flow_filelinking.yaml0000644000000000000000000001243014704467665014005 0ustar rootroot- parameter: inputfeatures target: inputfeatures/EVGE-BOR-MZIO_quant.csv - parameter: inputspectra target: inputspectra/EVGE-BOR-MZIO.mgf - parameter: metadata_filename target: metadata_filename/Evge_metadata.csv - 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/CMMC-REFRAME-NEGATIVE-LIBRARY.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/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/MONA.mgf - parameter: input_libraries target: input_libraries/GNPS-NUTRI-METAB-FEM-POS.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/CMMC-REFRAME-POSITIVE-LIBRARY.mgf - parameter: input_libraries target: input_libraries/PHENOLICSDB.mgf - parameter: input_libraries target: input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf - parameter: input_libraries target: input_libraries/BERKELEY-LAB.mgf - parameter: input_libraries target: input_libraries/SUMNER.mgf - parameter: input_libraries target: input_libraries/CMMC-LIBRARY.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 - parameter: input_supplemental_edges target: input_supplemental_edges/EVGE-BOR-MZIO_edges_msannotation.csv input_libraries/0000755000000000000000000000000014704467665012772 5ustar rootroot././@LongLink0000644000000000000000000000015000000000000011576 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgfinput_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf0000777000000000000000000000000014704467665042156 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf0000777000000000000000000000000014704467665035564 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgfustar rootrootinput_libraries/PNNL-LIPIDS-NEGATIVE.mgf0000777000000000000000000000000014704467665033456 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf0000777000000000000000000000000014704467665034220 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgfustar rootrootinput_libraries/MASSBANK.mgf0000777000000000000000000000000014704467665030172 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgfustar rootrootinput_libraries/GNPS-FAULKNERLEGACY.mgf0000777000000000000000000000000014704467665033276 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgfustar rootrootinput_libraries/ELIXDB-LICHEN-DATABASE.mgf0000777000000000000000000000000014704467665033716 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgfustar rootrootinput_libraries/IQAMDB.mgf0000777000000000000000000000000014704467665027466 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgfustar rootrootinput_libraries/GNPS-LIBRARY.mgf0000777000000000000000000000000014704467665031316 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgfustar rootrootinput_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf0000777000000000000000000000000014704467665040162 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgfustar rootrootinput_libraries/GNPS-NIST14-MATCHES.mgf0000777000000000000000000000000014704467665033116 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgfustar rootrootinput_libraries/MASSBANKEU.mgf0000777000000000000000000000000014704467665030656 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgfustar rootrootinput_libraries/MIADB.mgf0000777000000000000000000000000014704467665027224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgfustar rootrootinput_libraries/LDB_POSITIVE.mgf0000777000000000000000000000000014704467665031442 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgfustar rootrootinput_libraries/MONA.mgf0000777000000000000000000000000014704467665027060 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgfustar rootrootinput_libraries/MCE-DRUG.mgf0000777000000000000000000000000014704467665030102 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MCE-DRUG.mgfustar rootrootinput_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf0000777000000000000000000000000014704467665037046 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgfustar rootrootinput_libraries/CASMI.mgf0000777000000000000000000000000014704467665027264 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgfustar rootrootinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf0000777000000000000000000000000014704467665036774 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgfustar rootrootinput_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf0000777000000000000000000000000014704467665035620 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgfustar rootrootinput_libraries/GNPS-IOBA-NHC.mgf0000777000000000000000000000000014704467665031346 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgfustar rootrootinput_libraries/BILELIB19.mgf0000777000000000000000000000000014704467665030224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgfustar rootrootinput_libraries/GNPS-EMBL-MCF.mgf0000777000000000000000000000000014704467665031352 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgfustar rootrootinput_libraries/RESPECT.mgf0000777000000000000000000000000014704467665030006 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgfustar rootrootinput_libraries/BMDMS-NP.mgf0000777000000000000000000000000014704467665030126 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgfustar rootrootinput_libraries/PNNL-LIPIDS-POSITIVE.mgf0000777000000000000000000000000014704467665033556 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf0000777000000000000000000000000014704467665035000 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgfustar rootrootinput_libraries/LEAFBOT.mgf0000777000000000000000000000000014704467665027724 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgfustar rootrootinput_libraries/CMMC-LIBRARY.mgf0000777000000000000000000000000014704467665031236 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgfustar rootrootinput_libraries/LDB_NEGATIVE.mgf0000777000000000000000000000000014704467665031342 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgfustar rootrootinput_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf0000777000000000000000000000000014704467665035774 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgfustar rootrootinput_libraries/PHENOLICSDB.mgf0000777000000000000000000000000014704467665031060 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgfustar rootrootinput_libraries/NEO-MSMS.mgf0000777000000000000000000000000014704467665030170 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgfustar rootrootinput_libraries/BERKELEY-LAB.mgf0000777000000000000000000000000014704467665031170 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf0000777000000000000000000000000014704467665034300 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgfustar rootrootinput_libraries/PSU-MSMLS.mgf0000777000000000000000000000000014704467665030474 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf0000777000000000000000000000000014704467665034776 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgfustar rootrootinput_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf0000777000000000000000000000000014704467665035224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-MISC.mgf0000777000000000000000000000000014704467665033724 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgfustar rootrootinput_libraries/MMV_POSITIVE.mgf0000777000000000000000000000000014704467665031536 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf0000777000000000000000000000000014704467665040126 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgfustar rootrootinput_libraries/MSNLIB-NEGATIVE.mgf0000777000000000000000000000000014704467665032144 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgfustar rootrootinput_libraries/GNPS-SCIEX-LIBRARY.mgf0000777000000000000000000000000014704467665033040 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgfustar rootrootinput_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf0000777000000000000000000000000014704467665036562 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf0000777000000000000000000000000014704467665034474 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgfustar rootrootinput_libraries/SUMNER.mgf0000777000000000000000000000000014704467665027616 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgfustar rootrootinput_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf0000777000000000000000000000000014704467665034046 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgfustar rootrootinput_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf0000777000000000000000000000000014704467665036074 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-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.mgf0000777000000000000000000000000014704467665042745 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf0000777000000000000000000000000014704467665034414 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgfustar rootrootinput_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf0000777000000000000000000000000014704467665035534 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/MMV_NEGATIVE.mgf0000777000000000000000000000000014704467665031436 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgfustar rootrootinput_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf0000777000000000000000000000000014704467665034576 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgfustar rootrootinput_libraries/XANTHONES-DB.mgf0000777000000000000000000000000014704467665031260 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgfustar rootrootinput_libraries/UM-NPDC.mgf0000777000000000000000000000000014704467665027702 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgfustar rootrootinput_libraries/HCE-CELL-LYSATE-LIPIDS.mgf0000777000000000000000000000000014704467665033766 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgfustar rootrootinput_libraries/HMDB.mgf0000777000000000000000000000000014704467665027020 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgfustar rootrootinput_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf0000777000000000000000000000000014704467665034714 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-N-ACYL-LIPIDS-MASSQL.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.mgf0000777000000000000000000000000014704467665043045 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf0000777000000000000000000000000014704467665035566 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgfustar rootrootinput_libraries/GNPS-MSMLS.mgf0000777000000000000000000000000014704467665030674 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf0000777000000000000000000000000014704467665040226 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgfustar rootrootinput_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf0000777000000000000000000000000014704467665035642 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/MSNLIB-POSITIVE.mgf0000777000000000000000000000000014704467665032244 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgfustar rootrootinput_raw_spectra/0000755000000000000000000000000014704467665013330 5ustar rootrootinput_supplemental_edges/0000755000000000000000000000000014704467665014676 5ustar rootrootinput_supplemental_edges/EVGE-BOR-MZIO_edges_msannotation.csv0000777000000000000000000000000014704467665041055 2/data/nf_data/useruploads/nklmlc2/Evge/EVGE-BOR-MZIO_edges_msannotation.csvustar rootrootinputfeatures/0000755000000000000000000000000014704467665012475 5ustar rootrootinputfeatures/EVGE-BOR-MZIO_quant.csv0000777000000000000000000000000014704467665031372 2/data/nf_data/useruploads/nklmlc2/Evge/EVGE-BOR-MZIO_quant.csvustar rootrootinputspectra/0000755000000000000000000000000014704467665012320 5ustar rootrootinputspectra/EVGE-BOR-MZIO.mgf0000777000000000000000000000000014704467665026531 2/data/nf_data/useruploads/nklmlc2/Evge/EVGE-BOR-MZIO.mgfustar rootrootjob_dag.html0000644000000000000000000002217414704542654012050 0ustar rootroot Nextflow Cytoscape.js with Dagre

Nextflow Cytoscape.js with Dagre

job_parameters.yaml0000644000000000000000000000272414704467665013465 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: a9a85daccf72416486fe75743dc1fc08 OMETAUSER: nklmlc2 create_time: 2024-10-18 07:24:39 PDT-0700 description: onosma_sp_1 featurefindingtool: MZMINE fragment_tolerance: '0.02' input_libraries: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/input_libraries input_raw_spectra: NO_FILE input_supplemental_edges: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/input_supplemental_edges inputfeatures: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/inputfeatures/EVGE-BOR-MZIO_quant.csv inputspectra: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/inputspectra library_analog_max_shift: '500' library_analog_search: '1' library_min_cosine: '0.7' library_min_matched_peaks: '4' library_topk: '1' metadata_filename: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/metadata_filename/Evge_metadata.csv networking_max_shift: '500' networking_min_cosine: '0.7' networking_min_matched_peaks: '4' normalization: None pm_tolerance: '0.02' precursor_filter: '1' publishdir: /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08 task: a9a85daccf72416486fe75743dc1fc08 topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2024.09.17;WORKFLOW:2024.10.09 workflowname: feature_based_molecular_networking_workflow job_report.html0000644000000000000000001373457414704542654012652 0ustar rootroot [jolly_caravaggio] Nextflow Workflow Report

Nextflow workflow report

[jolly_caravaggio]

Workflow execution completed successfully!
Run times
18-Oct-2024 19:59:07 - 18-Oct-2024 20:31:24 (duration: 32m 17s)
  141 succeeded  
  0 cached  
  0 ignored  
  0 failed  
Nextflow command
nextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_parameters.yaml -w /data/nf_data/server/nf_work/a9a85daccf72416486fe75743dc1fc08 -with-report /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/a9a85daccf72416486fe75743dc1fc08' -c /app/launchserver/nextflow.config
CPU-Hours
2.7
Launch directory
/data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08
Work directory
/data/nf_data/server/nf_work/a9a85daccf72416486fe75743dc1fc08
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
b2294b5da7da718e7287b0a5638fc910
Workflow session
2074d43a-3c1f-4402-9593-167170054ee1
Workflow profile
standard
Nextflow version
version 21.10.0, build 5640 (11-11-2021 18:27 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.html0000644000000000000000000107713214704542654013130 0ustar rootroot

Processes execution timeline

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

metadata_filename/0000755000000000000000000000000014704467665013217 5ustar rootrootmetadata_filename/Evge_metadata.csv0000777000000000000000000000000014704467665031104 2/data/nf_data/useruploads/nklmlc2/Evge/Evge_metadata.csvustar rootrootnextflow_stdout.log0000644000000000000000000035656214704542655013564 0ustar rootrootN E X T F L O W ~ version 21.10.0 Launching `/app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf` [jolly_caravaggio] - revision: b2294b5da7 [- ] process > filesummary - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary - [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary - [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary [ 0%] 0 of 1 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (5) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [43/4aa569] process > summaryLibrary (54) [ 0%] 0 of 33 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (13) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [fa/dee29f] process > summaryLibrary (64) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (14) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [d9/102e81] process > summaryLibrary (14) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (22) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [ba/23102c] process > summaryLibrary (57) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (30) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [78/7e134a] process > summaryLibrary (48) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (38) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [47/1e3afc] process > summaryLibrary (33) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (42) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [fc/042ecc] process > summaryLibrary (2) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (44) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [4e/42562f] process > summaryLibrary (26) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (47) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [3c/213f1b] process > summaryLibrary (7) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (50) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [3b/e9b95c] process > summaryLibrary (20) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (54) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [34/7822df] process > summaryLibrary (3) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (56) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [8e/993cdd] process > summaryLibrary (32) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (59) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [ac/5e77dc] process > summaryLibrary (59) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (61) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [cc/062b30] process > summaryLibrary (8) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (64) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [9c/a86f69] process > summaryLibrary (6) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [1c/901a6e] process > summaryLibrary (29) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [1c/901a6e] process > summaryLibrary (29) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [cc/81d6c8] process > summaryLibrary (37) [ 1%] 1 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [43/4aa569] process > summaryLibrary (54) [ 3%] 2 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [d7/48031f] process > summaryLibrary (60) [ 6%] 4 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [d0/7c9294] process > summaryLibrary (21) [ 10%] 7 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [f4/ba945f] process > summaryLibrary (63) [ 15%] 10 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [99/b3d18d] process > summaryLibrary (17) [ 17%] 11 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [41/658b05] process > summaryLibrary (11) [ 20%] 13 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [a8/73adea] process > summaryLibrary (52) [ 23%] 15 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [74/fa1c2e] process > summaryLibrary (46) [ 26%] 17 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [47/1e3afc] process > summaryLibrary (33) [ 29%] 19 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [ba/23102c] process > summaryLibrary (57) [ 37%] 24 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [98/00b5a1] process > summaryLibrary (28) [ 42%] 27 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [ac/7133f9] process > summaryLibrary (13) [ 50%] 32 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [39/59be3c] process > summaryLibrary (12) [ 60%] 39 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [4c/7e784a] process > filesummary (1) [ 0%] 0 of 1 [f0/66a6ed] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [b2/fa3645] process > summaryLibrary (55) [ 78%] 50 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [0a/d84e11] process > summaryLibrary (53) [ 81%] 52 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [59/1378ff] process > summaryLibrary (5) [ 87%] 56 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [07/bf5220] process > summaryLibrary (42) [ 90%] 58 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [4e/42562f] process > summaryLibrary (26) [ 93%] 60 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [fa/dee29f] process > summaryLibrary (64) [ 95%] 61 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [6f/9000b7] process > summaryLibrary (25) [ 96%] 62 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (70) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [- ] process > librarySearchData - [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (74) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [41/29c096] process > librarySearchData (31) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (89) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [6e/2631bc] process > librarySearchData (27) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (112) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (128) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [f7/8a8ba2] process > librarySearchData (11) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (130) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [27/2e522d] process > librarySearchData (64) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (133) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [3f/a646d0] process > librarySearchData (20) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (135) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (135) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (135) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [- ] process > calculatePairs [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [eb/c9e870] process > summaryLibrary (9) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 0%] 0 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [e0/a2e2e7] process > librarySearchData (36) [ 1%] 1 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [62/adc2a4] process > librarySearchData (61) [ 3%] 2 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [69/8f7af2] process > librarySearchData (48) [ 6%] 4 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [c2/7beac9] process > librarySearchData (34) [ 7%] 5 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [2b/6fc26c] process > librarySearchData (33) [ 10%] 7 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [fb/1e0c1d] process > librarySearchData (35) [ 12%] 8 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [1c/310980] process > librarySearchData (7) [ 28%] 18 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [fa/22bcf1] process > librarySearchData (63) [ 29%] 19 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [6c/73b568] process > librarySearchData (22) [ 32%] 21 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [44/f40665] process > librarySearchData (29) [ 35%] 23 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [6e/2631bc] process > librarySearchData (27) [ 39%] 25 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [e0/50a21b] process > librarySearchData (55) [ 40%] 26 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [f1/f37a75] process > librarySearchData (60) [ 42%] 27 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [05/444cf7] process > librarySearchData (10) [ 45%] 29 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [ 0%] 0 of 1 [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [05/444cf7] process > librarySearchData (10) [ 45%] 29 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [35/3e039e] process > librarySearchData (40) [ 46%] 30 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [08/fe3c06] process > librarySearchData (12) [ 48%] 31 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [d2/993937] process > librarySearchData (62) [ 50%] 32 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [4d/f9c8af] process > librarySearchData (38) [ 51%] 33 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [b1/821287] process > librarySearchData (15) [ 53%] 34 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [84/b0cd69] process > librarySearchData (28) [ 54%] 35 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [b0/12e119] process > librarySearchData (56) [ 56%] 36 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [fb/329ebe] process > librarySearchData (44) [ 57%] 37 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [f1/e090bb] process > librarySearchData (30) [ 59%] 38 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [bc/fca3f7] process > librarySearchData (45) [ 60%] 39 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [ba/b6e315] process > librarySearchData (39) [ 62%] 40 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [40/d0946f] process > librarySearchData (50) [ 64%] 41 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [a8/707695] process > librarySearchData (46) [ 65%] 42 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [1b/dfe3f6] process > librarySearchData (59) [ 67%] 43 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [f0/1c8791] process > librarySearchData (23) [ 68%] 44 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [dc/1f08b8] process > librarySearchData (19) [ 70%] 45 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [22/afdd72] process > librarySearchData (32) [ 71%] 46 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [89/605524] process > librarySearchData (4) [ 73%] 47 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [2b/040b04] process > librarySearchData (1) [ 75%] 48 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [e0/19af42] process > librarySearchData (41) [ 76%] 49 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [f7/8a8ba2] process > librarySearchData (11) [ 78%] 50 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [3f/a646d0] process > librarySearchData (20) [ 79%] 51 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [ae/881311] process > librarySearchData (51) [ 81%] 52 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [10/4b546b] process > librarySearchData (26) [ 82%] 53 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [a8/3747c1] process > librarySearchData (3) [ 84%] 54 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [75/707605] process > librarySearchData (43) [ 85%] 55 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [0f/eb8d3d] process > librarySearchData (16) [ 87%] 56 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [8c/52d1c4] process > librarySearchData (8) [ 89%] 57 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [41/29c096] process > librarySearchData (31) [ 90%] 58 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/a7a97a] process > librarySearchData (25) [ 92%] 59 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [28/58624f] process > librarySearchData (5) [ 93%] 60 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [91/93b886] process > librarySearchData (58) [ 95%] 61 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [ad/3ed7e4] process > librarySearchData (14) [ 96%] 62 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [27/2e522d] process > librarySearchData (64) [ 98%] 63 of 64 [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [- ] process > librarymergeResults - [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (138) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [ 0%] 0 of 1 [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (139) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1 [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (139) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (140) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [26/24986f] process > enrichClusterSummary (1) [ 0%] 0 of 1 [- ] process > createNetworkGraphML - [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [26/24986f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [08/63bb34] process > createNetworkGraphML (1) [ 0%] 0 of 1 [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [26/24986f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [08/63bb34] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [4c/7e784a] process > filesummary (1) [100%] 1 of 1 ✔ [f0/66a6ed] process > quantification_table_reform... [100%] 1 of 1 ✔ [22/d0d29b] process > filter_spectra (1) [100%] 1 of 1 ✔ [5f/bc31c5] process > librarySearchData (24) [100%] 64 of 64 ✔ [6a/358a01] process > librarymergeResults [100%] 1 of 1 ✔ [62/828c78] process > summaryLibrary (15) [100%] 64 of 64 ✔ [08/e3e188] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [8d/99376d] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [97/6a49ce] process > calculatePairs (1) [100%] 1 of 1 ✔ [d3/393a35] process > filterNetwork (1) [100%] 1 of 1 ✔ [f6/4fd2f7] process > createMetadataFile [100%] 1 of 1 ✔ [2a/3e72aa] process > calculateGroupings (1) [100%] 1 of 1 ✔ [26/24986f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [08/63bb34] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ [a1/b143c9] process > createTallRawData (1) [100%] 1 of 1 ✔ Completed at: 18-Oct-2024 20:31:26 Duration : 32m 18s CPU hours : 2.7 Succeeded : 141 nf_cmd.sh0000644000000000000000000000120114704467665011353 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_parameters.yaml -w /data/nf_data/server/nf_work/a9a85daccf72416486fe75743dc1fc08 -with-report /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_dag.html -with-weblog http://localhost:4000/nf_weblog/a9a85daccf72416486fe75743dc1fc08 -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014704542644011611 5ustar rootrootnf_output/PSU-MSMLS.mgf.tsv0000644000000000000000000000000114704537050014441 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv0000644000000000000000000000000114704537053016346 0ustar rootroot nf_output/HCE-CELL-LYSATE-LIPIDS.mgf.tsv0000644000000000000000000000000114704537052016200 0ustar rootroot nf_output/temp_pairs/0000755000000000000000000000000014704537102013745 5ustar rootrootnf_output/temp_pairs/0.params_aligns.tsv0000644000000000000000000011730314704537102017466 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 8 17 0.000 0.000 0.8932 0.8525 1 12 4660 -0.000 0.000 0.8143 0.5292 1 27 4710 0.001 0.000 0.7815 0.5244 1 42 199 -53.943 0.000 0.7897 0.7575 1 393 1110 47.983 0.000 0.8391 0.7426 1 393 1671 63.977 0.000 0.7775 0.5375 1 393 4244 -162.140 0.000 0.7095 0.5058 1 393 9614 -161.226 0.000 0.7094 0.4535 1 430 522 -14.016 0.000 0.9379 0.7447 1 430 1108 -11.965 0.000 0.8325 0.5544 1 430 1856 -11.964 0.000 0.7057 0.3566 1 522 640 2.052 0.000 0.7119 0.4391 1 522 1108 2.051 0.000 0.8314 0.5901 1 522 1856 2.052 0.000 0.7463 0.4237 1 522 10464 -30.059 0.000 0.7563 0.3443 1 548 1245 -0.000 0.000 0.9434 0.7645 1 640 1108 -0.001 0.000 0.8523 0.6630 1 640 1856 -0.000 0.000 0.8866 0.7068 1 694 917 0.000 0.000 0.8751 0.7542 1 809 843 -270.155 0.000 0.8767 0.4823 1 818 1740 148.059 0.000 0.8653 0.4570 1 818 2214 -171.995 0.000 0.7388 0.2454 1 818 2215 -174.010 0.000 0.8878 0.4912 1 818 2228 182.101 0.000 0.8315 0.5680 1 818 2229 180.087 0.000 0.9016 0.6483 1 818 2363 182.100 0.000 0.8310 0.5284 1 818 2364 180.087 0.000 0.7104 0.6109 1 818 2449 180.085 0.000 0.8738 0.4975 1 818 2473 182.099 0.000 0.8390 0.5177 1 818 2805 196.083 0.000 0.7052 0.3636 1 818 3470 196.083 0.000 0.8721 0.5475 1 819 846 -30.010 0.000 0.7496 0.6485 1 961 4995 133.986 0.000 0.7852 0.4910 1 1108 1856 0.001 0.000 0.8283 0.6262 1 1483 1740 94.006 0.000 0.7580 0.4484 1 1483 2127 -228.062 0.000 0.7099 0.3213 1 1483 2214 -226.048 0.000 0.7146 0.5043 1 1483 2215 -228.062 0.000 0.7435 0.4185 1 1483 2228 128.049 0.000 0.7632 0.4379 1 1483 2229 126.034 0.000 0.7564 0.3930 1 1483 2363 128.048 0.000 0.7748 0.4424 1 1483 2449 126.033 0.000 0.7527 0.3496 1 1483 2473 128.047 0.000 0.7798 0.4945 1 1483 2805 142.031 0.000 0.7479 0.4238 1 1483 3470 142.030 0.000 0.7026 0.3565 1 1718 3648 148.042 0.000 0.7591 0.4589 1 1718 7267 -82.037 0.000 0.7518 0.5432 1 1718 7377 -82.036 0.000 0.7323 0.5154 1 1740 1746 32.027 0.000 0.7733 0.5720 1 1740 2127 -322.068 0.000 0.7827 0.4933 1 1740 2214 -320.054 0.000 0.7575 0.4529 1 1740 2215 -322.068 0.000 0.8250 0.5527 1 1740 2228 34.042 0.000 0.8935 0.6588 1 1740 2229 32.028 0.000 0.9070 0.5967 1 1740 2363 34.042 0.000 0.8962 0.6179 1 1740 2364 32.028 0.000 0.7880 0.5388 1 1740 2449 32.027 0.000 0.8572 0.4981 1 1740 2473 34.040 0.000 0.8947 0.6179 1 1740 2805 48.024 0.000 0.7176 0.4153 1 1740 3470 48.024 0.000 0.8711 0.5401 1 1746 2228 2.016 0.000 0.7966 0.6365 1 1746 2229 0.001 0.000 0.8010 0.6508 1 1746 2363 2.015 0.000 0.7889 0.6132 1 1746 2364 0.001 0.000 0.7659 0.6016 1 1746 2473 2.014 0.000 0.7895 0.6052 1 1746 3045 18.014 0.000 0.7044 0.5975 1 1746 3470 15.997 0.000 0.7318 0.5261 1 2127 2214 2.014 0.000 0.8776 0.5060 1 2127 2215 -0.000 0.000 0.9131 0.5696 1 2127 2228 356.111 0.000 0.7460 0.5668 1 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15.995 11445 12491 19 0.8967 -4.032 12011 12491 19 0.8227 -26.014 12230 12491 19 0.9396 -26.016 11445 12011 19 0.7902 21.982 11445 12230 19 0.9185 21.984 12011 12230 19 0.8483 0.002 10959 11800 20 0.7167 1.979 10961 11800 20 0.7217 69.968 10959 11664 20 0.805 1.979 10960 10961 20 0.78 -10.028 10959 10961 20 0.7186 -67.989 819 846 21 0.7496 -30.010 3583 3606 22 0.7363 0.001 4214 4411 23 0.7217 0.001 5535 5539 24 0.7402 -2.016 8927 8974 25 0.7022 -0.001 11607 11958 26 0.8107 44.026 11607 12820 26 0.7359 -17.968 2498 4952 27 0.8485 -23.017 7988 8005 28 0.7216 0.002 11262 11333 29 0.8255 0.000 11333 11401 29 0.7911 -35.976 11262 11401 29 0.7828 -35.976 5759 6165 30 0.751 -4.028 5833 6165 30 0.8194 0.001 6165 7379 30 0.7084 -14.018 8476 8766 31 0.7228 122.059 8643 8766 31 0.7289 2.040 8766 8898 31 0.8286 -2.037 8153 8219 31 0.784 0.004 8212 8219 31 0.7252 2.018 8219 8424 31 0.7102 -20.029 8219 8428 31 0.7215 0.004 8219 8481 31 0.7896 -0.004 8163 8212 31 0.8336 2.018 8163 8238 31 0.8074 43.992 8163 8375 31 0.8836 0.001 8163 8424 31 0.7658 -15.993 8163 8434 31 0.7331 42.989 8163 8469 31 0.8889 -2.011 8163 8476 31 0.8056 43.992 8163 8482 31 0.8111 -3.018 8163 8506 31 0.7607 47.992 8163 9276 31 0.7213 13.982 8636 8678 31 0.8666 -0.001 8153 8481 31 0.7573 0.000 8428 8481 31 0.7676 -0.008 8212 8476 31 0.7189 41.974 8238 8476 31 0.7889 0.001 8375 8476 31 0.7321 43.991 8424 8476 31 0.7051 59.985 8434 8476 31 0.7131 1.003 8469 8476 31 0.8939 46.004 8476 8482 31 0.815 -47.010 8220 8482 31 0.7198 -46.007 8238 8482 31 0.8471 -47.009 8375 8482 31 0.7583 -3.019 8424 8482 31 0.7045 12.975 8434 8482 31 0.8014 -46.007 8469 8482 31 0.7454 -1.006 8482 9276 31 0.7404 16.999 8375 8678 31 0.7031 166.064 8212 8469 31 0.7719 -4.030 8238 8469 31 0.7918 -46.003 8375 8469 31 0.8386 -2.013 8424 8469 31 0.7072 13.982 8434 8469 31 0.7209 -45.000 8469 8506 31 0.7503 50.003 8212 8424 31 0.7139 -18.011 8212 8375 31 0.9141 -2.017 8212 8428 31 0.7417 2.022 8212 8474 31 0.7759 43.991 8212 8506 31 0.834 45.973 8238 8375 31 0.7572 -43.990 8238 9276 31 0.7256 -30.010 8643 8898 31 0.7017 0.002 8218 8474 31 0.7113 -43.986 8375 8474 31 0.7649 46.008 8375 8506 31 0.8 47.990 8474 8506 31 0.7714 1.982 809 843 32 0.8767 -270.155 694 917 34 0.8751 0.000 11829 12232 35 0.7274 24.000 5288 5313 37 0.7761 0.000 42 199 38 0.7897 -53.943 4531 5420 39 0.9131 43.989 2745 5598 40 0.8554 -0.002 393 9614 41 0.7094 -161.226 393 1671 41 0.7775 63.977 393 4244 41 0.7095 -162.140 393 1110 41 0.8391 47.983 11878 12642 42 0.7003 -2.016 11986 13361 42 0.7955 21.984 12642 13361 42 0.76 24.000 11986 12642 42 0.8408 -2.016 8197 8816 43 0.7483 -15.994 8816 9810 43 0.8729 15.994 8197 9810 43 0.8322 0.000 7958 9740 44 0.7236 2.018 7958 9151 44 0.727 198.052 7947 7958 44 0.7595 21.981 2880 3161 45 0.732 0.002 11988 13034 46 0.7815 84.091 12155 13034 46 0.701 84.092 11988 12155 46 0.7124 -0.002 548 1245 47 0.9434 -0.000 4777 4824 48 0.7239 -0.002 5994 6067 49 0.7892 0.001 2252 2253 50 0.9288 -2.015 3387 4532 51 0.7029 15.994 10817 10947 52 0.7916 4.032 8 17 53 0.8932 0.000 12 4660 55 0.8143 -0.000 10283 10639 56 0.71 -0.002 7157 7305 57 0.7389 -0.001 9367 10009 58 0.7137 -14.018 4770 4994 59 0.7443 -0.000 nf_output/networking/params/0000755000000000000000000000000014704537064015263 5ustar rootrootnf_output/networking/params/0.params0000644000000000000000000000026214704537064016627 0ustar rootrootALIGNS_FORMAT=tsv MIN_MATCHED_PEAKS=4 TOLERANCE_PEAK=0.02 TOLERANCE_PM=0.02 PAIRS_MIN_COSINE=0.7 MAX_SHIFT=500.0 INPUT_SPECTRA_MS2=spectra_filtered.mgf IDX_START=0 IDX_END=13501 nf_output/networking/network.graphml0000644000000000000000000172415314704542653017062 0ustar rootroot 0.0 42869.137 0.0 0.0 42869.137 0.0 0.0 42869.137 0.0 269.0453 26.65 26.65 0 43 Apigenin 40eV Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 0.0 0.0 343728.75 0.0 0.0 343728.75 0.0 0.0 343728.75 742.1421 18.97 18.97 0 2 0.0 0.0 599247.06 0.0 0.0 599247.06 0.0 0.0 599247.06 395.0503 17.65 17.65 0 2 Massbank:PR305759 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 174447.6 517818.44 0.0 174447.6 517818.44 0.0 174447.6 517818.44 311.0755 4.66 4.66 0 45 2-HBA O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+ 0.0 0.0 129182.44 0.0 0.0 129182.44 0.0 0.0 129182.44 391.1027 12.53 12.53 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 269.045 32.3 32.3 0 43 Apigenin 40eV Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 0.0 0.0 513702.38 0.0 0.0 513702.38 0.0 0.0 513702.38 537.0808 33.6 33.6 0 56 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H 0.0 0.0 89156.38 0.0 0.0 89156.38 0.0 0.0 89156.38 737.1117 24.96 24.96 0 44 0.0 0.0 444426.75 0.0 0.0 444426.75 0.0 0.0 444426.75 673.3218 35.2 35.2 0 52 Griseofulvin COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 0.0 0.0 38590.633 0.0 0.0 38590.633 0.0 0.0 38590.633 371.0769 29.56 29.56 0 11 Massbank:PR307093 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 208638.25 0.0 0.0 208638.25 0.0 0.0 208638.25 343.0838 24.01 24.01 0 2 Massbank:PR305746 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 7913136.5 0.0 0.0 7913136.5 0.0 0.0 7913136.5 0.0 0.0 593.1487 8.25 8.25 0 1 Massbank:PR306110 Kaempferol-3-O-rhamnoside CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3 0.0 50054.945 0.0 0.0 50054.945 0.0 0.0 50054.945 0.0 160.039 12.02 12.02 0 27 4-QUINOLINECARBOXYLIC ACID C1=CC2=C(C=C1)N=CC=C2C(=O)O "InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)" 0.0 32427.988 0.0 0.0 32427.988 0.0 0.0 32427.988 0.0 397.1137 21.95 21.95 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 265176.2 0.0 0.0 265176.2 0.0 0.0 265176.2 0.0 0.0 707.1837 3.2 3.2 0 1 Massbank:FIO00935 Cynarine Oc(c1)c(O)cc(C=CC(=O)O[C@@H]([C@@H](O)2)C[C@@](OC(=O)C=Cc(c3)cc(O)c(O)c3)(C(O)=O)C[C@@H](O)2)c1 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 74808.34 0.0 0.0 74808.34 0.0 0.0 74808.34 0.0 0.0 357.059 18.44 18.44 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 149468.47 0.0 0.0 149468.47 0.0 0.0 149468.47 661.1354 15.0 15.0 0 4 Massbank:PR305598 Kaempferol-3-O-robinoside-7-O-rhamnoside CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 0.0 0.0 2930206.0 0.0 0.0 2930206.0 0.0 0.0 2930206.0 339.1313 2.08 2.08 0 41 ReSpect:PT205430 D-Sorbitol|D-Sorbit|D-Glucitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbol|Cystosol|Glucarine|Diakarmon|Esasorb|Sorbol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol C(C(C(C(C(CO)O)O)O)O)O 1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 177.0767 2.13 2.13 0 47 Nimodipine nan nan 140602.55 127078.77 0.0 140602.55 127078.77 0.0 140602.55 127078.77 0.0 608.3175 38.3 38.3 0 35 Ser-bMCA C[C@H](CCC(N[C@H](C(O)=O)CO)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO7/c1-14(4-7-21(31)28-20(13-29)25(34)35)16-5-6-17-22-18(9-11-26(16,17)2)27(3)10-8-15(30)12-19(27)23(32)24(22)33/h14-20,22-24,29-30,32-33H,4-13H2,1-3H3,(H,28,31)(H,34,35)/t14-,15-,16-,17+,18+,19+,20?,22+,23+,24-,26-,27-/m1/s1 0.0 0.0 208762.39 0.0 0.0 208762.39 0.0 0.0 208762.39 564.3284 37.38 37.38 0 19 Massbank:PR309158 LPC 18:2 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 0.0 613433.4 0.0 0.0 613433.4 0.0 0.0 613433.4 0.0 395.0517 18.79 18.79 0 2 Massbank:PR305746 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 218594.56 0.0 0.0 218594.56 0.0 0.0 218594.56 0.0 0.0 290.0894 2.55 2.55 0 10 Massbank:PR309145 N-Fructosyl isoleucine O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) 0.0 0.0 91059.09 0.0 0.0 91059.09 0.0 0.0 91059.09 179.0334 17.88 17.88 0 11 PYROCATECHUIC ACID O=C(O)c1cccc(O)c1O InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) 46787.605 0.0 0.0 46787.605 0.0 0.0 46787.605 0.0 0.0 635.1102 14.34 14.34 0 1 baicalin O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 918565.94 0.0 568990.56 918565.94 0.0 568990.56 918565.94 0.0 568990.56 351.0737 2.96 2.96 0 1 Spectral Match to Chlorogenic acid from NIST14 nan nan 549641.3 308965.2 0.0 549641.3 308965.2 0.0 549641.3 308965.2 0.0 137.022 3.91 3.91 0 40 10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione O=C1OC2=CC=C3C(=O)CC4(OC3=C2C(C5=CC=C(OCC6=NC=CN6C)C(OC)=C5)C1)CCCCC4 InChI=1S/C29H30N2O6/c1-31-13-12-30-25(31)17-35-22-8-6-18(14-24(22)34-2)20-15-26(33)36-23-9-7-19-21(32)16-29(10-4-3-5-11-29)37-28(19)27(20)23/h6-9,12-14,20H,3-5,10-11,15-17H2,1-2H3 0.0 0.0 348785.3 0.0 0.0 348785.3 0.0 0.0 348785.3 495.2531 39.1 39.1 0 26 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 0.0 0.0 1480046.6 0.0 0.0 1480046.6 0.0 0.0 1480046.6 177.0763 1.61 1.61 0 47 Erythritol - 30.0 eV C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 746714.8 0.0 0.0 746714.8 0.0 0.0 746714.8 0.0 0.0 609.1438 6.54 6.54 0 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 361.1638 35.65 35.65 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 0.0 55495.53 0.0 0.0 55495.53 0.0 0.0 55495.53 549.0655 28.33 28.33 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 0.0 288780.47 0.0 0.0 288780.47 0.0 0.0 288780.47 0.0 671.1394 26.77 26.77 0 31 0.0 0.0 699221.5 0.0 0.0 699221.5 0.0 0.0 699221.5 193.0495 14.87 14.87 0 2 TAK-041 CC(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 "InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1" 0.0 48382.77 0.0 0.0 48382.77 0.0 0.0 48382.77 0.0 463.0886 20.14 20.14 0 1 Spectral Match to Cyanidin 3-galactoside cation from NIST14 nan nan 26328.768 0.0 0.0 26328.768 0.0 0.0 26328.768 0.0 0.0 607.1268 8.71 8.71 0 1 Massbank:PR306387 Quercetin-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 282371.38 0.0 0.0 282371.38 0.0 0.0 282371.38 0.0 0.0 613.1278 16.29 16.29 0 1 Apiin - 50eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 0.0 0.0 496106.62 0.0 0.0 496106.62 0.0 0.0 496106.62 799.2643 14.3 14.3 0 14 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 0.0 566099.44 0.0 0.0 566099.44 0.0 0.0 566099.44 0.0 715.1296 27.22 27.22 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 1159505.6 0.0 0.0 1159505.6 0.0 0.0 1159505.6 0.0 0.0 705.17 2.93 2.93 0 1 19870-46-3 O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1" 0.0 161711.17 343610.97 0.0 161711.17 343610.97 0.0 161711.17 343610.97 463.0873 12.24 12.24 0 1 Massbank:PR306741 Quercetin-3-O-xyloside OC1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O 1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2 0.0 784407.8 0.0 0.0 784407.8 0.0 0.0 784407.8 0.0 447.091 17.62 17.62 0 1 Massbank:PR305718 Luteolin-4'-O-glucoside OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 67087.2 0.0 0.0 67087.2 0.0 0.0 67087.2 0.0 0.0 661.1367 7.92 7.92 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 0.0 0.0 1962149.1 0.0 0.0 1962149.1 0.0 0.0 1962149.1 719.1637 18.9 18.9 0 2 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 130620.96 0.0 0.0 130620.96 0.0 0.0 130620.96 538.3127 37.1 37.1 0 19 0.0 614589.4 0.0 0.0 614589.4 0.0 0.0 614589.4 0.0 719.158 18.01 18.01 0 2 ROSMARINIC ACID O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+ 40797.88 0.0 0.0 40797.88 0.0 0.0 40797.88 0.0 0.0 591.1354 9.15 9.15 0 1 luteolin 4'-O-glucoside O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 132344.08 0.0 0.0 132344.08 0.0 0.0 132344.08 552.2857 36.81 36.81 0 19 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 353.0895 2.48 2.48 0 1 Chlorogenic Acid 0.0 0.0 1604559.2 0.0 0.0 1604559.2 0.0 0.0 1604559.2 493.1139 21.14 21.14 0 13 Lithospermic acid O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 133.015 1.91 1.91 0 34 L-threonic acid - 40.0 eV C([C@@H]([C@H](C(=O)O)O)O)O InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1 0.0 0.0 153136.88 0.0 0.0 153136.88 0.0 0.0 153136.88 713.1121 32.02 32.02 0 44 91326.516 0.0 0.0 91326.516 0.0 0.0 91326.516 0.0 0.0 651.1062 9.89 9.89 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 0.0 123054.84 0.0 0.0 123054.84 0.0 0.0 123054.84 809.2474 11.51 11.51 0 48 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 562.3139 36.82 36.82 0 19 Massbank:PR309160 LPC 18:1 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 0.0 159871.86 0.0 0.0 159871.86 0.0 0.0 159871.86 0.0 489.0918 28.79 28.79 0 8 NCGC00385737-01_C46H74O17_ CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC8OCC(O)C(O)C8O InChI=1S/C46H74O17/c1-41(2)12-14-46(40(57)63-38-34(55)30(51)25(49)19-59-38)15-13-44(6)21(22(46)16-41)8-9-28-43(5)17-23(47)36(42(3,4)27(43)10-11-45(28,44)7)62-39-35(56)32(53)31(52)26(61-39)20-60-37-33(54)29(50)24(48)18-58-37/h8,22-39,47-56H,9-20H2,1-7H3 0.0 0.0 1394199.0 0.0 0.0 1394199.0 0.0 0.0 1394199.0 707.1844 2.81 2.81 0 1 19870-46-3 O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1" 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 551.1173 29.12 29.12 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 197013.31 0.0 0.0 197013.31 0.0 0.0 197013.31 0.0 0.0 896.1926 10.73 10.73 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 104430.98 0.0 112695.32 104430.98 0.0 112695.32 104430.98 0.0 112695.32 291.1956 37.31 37.31 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 593.1491 15.01 15.01 0 1 Massbank:PR306636 Kaempferol-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 0.0 0.0 364405.25 0.0 0.0 364405.25 0.0 0.0 364405.25 715.1306 25.04 25.04 0 44 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2 112123.73 0.0 0.0 112123.73 0.0 0.0 112123.73 0.0 0.0 505.0496 11.68 11.68 0 1 Massbank:PR305600 Luteolin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 52030.215 0.0 0.0 52030.215 0.0 0.0 52030.215 0.0 0.0 548.3398 31.65 31.65 0 41 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1 160490.83 0.0 0.0 160490.83 0.0 0.0 160490.83 0.0 0.0 643.1386 17.36 17.36 0 1 Diosmin - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 0.0 74566.1 0.0 0.0 74566.1 0.0 0.0 74566.1 0.0 369.1444 10.83 10.83 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 0.0 0.0 80917.35 0.0 0.0 80917.35 0.0 0.0 80917.35 177.0566 23.43 23.43 0 2 methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate COC(=O)C1c2c(oc3cc(CO)cc(O)c3c2=O)C=CC1O InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3 0.0 3554855.2 0.0 0.0 3554855.2 0.0 0.0 3554855.2 0.0 491.0967 27.99 27.99 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 105477.14 0.0 0.0 105477.14 0.0 0.0 105477.14 695.216 30.86 30.86 0 58 0.0 0.0 297543.75 0.0 0.0 297543.75 0.0 0.0 297543.75 755.2393 8.2 8.2 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 278937.28 0.0 0.0 278937.28 0.0 0.0 278937.28 0.0 0.0 337.0921 5.62 5.62 0 1 Chlorogenic acid - 40.0 eV c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 118593.92 0.0 0.0 118593.92 0.0 0.0 118593.92 0.0 353.1502 12.47 12.47 0 11 Massbank:PR306071 Sakuranetin COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1 1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 0.0 629051.56 0.0 0.0 629051.56 0.0 0.0 629051.56 0.0 593.1507 14.63 14.63 0 1 Massbank:PR306636 Kaempferol-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 225955.48 0.0 0.0 225955.48 0.0 0.0 225955.48 0.0 0.0 643.1385 17.72 17.72 0 1 Massbank:PR306337 Diosmetin-7-O-neohesperidoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 0.0 0.0 273758.78 0.0 0.0 273758.78 0.0 0.0 273758.78 491.0995 21.7 21.7 0 13 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid O=C(/C=C/c1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+ 0.0 201246.34 0.0 0.0 201246.34 0.0 0.0 201246.34 0.0 369.1448 12.02 12.02 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 85313.43 0.0 0.0 85313.43 0.0 0.0 85313.43 0.0 0.0 515.0784 10.68 10.68 0 1 afzelin C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 0.0 500005.84 0.0 0.0 500005.84 0.0 0.0 500005.84 0.0 395.0525 17.86 17.86 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 41979.67 0.0 0.0 41979.67 0.0 0.0 41979.67 0.0 625.1353 26.69 26.69 0 31 0.0 0.0 366384.66 0.0 0.0 366384.66 0.0 0.0 366384.66 641.1654 36.57 36.57 0 29 13920.6 0.0 0.0 13920.6 0.0 0.0 13920.6 0.0 0.0 255.8217 0.86 0.86 0 6 123006.94 0.0 0.0 123006.94 0.0 0.0 123006.94 0.0 0.0 351.0758 3.55 3.55 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 221021.77 0.0 0.0 221021.77 0.0 0.0 221021.77 0.0 0.0 313.0697 31.86 31.86 0 2 Isofraxidin O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 0.0 175652.3 0.0 0.0 175652.3 0.0 0.0 175652.3 0.0 582.3412 35.45 35.45 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 130729.06 164369.38 0.0 130729.06 164369.38 0.0 130729.06 164369.38 740.1295 26.74 26.74 0 3 0.0 162742.52 0.0 0.0 162742.52 0.0 0.0 162742.52 0.0 711.0986 27.49 27.49 0 31 Salvianolic acid B O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 507.0921 30.77 30.77 0 15 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 103480.336 0.0 0.0 103480.336 0.0 0.0 103480.336 0.0 0.0 651.1066 8.21 8.21 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 1918214.2 0.0 0.0 1918214.2 0.0 0.0 1918214.2 0.0 983.2024 28.51 28.51 0 8 147701.1 0.0 0.0 147701.1 0.0 0.0 147701.1 0.0 0.0 313.1171 13.33 13.33 0 12 688745.1 0.0 696354.25 688745.1 0.0 696354.25 688745.1 0.0 696354.25 411.1325 4.7 4.7 0 17 ellipticine N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 143141.16 0.0 0.0 143141.16 0.0 0.0 143141.16 0.0 0.0 313.0697 18.36 18.36 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 530.3015 38.29 38.29 0 19 PE(16:0/18:0); [M-H]- C39H77N1O8P1 nan nan 0.0 125891.77 123167.414 0.0 125891.77 123167.414 0.0 125891.77 123167.414 701.1493 30.57 30.57 0 31 855743.94 0.0 505746.7 855743.94 0.0 505746.7 855743.94 0.0 505746.7 411.1323 5.31 5.31 0 17 ellipticine N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 0.0 0.0 141916.39 0.0 0.0 141916.39 0.0 0.0 141916.39 669.1212 27.46 27.46 0 31 Salvianolic acid B C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48) 0.0 95925.48 0.0 0.0 95925.48 0.0 0.0 95925.48 0.0 309.0397 15.23 15.23 0 24 KS IV O=C(O)c1cc(-c2cc(O)c(O)cc2)c2cc(O)c(O)cc2c1 InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) 0.0 0.0 280827.12 0.0 0.0 280827.12 0.0 0.0 280827.12 623.1635 22.96 22.96 0 1 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 67137.4 101950.09 0.0 67137.4 101950.09 0.0 67137.4 101950.09 0.0 487.0655 9.61 9.61 0 8 88144.58 0.0 0.0 88144.58 0.0 0.0 88144.58 0.0 0.0 363.1461 5.5 5.5 0 11 Methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 0.0 251780.0 98451.22 0.0 251780.0 98451.22 0.0 251780.0 98451.22 369.1444 12.16 12.16 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 0.0 0.0 67304.93 0.0 0.0 67304.93 0.0 0.0 67304.93 381.0587 19.05 19.05 0 18 Neochlorogenic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 0.0 33000.332 0.0 0.0 33000.332 0.0 0.0 33000.332 0.0 181.0122 10.13 10.13 0 39 4-HYDROXYBENZOATE OC(=O)C1=CC=C(O)C=C1 "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" 1504402.2 0.0 0.0 1504402.2 0.0 0.0 1504402.2 0.0 0.0 577.1522 14.89 14.89 0 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 76888.14 0.0 0.0 76888.14 0.0 0.0 76888.14 0.0 0.0 635.1104 14.89 14.89 0 1 Ambocin O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1 0.0 0.0 152435.16 0.0 0.0 152435.16 0.0 0.0 152435.16 313.0677 17.8 17.8 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 84520.36 84354.375 0.0 84520.36 84354.375 0.0 84520.36 84354.375 0.0 335.0755 4.46 4.46 0 1 MEGxp0_001651 (Chimeric precursor selection) CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) 65439.844 0.0 100830.234 65439.844 0.0 100830.234 65439.844 0.0 100830.234 653.1508 22.55 22.55 0 8 NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5 InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 146468.48 0.0 0.0 146468.48 0.0 0.0 146468.48 151.039 13.24 13.24 0 11 4-HYDROXYBENZALDEHYDE C1=CC(=CC=C1C=O)O "InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H" 806210.5 0.0 713405.56 806210.5 0.0 713405.56 806210.5 0.0 713405.56 653.3741 38.02 38.02 0 9 2246697.5 0.0 0.0 2246697.5 0.0 0.0 2246697.5 0.0 0.0 707.1846 2.93 2.93 0 1 Chlorogenic Acid 95269.945 0.0 0.0 95269.945 0.0 0.0 95269.945 0.0 0.0 651.1063 8.57 8.57 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 134773.06 0.0 0.0 134773.06 0.0 0.0 134773.06 0.0 513.0789 28.63 28.63 0 8 0.0 0.0 227817.75 0.0 0.0 227817.75 0.0 0.0 227817.75 591.3888 38.16 38.16 0 46 732162.8 0.0 0.0 732162.8 0.0 0.0 732162.8 0.0 0.0 613.1291 14.89 14.89 0 1 Apiin - 40eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 609.1434 10.07 10.07 0 1 Massbank:FIO00586 Quercitrin Oc(c4)c(O)cc(c4)C(O1)=C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)C(=O)c(c(O)2)c(cc(O)c2)1 1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 0.0 0.0 399765.34 0.0 0.0 399765.34 0.0 0.0 399765.34 739.1258 26.67 26.67 0 3 0.0 0.0 78662.81 0.0 0.0 78662.81 0.0 0.0 78662.81 711.0906 27.34 27.34 0 31 0.0 0.0 161927.45 0.0 0.0 161927.45 0.0 0.0 161927.45 850.1667 29.26 29.26 0 25 0.0 300727.94 59964.21 0.0 300727.94 59964.21 0.0 300727.94 59964.21 137.0236 14.76 14.76 0 39 1-Hydroxy-2-naphthoic acid O=C(O)c1ccc2ccccc2c1O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) 0.0 0.0 1574660.8 0.0 0.0 1574660.8 0.0 0.0 1574660.8 665.1696 30.04 30.04 0 1 Massbank:PR306224 Diosmetin-7-O-rutinoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 0.0 317891.44 0.0 0.0 317891.44 0.0 0.0 317891.44 0.0 467.073 16.94 16.94 0 1 0.0 0.0 523765.38 0.0 0.0 523765.38 0.0 0.0 523765.38 983.2819 20.5 20.5 0 57 93606.766 0.0 0.0 93606.766 0.0 0.0 93606.766 0.0 0.0 651.1094 7.92 7.92 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 283241.72 0.0 196422.56 283241.72 0.0 196422.56 283241.72 0.0 196422.56 561.3276 38.85 38.85 0 42 Massbank:PR309156 MGMG 16:3 O=C(OC(CO)COC1OC(CO)C(O)C(O)C1(O))CCCCCC=CCC=CCC=CCC 1S/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)33-19(16-26)18-32-25-24(31)23(30)22(29)20(17-27)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3 0.0 0.0 261279.67 0.0 0.0 261279.67 0.0 0.0 261279.67 549.2544 8.89 8.89 0 41 2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid CC/C=C\\CC1C(CC(=O)O)CCC1OC1OC(CO)C(O)C(O)C1O InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3- 228790.38 0.0 268885.25 228790.38 0.0 268885.25 228790.38 0.0 268885.25 723.379 37.39 37.39 0 9 158356.72 0.0 323992.28 158356.72 0.0 323992.28 158356.72 0.0 323992.28 489.0811 28.47 28.47 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 6416617.0 0.0 0.0 6416617.0 0.0 0.0 6416617.0 0.0 0.0 607.1609 16.41 16.41 0 1 Massbank:PR306260 Diosmetin-7-O-rutinoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 0.0 70429.516 0.0 0.0 70429.516 0.0 0.0 70429.516 0.0 737.1121 26.5 26.5 0 3 0.0 362993.53 0.0 0.0 362993.53 0.0 0.0 362993.53 0.0 983.202 27.87 27.87 0 8 70948.99 0.0 0.0 70948.99 0.0 0.0 70948.99 0.0 0.0 313.1165 12.5 12.5 0 12 0.0 0.0 81654.49 0.0 0.0 81654.49 0.0 0.0 81654.49 391.1029 11.01 11.01 0 2 ROSMARINIC ACID C1=C(/C=C/C(=O)O[C@H](CC2=CC=C(C(=C2)O)O)C(=O)O)C=C(C(=C1)O)O "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1" 0.0 0.0 642268.9 0.0 0.0 642268.9 0.0 0.0 642268.9 395.0534 18.97 18.97 0 2 Rosmarinic acid C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O DOUMFZQKYFQNTF-WUTVXBCWSA-N 1398300.5 0.0 0.0 1398300.5 0.0 0.0 1398300.5 0.0 0.0 609.1447 7.38 7.38 0 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 345708.1 174612.05 0.0 345708.1 174612.05 0.0 345708.1 174612.05 0.0 699.2249 1.82 1.82 0 32 1-hydroxyanthraquinone O=C1c2ccccc2C(=O)c2c(O)cccc21 InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H 477237.0 0.0 0.0 477237.0 0.0 0.0 477237.0 0.0 0.0 337.0916 3.99 3.99 0 1 3-O-Feruloylquinic acid COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 125718.25 0.0 119166.484 125718.25 0.0 119166.484 125718.25 0.0 119166.484 322.2004 34.1 34.1 0 10 N-ACETYL-L-LEUCINE O=C(N[C@H](C(=O)O)CC(C)C)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 3875673.8 0.0 0.0 3875673.8 0.0 0.0 3875673.8 0.0 0.0 290.0892 1.66 1.66 0 10 Massbank:PR308174 Indole-3-acetyl-L-leucine CC(C)CC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O 1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21) 0.0 0.0 128537.33 0.0 0.0 128537.33 0.0 0.0 128537.33 667.1027 10.27 10.27 0 1 Massbank:PR307512 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O 1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3 0.0 0.0 155647.14 0.0 0.0 155647.14 0.0 0.0 155647.14 591.3871 37.9 37.9 0 46 0.0 0.0 48876.906 0.0 0.0 48876.906 0.0 0.0 48876.906 549.0801 28.62 28.62 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 0.0 205797.17 222129.42 0.0 205797.17 222129.42 0.0 205797.17 222129.42 672.142 27.35 27.35 0 31 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 359.0753 18.65 18.65 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 752659.75 0.0 0.0 752659.75 0.0 0.0 752659.75 0.0 0.0 397.1158 4.18 4.18 0 17 635906.6 0.0 0.0 635906.6 0.0 0.0 635906.6 0.0 0.0 577.152 16.33 16.33 0 1 Massbank:PR306341 Pelargonidin-3-O-glucoside OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 39343.836 0.0 151623.44 39343.836 0.0 151623.44 39343.836 0.0 151623.44 391.1018 12.2 12.2 0 2 Massbank:PR305759 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 197404.23 0.0 0.0 197404.23 0.0 0.0 197404.23 0.0 565.3499 39.16 39.16 0 4 0.0 0.0 373186.72 0.0 0.0 373186.72 0.0 0.0 373186.72 537.1031 8.77 8.77 0 23 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 409.0681 29.55 29.55 0 11 Massbank:PR307117 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 383726.72 0.0 0.0 383726.72 0.0 0.0 383726.72 537.0826 34.65 34.65 0 56 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H 0.0 819713.56 0.0 0.0 819713.56 0.0 0.0 819713.56 0.0 491.0972 28.86 28.86 0 8 Farrerol - 40eV Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3 0.0 0.0 128570.08 0.0 0.0 128570.08 0.0 0.0 128570.08 559.3121 37.7 37.7 0 42 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV nan nan 0.0 34142.1 0.0 0.0 34142.1 0.0 0.0 34142.1 0.0 255.8213 10.74 10.74 0 55 0.0 0.0 2044561.0 0.0 0.0 2044561.0 0.0 0.0 2044561.0 720.1689 18.64 18.64 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 74955.49 0.0 0.0 74955.49 0.0 0.0 74955.49 0.0 0.0 661.1341 8.8 8.8 0 4 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 60768.86 0.0 0.0 60768.86 0.0 0.0 60768.86 0.0 0.0 417.0318 18.44 18.44 0 11 NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=CC(OC2OC(CO)C(O)C(O)C2O)C1O InChI=1S/C21H26O12/c22-8-14-16(27)18(29)19(30)21(32-14)31-13-5-4-11(24)20(17(13)28)33-15(26)6-2-9-1-3-10(23)12(25)7-9/h1-7,11,13-14,16-25,27-30H,8H2/b6-2+ 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 537.3276 39.75 39.75 0 42 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid 79537.89 0.0 0.0 79537.89 0.0 0.0 79537.89 0.0 0.0 661.1347 8.25 8.25 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 0.0 334332.94 0.0 0.0 334332.94 0.0 0.0 334332.94 363.1468 6.08 6.08 0 22 28238.12 0.0 0.0 28238.12 0.0 0.0 28238.12 0.0 0.0 353.0265 28.82 28.82 0 4 luteolin 4'-O-glucoside O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 0.0 59193.926 0.0 0.0 59193.926 0.0 0.0 59193.926 0.0 366.1172 5.27 5.27 0 51 647845.3 0.0 0.0 647845.3 0.0 0.0 647845.3 0.0 0.0 896.1913 11.6 11.6 0 5 Luteolin-7,3'-di-O-glucoside - 40eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 10705708.0 0.0 0.0 10705708.0 0.0 0.0 10705708.0 0.0 0.0 593.1488 9.25 9.25 0 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 0.0 0.0 216543.88 0.0 0.0 216543.88 0.0 0.0 216543.88 579.1706 12.61 12.61 0 1 Massbank:PR306410 Naringenin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 0.0 106686.16 48846.72 0.0 106686.16 48846.72 0.0 106686.16 48846.72 653.1503 21.99 21.99 0 8 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3 0.0 0.0 133472.48 0.0 0.0 133472.48 0.0 0.0 133472.48 167.0339 6.36 6.36 0 11 ALPHA-ARBUTIN C1=C(C=CC(=C1)OC2C(C(C(C(CO)O2)O)O)O)O "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2" 133481.36 0.0 0.0 133481.36 0.0 0.0 133481.36 0.0 0.0 645.1385 14.89 14.89 0 1 Apiin O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 0.0 0.0 5197348.0 0.0 0.0 5197348.0 0.0 0.0 5197348.0 719.1651 18.64 18.64 0 2 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 663602.44 0.0 0.0 663602.44 0.0 0.0 663602.44 722.3669 36.57 36.57 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 0.0 0.0 144206.64 0.0 0.0 144206.64 0.0 0.0 144206.64 554.3014 37.62 37.62 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 307248.78 0.0 0.0 307248.78 0.0 0.0 307248.78 0.0 715.1309 26.53 26.53 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 165978.08 0.0 0.0 165978.08 0.0 0.0 165978.08 669.2902 35.61 35.61 0 52 Caffeic acid phenethyl ester O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ 0.0 0.0 94261.28 0.0 0.0 94261.28 0.0 0.0 94261.28 347.1509 11.22 11.22 0 59 0.0 0.0 1275341.4 0.0 0.0 1275341.4 0.0 0.0 1275341.4 651.1564 20.08 20.08 0 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 205.0494 30.09 30.09 0 2 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 50eV COc1ccc(cc1O)/C=C/C(=O)O InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ 0.0 58889.9 0.0 0.0 58889.9 0.0 0.0 58889.9 0.0 549.0648 28.2 28.2 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 354151.94 0.0 0.0 354151.94 0.0 0.0 354151.94 0.0 0.0 483.0674 11.6 11.6 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 39903.312 0.0 0.0 39903.312 0.0 0.0 39903.312 0.0 0.0 653.1081 8.48 8.48 0 1 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 193.0492 15.42 15.42 0 2 Isofraxidin O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 0.0 77829.734 0.0 0.0 77829.734 0.0 0.0 77829.734 0.0 305.105 12.33 12.33 0 16 12-Hydroxyjasmonate sulfate 0.0 0.0 135382.19 0.0 0.0 135382.19 0.0 0.0 135382.19 433.2592 37.86 37.86 0 26 NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@H](CO)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C=C4)O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C42H54O23/c1-18-28(50)30(52)32(54)39(57-18)62-35-19(2)58-40(33(55)31(35)53)63-37-34(56)41(59-25(16-44)36(37)60-26(48)13-7-20-3-9-22(46)10-4-20)65-42(17-45)38(29(51)24(15-43)64-42)61-27(49)14-8-21-5-11-23(47)12-6-21/h3-14,18-19,24-25,28-41,43-47,50-56H,15-17H2,1-2H3/b13-7+,14-8+/t18-,19-,24+,25+,28-,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42-/m0/s1 115020.63 0.0 0.0 115020.63 0.0 0.0 115020.63 0.0 0.0 515.0772 11.6 11.6 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 121898.23 0.0 832670.8 121898.23 0.0 832670.8 121898.23 0.0 832670.8 272.9577 1.15 1.15 0 38 (S)-MALATE OC(=O)C[C@@H](C(=O)O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 295337.5 0.0 0.0 295337.5 0.0 0.0 295337.5 0.0 0.0 351.0745 3.2 3.2 0 1 Chlorogenic acid - 40.0 eV c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 4440406.0 0.0 0.0 4440406.0 0.0 0.0 4440406.0 0.0 0.0 447.0903 11.6 11.6 0 1 Massbank:PR305576 Luteolin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 442167.9 0.0 0.0 442167.9 0.0 0.0 442167.9 0.0 0.0 385.1161 2.47 2.47 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 0.0 107376.234 0.0 0.0 107376.234 0.0 0.0 107376.234 713.1135 16.24 16.24 0 30 2152123.8 0.0 0.0 2152123.8 0.0 0.0 2152123.8 0.0 0.0 278.1253 1.56 1.56 0 10 Massbank:PR303058 Petunidin-3-O-beta-glucoside COC1=CC(=CC(O)=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1 1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 0.0 169170.9 0.0 0.0 169170.9 0.0 0.0 169170.9 0.0 850.1675 29.39 29.39 0 25 0.0 35845.08 0.0 0.0 35845.08 0.0 0.0 35845.08 0.0 305.1053 11.48 11.48 0 16 102149.46 57959.035 0.0 102149.46 57959.035 0.0 102149.46 57959.035 0.0 521.13 14.03 14.03 0 37 Isorhamnetin-3-O-b-D-Glucoside 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 540.3297 38.29 38.29 0 19 PE(16:0/18:0); [M-H]- C39H77N1O8P1 nan nan 0.0 0.0 7956615.0 0.0 0.0 7956615.0 0.0 0.0 7956615.0 359.0766 18.9 18.9 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 142039.58 0.0 0.0 142039.58 0.0 0.0 142039.58 641.1656 36.36 36.36 0 29 1242482.5 0.0 0.0 1242482.5 0.0 0.0 1242482.5 0.0 0.0 367.1025 5.46 5.46 0 11 Methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 293.1748 35.65 35.65 0 20 4(RS)-ST-del5-8-NeuroF O[C@@H]1CC([C@H](/C=C/C(O)CCC(O)=O)O)O[C@H]1C/C=C\\C/C=C\\C/C=C\\CC InChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-10-11-20-19(25)16-21(28-20)18(24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17?,18-,19-,20+,21?/m0/s1 0.0 0.0 319570.34 0.0 0.0 319570.34 0.0 0.0 319570.34 477.2848 37.22 37.22 0 26 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 0.0 0.0 144866.48 0.0 0.0 144866.48 0.0 0.0 144866.48 677.1269 10.23 10.23 0 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 487.0654 28.51 28.51 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 111441.17 0.0 0.0 111441.17 0.0 0.0 111441.17 895.1698 16.77 16.77 0 49 0.0 332061.06 109975.8 0.0 332061.06 109975.8 0.0 332061.06 109975.8 311.0553 15.24 15.24 0 24 0.0 204563.12 152142.8 0.0 204563.12 152142.8 0.0 204563.12 152142.8 731.1597 20.87 20.87 0 30 0.0 0.0 336474.72 0.0 0.0 336474.72 0.0 0.0 336474.72 551.1196 28.22 28.22 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 543078.3 0.0 0.0 543078.3 0.0 0.0 543078.3 0.0 0.0 479.1224 2.28 2.28 0 1 Massbank:PR309013 Coumaroyl quinic acid (isomer of 758, 760) O=C(OC1CC(O)(C(=O)O)CC(O)C1(O))C=CC2=CC=C(O)C=C2 1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22) 0.0 193565.34 0.0 0.0 193565.34 0.0 0.0 193565.34 0.0 429.0703 1.76 1.76 0 32 0.0 61441.83 0.0 0.0 61441.83 0.0 0.0 61441.83 0.0 351.1354 35.66 35.66 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 41406.406 0.0 0.0 41406.406 0.0 0.0 41406.406 0.0 397.1123 20.36 20.36 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 373.0917 29.56 29.56 0 11 Massbank:PR307093 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 390783.38 0.0 0.0 390783.38 0.0 0.0 390783.38 681.168 20.98 20.98 0 1 Episyringaresinol 4'-O-beta-D-glncopyranoside OC1=C(OC)C=C(C=C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4 InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 0.0 154003.69 0.0 0.0 154003.69 0.0 0.0 154003.69 0.0 121.0289 5.42 5.42 0 11 1-HYDROXYPYRENE Oc1c2ccc3cccc4c3c2c(cc1)cc4 InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H 855532.2 0.0 0.0 855532.2 0.0 0.0 855532.2 0.0 0.0 675.3586 36.59 36.59 0 9 0.0 43709.8 0.0 0.0 43709.8 0.0 0.0 43709.8 0.0 305.1052 11.94 11.94 0 16 0.0 0.0 63389.27 0.0 0.0 63389.27 0.0 0.0 63389.27 417.0354 19.13 19.13 0 11 Caffeic acid phenethyl ester O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ 0.0 140687.19 0.0 0.0 140687.19 0.0 0.0 140687.19 0.0 473.1077 29.35 29.35 0 1 Massbank:PR306057 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 83730.85 0.0 0.0 83730.85 0.0 0.0 83730.85 615.1551 11.22 11.22 0 1 73379.35 292711.38 0.0 73379.35 292711.38 0.0 73379.35 292711.38 0.0 491.0965 9.66 9.66 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 364553.84 0.0 0.0 364553.84 0.0 0.0 364553.84 623.1963 9.75 9.75 0 2 Acteoside C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 0.0 85846.67 0.0 0.0 85846.67 0.0 0.0 85846.67 0.0 711.0989 26.45 26.45 0 31 0.0 445301.16 443681.72 0.0 445301.16 443681.72 0.0 445301.16 443681.72 739.1265 27.27 27.27 0 3 0.0 0.0 53788.613 0.0 0.0 53788.613 0.0 0.0 53788.613 675.1392 15.75 15.75 0 1 Kakkalide O=C1C(=COC=2C=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5 InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3 0.0 0.0 182529.69 0.0 0.0 182529.69 0.0 0.0 182529.69 521.1296 14.17 14.17 0 37 1,5-Dicaffeoylquinic acid 0.0 99072.59 0.0 0.0 99072.59 0.0 0.0 99072.59 0.0 713.1127 26.69 26.69 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 118654.67 0.0 0.0 118654.67 0.0 0.0 118654.67 347.151 12.32 12.32 0 59 0.0 656001.1 370770.75 0.0 656001.1 370770.75 0.0 656001.1 370770.75 325.0709 30.25 30.25 0 11 Trans ferulic acid 0.0 0.0 1097874.2 0.0 0.0 1097874.2 0.0 0.0 1097874.2 397.1172 3.95 3.95 0 17 97925.35 0.0 0.0 97925.35 0.0 0.0 97925.35 0.0 0.0 357.0585 18.64 18.64 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 460448.53 0.0 0.0 460448.53 0.0 0.0 460448.53 367.1033 4.33 4.33 0 1 methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 0.0 68487.46 0.0 0.0 68487.46 0.0 0.0 68487.46 0.0 369.1441 7.64 7.64 0 11 NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match] COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1 InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-8H,2,4,9H2,1H3 440427.62 0.0 98798.86 440427.62 0.0 98798.86 440427.62 0.0 98798.86 431.0969 16.81 16.81 0 1 Apigenin-7-O-glucoside (Apigetrin) - 40eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 61212.6 0.0 0.0 61212.6 0.0 0.0 61212.6 0.0 179.0338 18.01 18.01 0 11 Caffeic Acid C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 493.1123 21.71 21.71 0 13 Salvianolic acid A O=C(/C=C/c1c(/C=C/c2cc(O)c(O)cc2)c(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 0.0 797185.7 0.0 0.0 797185.7 0.0 0.0 797185.7 0.0 431.096 17.51 17.51 0 1 Massbank:PR306046 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 125502.96 0.0 0.0 125502.96 0.0 0.0 125502.96 651.1132 15.08 15.08 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 274230.16 157108.52 0.0 274230.16 157108.52 0.0 274230.16 157108.52 489.0822 28.01 28.01 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 249403.22 0.0 283828.6 249403.22 0.0 283828.6 249403.22 0.0 283828.6 679.3911 38.42 38.42 0 9 0.0 0.0 80406.59 0.0 0.0 80406.59 0.0 0.0 80406.59 667.1047 9.15 9.15 0 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 0.0 157440.17 0.0 0.0 157440.17 0.0 0.0 157440.17 0.0 313.0706 18.05 18.05 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 143555.5 0.0 0.0 143555.5 0.0 0.0 143555.5 785.2504 7.5 7.5 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 0.0 0.0 244106.88 0.0 0.0 244106.88 0.0 0.0 244106.88 677.1413 36.73 36.73 0 29 83229.58 0.0 0.0 83229.58 0.0 0.0 83229.58 0.0 0.0 505.0512 10.84 10.84 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 112315.016 0.0 0.0 112315.016 0.0 0.0 112315.016 0.0 0.0 363.1457 6.18 6.18 0 22 72627.68 0.0 0.0 72627.68 0.0 0.0 72627.68 0.0 0.0 661.1331 9.72 9.72 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 253944.53 0.0 290120.25 253944.53 0.0 290120.25 253944.53 0.0 290120.25 725.3964 38.42 38.42 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 167849.44 0.0 237801.23 167849.44 0.0 237801.23 167849.44 0.0 237801.23 291.1957 37.59 37.59 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 399445.3 0.0 0.0 399445.3 0.0 0.0 399445.3 0.0 315.0757 2.5 2.5 0 11 Arbutin - 40.0 eV c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 0.0 0.0 1114183.2 0.0 0.0 1114183.2 0.0 0.0 1114183.2 741.1476 18.5 18.5 0 18 ROSMARINIC_ACID C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 177959.81 0.0 0.0 177959.81 0.0 0.0 177959.81 983.2809 20.03 20.03 0 57 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 717.1423 27.46 27.46 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 365697.94 0.0 0.0 365697.94 0.0 0.0 365697.94 323.1367 2.41 2.41 0 41 trehalose OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 0.0 603485.1 514404.56 0.0 603485.1 514404.56 0.0 603485.1 514404.56 395.0541 18.49 18.49 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 446288.94 0.0 775254.06 446288.94 0.0 775254.06 446288.94 0.0 775254.06 566.3462 38.69 38.69 0 19 PE(18:1/20:1); [M-H]- C43H81N1O8P1 nan nan 0.0 0.0 136286.48 0.0 0.0 136286.48 0.0 0.0 136286.48 381.1219 5.29 5.29 0 7 0.0 262526.6 0.0 0.0 262526.6 0.0 0.0 262526.6 0.0 505.0782 30.76 30.76 0 15 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 2349752.0 0.0 0.0 2349752.0 0.0 0.0 2349752.0 0.0 0.0 292.1412 1.56 1.56 0 10 Polydatin OCC(O1)C(O)C(O)C(O)C1OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O)=C2 InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+ 0.0 0.0 3002348.0 0.0 0.0 3002348.0 0.0 0.0 3002348.0 717.1421 16.37 16.37 0 30 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 513.0796 28.39 28.39 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 999226.2 0.0 0.0 999226.2 0.0 0.0 999226.2 367.1038 5.02 5.02 0 1 3-O-Feruloylquinic acid COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 564.3299 37.63 37.63 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 0.0 1036651.44 0.0 0.0 1036651.44 0.0 0.0 1036651.44 507.2963 39.34 39.34 0 46 NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC(CCO)COC(=O)/C=C/c1cc(O)c(O)cc1 InChI=1S/C29H40O7/c1-19-11-14-29(3)22(27(34)35)5-4-6-25(29)28(19,2)15-12-21(13-16-30)18-36-26(33)10-8-20-7-9-23(31)24(32)17-20/h5,7-10,17,19,21,25,30-32H,4,6,11-16,18H2,1-3H3,(H,34,35)/b10-8+ 0.0 69120.55 216888.08 0.0 69120.55 216888.08 0.0 69120.55 216888.08 343.0817 23.88 23.88 0 2 Massbank:PR305705 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 359.0743 17.95 17.95 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 34788.492 0.0 0.0 34788.492 0.0 0.0 34788.492 0.0 350.1227 10.13 10.13 0 51 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate C=C(C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CO InChI=1S/C20H24O10/c1-11(13(22)9-21)19(27)28-10-14-16(24)17(25)18(26)20(29-14)30-15(23)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-18,20-22,24-26H,1,9-10H2/b8-7+/t13?,14-,16-,17+,18-,20+/m1/s1 132147.14 0.0 138396.56 132147.14 0.0 138396.56 132147.14 0.0 138396.56 727.4143 39.94 39.94 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 330464.72 0.0 561831.7 330464.72 0.0 561831.7 330464.72 0.0 561831.7 395.0509 18.01 18.01 0 2 rosmarinic acid O=C(C=Cc1cc(O)c(O)cc1)OC(Cc1cc(O)c(O)cc1)C(=O)O "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1" 67645.586 0.0 0.0 67645.586 0.0 0.0 67645.586 0.0 0.0 661.1364 9.52 9.52 0 4 Ala-aMCA C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 0.0 0.0 234810.73 0.0 0.0 234810.73 0.0 0.0 234810.73 769.253 14.87 14.87 0 14 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 67816.914 0.0 0.0 67816.914 0.0 0.0 67816.914 0.0 0.0 510.0862 11.52 11.52 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 324479.5 423389.1 0.0 324479.5 423389.1 0.0 324479.5 423389.1 0.0 137.0223 3.61 3.61 0 27 Massbank:FIO00673 3-Hydroxyanthranilic acid OC(=O)c(c1)c(N)c(O)cc1 1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) 0.0 44094.8 0.0 0.0 44094.8 0.0 0.0 44094.8 0.0 153.0183 5.17 5.17 0 11 HOMOGENTISIC ACID C1=C(C=C(CC(=O)O)C(=C1)O)O "InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)" 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 447.0917 16.5 16.5 0 1 Massbank:PR307138 Kaempferol 3-O-sophoroside OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 0.0 484668.78 152086.94 0.0 484668.78 152086.94 0.0 484668.78 152086.94 983.2044 28.19 28.19 0 8 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 337.0922 4.56 4.56 0 1 MEGxp0_001651 (Chimeric precursor selection) CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) 0.0 34815.9 0.0 0.0 34815.9 0.0 0.0 34815.9 0.0 255.8205 10.92 10.92 0 6 0.0 0.0 63728.19 0.0 0.0 63728.19 0.0 0.0 63728.19 517.0786 30.13 30.13 0 44 Spectral Match to Rosmarinic acid from NIST14 nan nan 168532.56 0.0 0.0 168532.56 0.0 0.0 168532.56 0.0 0.0 313.0687 18.68 18.68 0 2 Plantamajoside O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCCc2cc(O)c(O)cc2)O[C@@H]1CO InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1 0.0 0.0 2680236.8 0.0 0.0 2680236.8 0.0 0.0 2680236.8 491.0972 28.22 28.22 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 399090.84 0.0 0.0 399090.84 0.0 0.0 399090.84 311.0771 4.13 4.13 0 45 0.0 601165.44 544669.56 0.0 601165.44 544669.56 0.0 601165.44 544669.56 671.1386 27.48 27.48 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 67664.67 0.0 0.0 67664.67 0.0 0.0 67664.67 0.0 0.0 497.0812 18.24 18.24 0 1 Massbank:FIO01056 Diosmin c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 415647.25 0.0 0.0 415647.25 0.0 0.0 415647.25 0.0 0.0 895.1896 10.81 10.81 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 290.0899 2.08 2.08 0 10 Massbank:PR309145 N-Fructosyl isoleucine O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) 0.0 67477.55 154073.03 0.0 67477.55 154073.03 0.0 67477.55 154073.03 463.0875 11.59 11.59 0 1 Massbank:PR309227 Flavonol base + 3O, O-Hex O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C=C4 1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2 388049.78 0.0 0.0 388049.78 0.0 0.0 388049.78 0.0 0.0 729.1677 2.97 2.97 0 50 phellopterin O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 491.0964 28.47 28.47 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 2280436.0 0.0 0.0 2280436.0 0.0 0.0 2280436.0 0.0 133.0154 1.68 1.68 0 34 TARTRATE O[C@@H]([C@H](O)C(O)=O)C(O)=O "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1" 0.0 0.0 426123.62 0.0 0.0 426123.62 0.0 0.0 426123.62 652.1597 20.12 20.12 0 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 233737.8 0.0 266412.94 233737.8 0.0 266412.94 233737.8 0.0 266412.94 677.3737 37.37 37.37 0 9 0.0 57378.625 0.0 0.0 57378.625 0.0 0.0 57378.625 0.0 633.3383 39.08 39.08 0 4 0.0 0.0 128604.336 0.0 0.0 128604.336 0.0 0.0 128604.336 672.1418 26.71 26.71 0 31 0.0 0.0 2955859.0 0.0 0.0 2955859.0 0.0 0.0 2955859.0 577.1312 31.5 31.5 0 1 [6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2ccc3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2O)C(O)C(O)C1O InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-10-24(35)40-13-23-25(36)27(38)28(39)30(43-23)42-21-9-7-17-19(33)12-22(41-29(17)26(21)37)15-4-8-18(32)20(34)11-15/h1-12,23,25,27-28,30-32,34,36-39H,13H2/b10-3+ 548944.2 0.0 0.0 548944.2 0.0 0.0 548944.2 0.0 0.0 395.0502 18.6 18.6 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 537.1022 9.66 9.66 0 23 109365.484 0.0 0.0 109365.484 0.0 0.0 109365.484 0.0 0.0 505.0497 11.52 11.52 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 0.0 0.0 75708.78 0.0 0.0 75708.78 0.0 0.0 75708.78 391.1028 11.14 11.14 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 241390.81 0.0 0.0 241390.81 0.0 0.0 241390.81 615.1474 12.61 12.61 0 1 Massbank:PR306410 Naringenin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 0.0 0.0 248788.95 0.0 0.0 248788.95 0.0 0.0 248788.95 723.1692 35.81 35.81 0 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 0.0 81013.41 0.0 0.0 81013.41 0.0 0.0 81013.41 0.0 397.112 20.88 20.88 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 0.0 0.0 126109.24 0.0 0.0 126109.24 0.0 0.0 126109.24 632.3177 37.62 37.62 0 35 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 387.1141 1.53 1.53 0 41 Arabitol C([C@H](C([C@@H](CO)O)O)O)O "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1" 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 165.0411 1.79 1.79 0 21 ARABINOSE C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1" 0.0 0.0 379460.03 0.0 0.0 379460.03 0.0 0.0 379460.03 577.1327 32.98 32.98 0 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 0.0 36680.36 0.0 0.0 36680.36 0.0 0.0 36680.36 0.0 305.1052 11.02 11.02 0 16 ETHYL SULFATE CCOS(=O)(=O)O "InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)" 0.0 0.0 831144.6 0.0 0.0 831144.6 0.0 0.0 831144.6 741.1392 18.97 18.97 0 2 ROSMARINIC_ACID C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 285.0392 28.84 28.84 0 43 Massbank:PR306202 Eriodictyol OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1 1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 0.0 736387.1 0.0 0.0 736387.1 0.0 0.0 736387.1 0.0 439.0909 1.91 1.91 0 16 INOSINE 5'-PHOSPHATE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) 0.0 0.0 2590000.5 0.0 0.0 2590000.5 0.0 0.0 2590000.5 717.1491 18.61 18.61 0 2 Massbank:PR308806 Rosmarinic acid OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C=CC1=CC=C(O)C(O)=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 95651.31 90911.875 0.0 95651.31 90911.875 0.0 95651.31 90911.875 731.1238 27.33 27.33 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 721.3637 36.58 36.58 0 9 Melezitose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 0.0 0.0 102996.2 0.0 0.0 102996.2 0.0 0.0 102996.2 513.0803 28.22 28.22 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 1342659.9 0.0 0.0 1342659.9 0.0 0.0 1342659.9 0.0 0.0 895.1878 11.6 11.6 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 0.0 0.0 410224.34 0.0 0.0 410224.34 0.0 0.0 410224.34 623.1964 13.53 13.53 0 2 [4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(COC(=O)/C=C/c3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+ 0.0 255298.67 168169.88 0.0 255298.67 168169.88 0.0 255298.67 168169.88 361.0477 30.25 30.25 0 11 537045-51-5 COC(=O)C1=C(C)Nc2c(c(=O)nc(SC)[nH]2)C1c1ccc(F)cc1 InChI=1S/C17H16FN3O3S/c1-8-11(16(23)24-2)12(9-4-6-10(18)7-5-9)13-14(19-8)20-17(25-3)21-15(13)22/h4-7,12H,1-3H3,(H2,19,20,21,22) 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 343.0817 24.62 24.62 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 72840.8 0.0 0.0 72840.8 0.0 0.0 72840.8 0.0 369.1451 10.69 10.69 0 11 Sternbin COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2=O InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3 62258.297 0.0 0.0 62258.297 0.0 0.0 62258.297 0.0 0.0 809.2452 11.25 11.25 0 48 0.0 23715.402 0.0 0.0 23715.402 0.0 0.0 23715.402 0.0 409.0703 25.21 25.21 0 28 14552.476 0.0 0.0 14552.476 0.0 0.0 14552.476 0.0 0.0 255.8212 0.44 0.44 0 55 0.0 150275.5 102418.72 0.0 150275.5 102418.72 0.0 150275.5 102418.72 489.0809 9.59 9.59 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 50325.004 0.0 0.0 50325.004 0.0 0.0 50325.004 667.1393 27.58 27.58 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 442991.53 0.0 0.0 442991.53 0.0 0.0 442991.53 0.0 431.0969 16.94 16.94 0 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 518058.9 0.0 0.0 518058.9 0.0 0.0 518058.9 0.0 467.0722 17.47 17.47 0 1 Massbank:TY000187 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 1148628.0 0.0 0.0 1148628.0 0.0 0.0 1148628.0 353.0895 3.47 3.47 0 1 Chlorogenic Acid 46361.23 0.0 0.0 46361.23 0.0 0.0 46361.23 0.0 0.0 174.955 0.57 0.57 0 53 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 313.0708 32.66 32.66 0 2 Massbank:PR305712 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 123573.07 0.0 0.0 123573.07 0.0 0.0 123573.07 381.122 4.71 4.71 0 7 Massbank:PR309344 Licodione base + 2Prenyl O=C(C=C(O)C=1C=CC(O)=C(C=1)CC=C(C)C)C=2C=C(C(O)=CC=2(O))CC=C(C)C 1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-14,26-28,30H,7-8H2,1-4H3 0.0 0.0 134934.53 0.0 0.0 134934.53 0.0 0.0 134934.53 709.2336 32.9 32.9 0 58 0.0 0.0 156614.81 0.0 0.0 156614.81 0.0 0.0 156614.81 565.3508 39.3 39.3 0 4 Ala-aMCA C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 0.0 0.0 85989.445 0.0 0.0 85989.445 0.0 0.0 85989.445 556.3193 38.7 38.7 0 19 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 195.0515 1.82 1.82 0 21 L-(?)-Sorbose - 40.0 eV C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 0.0 142453.58 0.0 0.0 142453.58 0.0 0.0 142453.58 0.0 509.0853 29.35 29.35 0 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 161.0234 18.68 18.68 0 2 7,3',4'-Trihydroxyflavone O=c1cc(-c2cc(O)c(O)cc2)oc2c1ccc(O)c2 InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H 0.0 0.0 184274.9 0.0 0.0 184274.9 0.0 0.0 184274.9 326.901 1.32 1.32 0 38 Bafilomycin Cl CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)C=CC(=O)O)O)O)OC)C InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41) 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 137.0237 15.52 15.52 0 40 2,4-Dihydroxybenzoic acid - 40.0 eV c1cc(c(cc1O)O)C(=O)O InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) 314748.06 0.0 0.0 314748.06 0.0 0.0 314748.06 0.0 0.0 607.1615 17.72 17.72 0 1 Massbank:FIO01058 Diosmin c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 228625.72 0.0 0.0 228625.72 0.0 0.0 228625.72 0.0 0.0 483.0682 10.68 10.68 0 1 Massbank:PR306882 Kaempferol-3-O-galactoside-6''-rhamnoside-3'''-rha CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3 148820.7 0.0 149501.03 148820.7 0.0 149501.03 148820.7 0.0 149501.03 313.07 17.9 17.9 0 2 Massbank:PR305739 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 115090.59 411060.8 0.0 115090.59 411060.8 0.0 115090.59 411060.8 349.048 32.66 32.66 0 2 apiosylskimmin O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1 0.0 0.0 145259.02 0.0 0.0 145259.02 0.0 0.0 145259.02 639.1553 15.71 15.71 0 1 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1O InChI=1S/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-11(24)7-12(30-2)15(26)20(13)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1 0.0 107645.8 0.0 0.0 107645.8 0.0 0.0 107645.8 0.0 463.0876 12.02 12.02 0 1 NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4 InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18+,19-,20-,21?/m1/s1 0.0 22763.04 97072.484 0.0 22763.04 97072.484 0.0 22763.04 97072.484 383.0773 25.21 25.21 0 8 caftaric acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 559.3115 37.93 37.93 0 42 Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV nan nan 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 353.0882 2.96 2.96 0 1 Chlorogenic Acid 0.0 105371.945 0.0 0.0 105371.945 0.0 0.0 105371.945 0.0 540.3318 38.01 38.01 0 19 Massbank:PR309158 LPC 18:2 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 116155.99 0.0 0.0 116155.99 0.0 0.0 116155.99 0.0 0.0 675.1481 16.45 16.45 0 1 Diosmin - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 0.0 2222921.8 0.0 0.0 2222921.8 0.0 0.0 2222921.8 0.0 718.1486 27.49 27.49 0 31 0.0 0.0 64175.805 0.0 0.0 64175.805 0.0 0.0 64175.805 607.1272 10.15 10.15 0 1 Rutin C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 0.0 0.0 51257.15 0.0 0.0 51257.15 0.0 0.0 51257.15 409.0687 25.34 25.34 0 28 0.0 0.0 50499.516 0.0 0.0 50499.516 0.0 0.0 50499.516 174.9552 0.21 0.21 0 53 0.0 184799.78 104550.516 0.0 184799.78 104550.516 0.0 184799.78 104550.516 323.0553 30.27 30.27 0 11 1-hydroxy-10-methylacridone O=C1C=2C=CC=CC2N(C=3C=CC=C(O)C13)C InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3 2172778.5 0.0 0.0 2172778.5 0.0 0.0 2172778.5 0.0 0.0 353.0881 3.2 3.2 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 0.0 3441563.8 0.0 0.0 3441563.8 0.0 0.0 3441563.8 533.175 1.79 1.79 0 1 Chlorogenic Acid 0.0 0.0 128478.52 0.0 0.0 128478.52 0.0 0.0 128478.52 895.1689 16.97 16.97 0 49 0.0 0.0 194283.03 0.0 0.0 194283.03 0.0 0.0 194283.03 755.2382 12.82 12.82 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 0.0 4775379.0 0.0 0.0 4775379.0 0.0 0.0 4775379.0 0.0 717.1415 17.12 17.12 0 30 0.0 92114.56 43870.664 0.0 92114.56 43870.664 0.0 92114.56 43870.664 711.0949 26.7 26.7 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 104728.01 0.0 0.0 104728.01 0.0 0.0 104728.01 0.0 0.0 727.1525 2.97 2.97 0 50 Chlorogenic acid C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O CWVRJTMFETXNAD-JUHZACGLSA-N 109095.125 274259.25 0.0 109095.125 274259.25 0.0 109095.125 274259.25 0.0 503.0958 30.81 30.81 0 15 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 699.3813 38.02 38.02 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 0.0 0.0 168797.64 0.0 0.0 168797.64 0.0 0.0 168797.64 740.126 27.61 27.61 0 3 -15.994 -15 0.7483 0 8197 8816 43 Cosine 0.7483 0.0 0 0.8322 0 8197 9810 43 Cosine 0.8322 -1.003 -1 0.7341 0 6895 6894 2 Cosine 0.7341 -3.948 -3 0.8741 0 6385 4971 2 Cosine 0.8741 -0.004 0 0.8877 0 6385 6691 2 Cosine 0.8877 35.976 35 0.8578 0 6385 6497 2 Cosine 0.8578 -0.001 0 0.8895 0 6385 6530 2 Cosine 0.8895 -0.002 0 0.8681 0 6385 6460 2 Cosine 0.8681 -0.001 0 0.8652 0 6385 6833 2 Cosine 0.8652 35.975 35 0.8643 0 6385 6768 2 Cosine 0.8643 0.0 0 0.8982 0 6385 6730 2 Cosine 0.8982 37.992 37 0.9001 0 6385 6741 2 Cosine 0.9001 35.974 35 0.8741 0 6385 6870 2 Cosine 0.8741 0.002 0 0.732 0 3161 2880 45 Cosine 0.732 -328.062 -328 0.7946 0 5027 6749 2 Cosine 0.7946 0.0 0 0.7865 0 5027 4748 2 Cosine 0.7865 -3.951 -3 0.8456 0 5027 6888 2 Cosine 0.8456 15.994 15 0.8729 0 9810 8816 43 Cosine 0.8729 -0.002 0 0.71 0 10283 10639 56 Cosine 0.71 21.981 21 0.7595 0 7947 7958 44 Cosine 0.7595 4.032 4 0.7916 0 10817 10947 52 Cosine 0.7916 -2.015 -2 0.9666 0 8999 9003 11 Cosine 0.9666 45.958 45 0.7296 0 8999 6938 11 Cosine 0.7296 -3.974 -3 0.8838 0 8999 3429 11 Cosine 0.8838 -7.931 -7 0.7925 0 8999 3440 11 Cosine 0.7925 -1.932 -1 0.7241 0 8999 4948 11 Cosine 0.7241 -192.043 -192 0.799 0 8999 6525 11 Cosine 0.799 -37.991 -37 0.9135 0 8999 9000 11 Cosine 0.9135 45.955 45 0.7645 0 8999 6669 11 Cosine 0.7645 -1.932 -1 0.7586 0 8999 4965 11 Cosine 0.7586 -192.044 -192 0.7657 0 8999 6475 11 Cosine 0.7657 -30.013 -30 0.7947 0 7837 6560 2 Cosine 0.7947 280.112 280 0.7747 0 7837 4449 2 Cosine 0.7747 -30.014 -30 0.8132 0 7837 6644 2 Cosine 0.8132 -30.016 -30 0.8467 0 7837 6445 2 Cosine 0.8467 280.113 280 0.7545 0 7837 5186 2 Cosine 0.7545 88.099 88 0.8693 0 4108 4869 1 Cosine 0.8693 110.081 110 0.8887 0 4108 4850 1 Cosine 0.8887 15.997 15 0.8799 0 4108 5819 1 Cosine 0.8799 2.013 2 0.9683 0 4108 4296 1 Cosine 0.9683 -0.0 0 0.9718 0 4108 4319 1 Cosine 0.9718 -14.012 -14 0.8972 0 4108 5857 1 Cosine 0.8972 15.996 15 0.9532 0 4108 3883 1 Cosine 0.9532 15.995 15 0.8878 0 4108 3689 1 Cosine 0.8878 15.996 15 0.9126 0 4108 5457 1 Cosine 0.9126 146.058 146 0.8807 0 4108 6374 1 Cosine 0.8807 -23.017 -23 0.8485 0 4952 2498 27 Cosine 0.8485 -0.002 0 0.7521 0 7615 7377 11 Cosine 0.7521 0.001 0 0.777 0 2376 2127 1 Cosine 0.777 -37.995 -37 0.9295 0 6668 6691 2 Cosine 0.9295 362.099 362 0.9173 0 6668 6524 2 Cosine 0.9173 34.044 34 0.861 0 6668 4748 2 Cosine 0.861 37.992 37 0.9294 0 6668 6530 2 Cosine 0.9294 37.993 37 0.9374 0 6668 6460 2 Cosine 0.9374 -360.09 -360 0.9179 0 6668 6739 2 Cosine 0.9179 -363.11 -363 0.8818 0 6668 6750 2 Cosine 0.8818 -37.991 -37 0.9075 0 6668 6730 2 Cosine 0.9075 -37.993 -37 0.9412 0 6668 6833 2 Cosine 0.9412 -37.994 -37 0.9229 0 6668 6888 2 Cosine 0.9229 0.001 0 0.7398 0 5494 4366 4 Cosine 0.7398 47.983 47 0.8391 0 1110 393 41 Cosine 0.8391 -0.0 0 0.9434 0 1245 548 47 Cosine 0.9434 24.0 24 0.7274 0 12232 11829 35 Cosine 0.7274 23.997 23 0.711 0 11695 12011 19 Cosine 0.711 23.999 23 0.7567 0 11695 12230 19 Cosine 0.7567 -2.018 -2 0.7306 0 11695 12491 19 Cosine 0.7306 0.002 0 0.9484 0 6833 6691 2 Cosine 0.9484 324.106 324 0.8968 0 6833 6524 2 Cosine 0.8968 -0.001 0 0.9561 0 6833 6530 2 Cosine 0.9561 0.001 0 0.9568 0 6833 6460 2 Cosine 0.9568 322.097 322 0.9096 0 6833 6739 2 Cosine 0.9096 325.117 325 0.8686 0 6833 6750 2 Cosine 0.8686 -0.001 0 0.9266 0 6833 6730 2 Cosine 0.9266 -0.002 0 0.8972 0 6833 6888 2 Cosine 0.8972 -11.964 -11 0.7057 0 1856 430 10 Cosine 0.7057 2.052 2 0.7463 0 1856 522 10 Cosine 0.7463 -0.0 0 0.8866 0 1856 640 10 Cosine 0.8866 0.001 0 0.8283 0 1856 1108 10 Cosine 0.8283 -194.058 -194 0.763 0 6475 9003 11 Cosine 0.763 -0.0 0 0.7685 0 6475 6525 11 Cosine 0.7685 190.111 190 0.7052 0 6475 4965 11 Cosine 0.7052 21.981 21 0.7576 0 5360 5458 1 Cosine 0.7576 13.982 13 0.8427 0 2228 3470 1 Cosine 0.8427 -2.014 -2 0.9552 0 2228 2229 1 Cosine 0.9552 -2.016 -2 0.8563 0 2228 2449 1 Cosine 0.8563 356.111 356 0.7765 0 2228 2215 1 Cosine 0.7765 182.101 182 0.8315 0 2228 818 1 Cosine 0.8315 34.042 34 0.8935 0 2228 1740 1 Cosine 0.8935 2.016 2 0.7966 0 2228 1746 1 Cosine 0.7966 -0.001 0 0.9635 0 2228 2363 1 Cosine 0.9635 -2.014 -2 0.839 0 2228 2364 1 Cosine 0.839 -0.002 0 0.9321 0 2228 2473 1 Cosine 0.9321 -0.002 0 0.8554 0 2745 5598 40 Cosine 0.8554 -17.968 -17 0.7359 0 12820 11607 26 Cosine 0.7359 146.055 146 0.7239 0 3689 7196 1 Cosine 0.7239 31.992 31 0.8467 0 3689 5819 1 Cosine 0.8467 15.995 15 0.8896 0 3689 4319 1 Cosine 0.8896 1.983 1 0.7657 0 3689 5857 1 Cosine 0.7657 -0.001 0 0.9156 0 3689 3883 1 Cosine 0.9156 2.017 2 0.7524 0 3689 4536 1 Cosine 0.7524 31.992 31 0.9051 0 3689 5457 1 Cosine 0.9051 69.968 69 0.7217 0 10961 11800 20 Cosine 0.7217 -10.028 -10 0.78 0 10961 10960 20 Cosine 0.78 -67.989 -67 0.7186 0 10961 10959 20 Cosine 0.7186 -0.001 0 0.8666 0 8678 8636 31 Cosine 0.8666 166.064 166 0.7031 0 8678 8375 31 Cosine 0.7031 43.992 43 0.8074 0 8238 8163 31 Cosine 0.8074 0.001 0 0.7889 0 8238 8476 31 Cosine 0.7889 -47.009 -47 0.8471 0 8238 8482 31 Cosine 0.8471 -46.003 -46 0.7918 0 8238 8469 31 Cosine 0.7918 -43.99 -43 0.7572 0 8238 8375 31 Cosine 0.7572 -30.01 -30 0.7256 0 8238 9276 31 Cosine 0.7256 -120.02 -120 0.7283 0 5447 9677 2 Cosine 0.7283 -120.021 -120 0.729 0 5447 9937 2 Cosine 0.729 32.026 32 0.8325 0 5447 6785 2 Cosine 0.8325 0.0 0 0.8437 0 5447 5586 2 Cosine 0.8437 15.993 15 0.7622 0 5447 7768 2 Cosine 0.7622 146.056 146 0.7575 0 7196 3883 1 Cosine 0.7575 -15.998 -15 0.7419 0 7196 6374 1 Cosine 0.7419 -2.017 -2 0.7671 0 4201 4526 1 Cosine 0.7671 -0.0 0 0.787 0 4201 4536 1 Cosine 0.787 0.001 0 0.888 0 5804 5458 1 Cosine 0.888 146.055 146 0.7427 0 5804 6059 1 Cosine 0.7427 35.976 35 0.796 0 5804 5819 1 Cosine 0.796 32.011 32 0.7992 0 5804 5462 1 Cosine 0.7992 35.997 35 0.8069 0 5804 9574 1 Cosine 0.8069 104.043 104 0.7519 0 5804 8959 1 Cosine 0.7519 2.02 2 0.7867 0 5804 5040 1 Cosine 0.7867 21.983 21 0.8137 0 5804 5460 1 Cosine 0.8137 -30.011 -30 0.7974 0 5804 6273 1 Cosine 0.7974 -35.976 -35 0.8457 0 5804 5457 1 Cosine 0.8457 30.011 30 0.7251 0 5349 5450 14 Cosine 0.7251 0.001 0 0.8836 0 8375 8163 31 Cosine 0.8836 43.991 43 0.7321 0 8375 8476 31 Cosine 0.7321 -3.019 -3 0.7583 0 8375 8482 31 Cosine 0.7583 -2.013 -2 0.8386 0 8375 8469 31 Cosine 0.8386 -2.017 -2 0.9141 0 8375 8212 31 Cosine 0.9141 46.008 46 0.7649 0 8375 8474 31 Cosine 0.7649 47.99 47 0.8 0 8375 8506 31 Cosine 0.8 -226.048 -226 0.7146 0 2214 1483 1 Cosine 0.7146 -2.015 -2 0.8684 0 2214 2215 1 Cosine 0.8684 -171.995 -171 0.7388 0 2214 818 1 Cosine 0.7388 2.014 2 0.8776 0 2214 2127 1 Cosine 0.8776 0.0 0 0.7318 0 4980 4843 1 Cosine 0.7318 146.056 146 0.7385 0 4980 4526 1 Cosine 0.7385 144.04 144 0.7807 0 4980 4536 1 Cosine 0.7807 0.0 0 0.7236 0 4980 4950 1 Cosine 0.7236 144.044 144 0.8839 0 6374 4296 1 Cosine 0.8839 -94.001 -94 0.8303 0 6374 2449 1 Cosine 0.8303 146.058 146 0.8837 0 6374 4319 1 Cosine 0.8837 10.031 10 0.756 0 4023 4491 1 Cosine 0.756 15.998 15 0.7135 0 4023 5462 1 Cosine 0.7135 10.03 10 0.7298 0 4023 4173 1 Cosine 0.7298 0.001 0 0.8733 0 6873 6749 2 Cosine 0.8733 -21.976 -21 0.7431 0 6873 6894 2 Cosine 0.7431 -26.017 -26 0.7315 0 11551 11830 19 Cosine 0.7315 324.104 324 0.866 0 6524 6691 2 Cosine 0.866 -328.055 -328 0.8126 0 6524 4725 2 Cosine 0.8126 -324.106 -324 0.8785 0 6524 6460 2 Cosine 0.8785 324.107 324 0.8674 0 6524 6530 2 Cosine 0.8674 2.009 2 0.8554 0 6524 6739 2 Cosine 0.8554 -1.011 -1 0.8547 0 6524 6750 2 Cosine 0.8547 324.105 324 0.861 0 6524 6888 2 Cosine 0.861 0.0 0 0.0 0 6524 6560 2 MS1 annotation [M-H]- [2M+HFA+FA]- dm/z=406.08733 2.0 86.086 86 0.8705 0 4296 4869 1 Cosine 0.8705 108.068 108 0.9066 0 4296 4850 1 Cosine 0.9066 108.067 108 0.885 0 4296 4641 1 Cosine 0.885 -2.013 -2 0.9768 0 4296 4319 1 Cosine 0.9768 86.086 86 0.8738 0 4296 4826 1 Cosine 0.8738 144.045 144 0.8539 0 4296 4848 1 Cosine 0.8539 76.058 76 0.8467 0 4296 4853 1 Cosine 0.8467 -60.021 -60 0.8492 0 4296 7177 1 Cosine 0.8492 -2.016 -2 0.7615 0 11444 11814 19 Cosine 0.7615 0.001 0 0.801 0 1746 2229 1 Cosine 0.801 18.014 18 0.7044 0 1746 3045 1 Cosine 0.7044 2.014 2 0.7895 0 1746 2473 1 Cosine 0.7895 2.015 2 0.7889 0 1746 2363 1 Cosine 0.7889 0.001 0 0.7659 0 1746 2364 1 Cosine 0.7659 2.014 2 0.7996 0 7457 7561 13 Cosine 0.7996 0.0 0 0.8751 0 917 694 34 Cosine 0.8751 2.018 2 0.7236 0 9740 7958 44 Cosine 0.7236 10.029 10 0.7761 0 4491 4110 1 Cosine 0.7761 10.027 10 0.7273 0 4491 4439 1 Cosine 0.7273 0.003 0 0.8432 0 4491 4022 1 Cosine 0.8432 0.0 0 0.8532 0 4491 4099 1 Cosine 0.8532 2.002 2 0.7306 0 4491 4153 1 Cosine 0.7306 0.0 0 0.8376 0 4491 4173 1 Cosine 0.8376 15.996 15 0.8292 0 4491 5460 1 Cosine 0.8292 -0.002 0 0.7239 0 4824 4777 48 Cosine 0.7239 -2.016 -2 0.7609 0 11445 11830 19 Cosine 0.7609 -4.032 -4 0.8967 0 11445 12491 19 Cosine 0.8967 21.982 21 0.7902 0 11445 12011 19 Cosine 0.7902 21.984 21 0.9185 0 11445 12230 19 Cosine 0.9185 164.059 164 0.7372 0 8802 7677 8 Cosine 0.7372 2.005 2 0.7437 0 8802 8583 8 Cosine 0.7437 -2.005 -2 0.8446 0 8802 8820 8 Cosine 0.8446 164.059 164 0.7454 0 8802 7621 8 Cosine 0.7454 2.005 2 0.7376 0 8802 8639 8 Cosine 0.7376 -0.01 0 0.8733 0 8802 8589 8 Cosine 0.8733 -0.011 0 0.7394 0 8802 8720 8 Cosine 0.7394 370.092 370 0.7457 0 2127 3470 1 Cosine 0.7457 354.095 354 0.8061 0 2127 2449 1 Cosine 0.8061 -0.0 0 0.9131 0 2127 2215 1 Cosine 0.9131 -322.068 -322 0.7827 0 2127 1740 1 Cosine 0.7827 -2.037 -2 0.8286 0 8898 8766 31 Cosine 0.8286 0.002 0 0.7017 0 8898 8643 31 Cosine 0.7017 0.001 0 0.8964 0 4658 4856 5 Cosine 0.8964 1.003 1 0.736 0 4658 4674 5 Cosine 0.736 386.106 386 0.7998 0 4658 4827 5 Cosine 0.7998 1.005 1 0.7489 0 4658 4855 5 Cosine 0.7489 1.979 1 0.805 0 11664 10959 20 Cosine 0.805 -88.1 -88 0.8122 0 5495 4869 1 Cosine 0.8122 -14.012 -14 0.822 0 5495 5857 1 Cosine 0.822 15.994 15 0.8589 0 5495 4526 1 Cosine 0.8589 -78.071 -78 0.8038 0 5495 4644 1 Cosine 0.8038 -146.059 -146 0.8397 0 5495 4848 1 Cosine 0.8397 0.002 0 0.8532 0 5495 5397 1 Cosine 0.8532 -14.012 -14 0.7943 0 5495 6407 1 Cosine 0.7943 198.052 198 0.727 0 7958 9151 44 Cosine 0.727 -21.981 -21 0.8586 0 4869 4641 1 Cosine 0.8586 0.002 0 0.8455 0 4869 4687 1 Cosine 0.8455 0.0 0 0.8778 0 4869 4826 1 Cosine 0.8778 -57.959 -57 0.8581 0 4869 4848 1 Cosine 0.8581 -21.982 -21 0.8934 0 4869 4850 1 Cosine 0.8934 10.028 10 0.8424 0 4869 4853 1 Cosine 0.8424 -161.226 -161 0.7094 0 9614 393 41 Cosine 0.7094 0.0 0 0.8425 0 6273 6409 1 Cosine 0.8425 -30.01 -30 0.7793 0 6273 5458 1 Cosine 0.7793 -35.978 -35 0.896 0 6273 5857 1 Cosine 0.896 -22.031 -22 0.8507 0 6273 9115 1 Cosine 0.8507 32.009 32 0.7775 0 6273 5874 1 Cosine 0.7775 35.977 35 0.8431 0 6273 6407 1 Cosine 0.8431 146.057 146 0.7678 0 6273 6612 1 Cosine 0.7678 19.975 19 0.7898 0 6273 7718 1 Cosine 0.7898 -0.0 0 0.7841 0 4690 4948 11 Cosine 0.7841 0.0 0 0.7364 0 4690 4965 11 Cosine 0.7364 15.993 15 0.7633 0 7768 5586 2 Cosine 0.7633 -0.0 0 0.7901 0 8583 4410 8 Cosine 0.7901 -2.016 -2 0.7646 0 8583 4384 8 Cosine 0.7646 162.054 162 0.7182 0 8583 7621 8 Cosine 0.7182 2.014 2 0.9112 0 8583 8589 8 Cosine 0.9112 -0.0 0 0.8938 0 8583 8639 8 Cosine 0.8938 2.016 2 0.8748 0 8583 8720 8 Cosine 0.8748 0.0 0 0.8335 0 8583 8721 8 Cosine 0.8335 4.031 4 0.7657 0 8583 8740 8 Cosine 0.7657 -0.0 0 0.7731 0 8583 8820 8 Cosine 0.7731 -14.018 -14 0.7137 0 9367 10009 58 Cosine 0.7137 132.043 132 0.7521 0 4096 4449 2 Cosine 0.7521 0.001 0 0.7008 0 4096 5075 2 Cosine 0.7008 132.043 132 0.7779 0 4096 5186 2 Cosine 0.7779 196.083 196 0.8721 0 3470 818 1 Cosine 0.8721 48.024 48 0.8711 0 3470 1740 1 Cosine 0.8711 370.092 370 0.8135 0 3470 2215 1 Cosine 0.8135 15.996 15 0.8953 0 3470 2229 1 Cosine 0.8953 13.982 13 0.86 0 3470 2363 1 Cosine 0.86 15.996 15 0.754 0 3470 2364 1 Cosine 0.754 15.997 15 0.8204 0 3470 2449 1 Cosine 0.8204 13.984 13 0.8595 0 3470 2473 1 Cosine 0.8595 15.994 15 0.7403 0 5014 4965 11 Cosine 0.7403 15.999 15 0.7469 0 5397 5819 1 Cosine 0.7469 15.993 15 0.7882 0 5397 4526 1 Cosine 0.7882 32.01 32 0.7397 0 6409 5874 1 Cosine 0.7397 -35.977 -35 0.7965 0 6409 6407 1 Cosine 0.7965 -22.031 -22 0.7823 0 6409 9115 1 Cosine 0.7823 -2.013 -2 0.8194 0 7561 7571 13 Cosine 0.8194 -3.947 -3 0.7163 0 4948 9003 11 Cosine 0.7163 0.0 0 0.7246 0 4948 4647 11 Cosine 0.7246 -0.001 0 0.7209 0 4948 3940 11 Cosine 0.7209 0.0 0 0.7987 0 4948 4965 11 Cosine 0.7987 32.011 32 0.8576 0 4644 4850 1 Cosine 0.8576 -32.01 -32 0.8271 0 4644 4641 1 Cosine 0.8271 10.027 10 0.8573 0 4644 4687 1 Cosine 0.8573 0.001 0 0.781 0 4644 4853 1 Cosine 0.781 -0.002 0 0.9425 0 6460 6691 2 Cosine 0.9425 0.002 0 0.9642 0 6460 6530 2 Cosine 0.9642 -3.95 -3 0.8651 0 6460 4725 2 Cosine 0.8651 0.002 0 0.9445 0 6460 6730 2 Cosine 0.9445 -322.097 -322 0.9036 0 6460 6739 2 Cosine 0.9036 -0.001 0 0.8973 0 6460 6888 2 Cosine 0.8973 -43.986 -43 0.7113 0 8218 8474 31 Cosine 0.7113 0.0 0 0.8255 0 11333 11262 29 Cosine 0.8255 -35.976 -35 0.7911 0 11333 11401 29 Cosine 0.7911 0.001 0 0.7815 0 27 4710 6 Cosine 0.7815 2.012 2 0.9123 0 2473 2229 1 Cosine 0.9123 2.014 2 0.874 0 2473 2449 1 Cosine 0.874 182.099 182 0.839 0 2473 818 1 Cosine 0.839 34.04 34 0.8947 0 2473 1740 1 Cosine 0.8947 -0.001 0 0.9553 0 2473 2363 1 Cosine 0.9553 2.012 2 0.84 0 2473 2364 1 Cosine 0.84 13.984 13 0.7909 0 2473 2805 1 Cosine 0.7909 -120.021 -120 0.7626 0 9677 5586 2 Cosine 0.7626 0.0 0 0.8095 0 9677 6476 2 Cosine 0.8095 -0.001 0 0.8439 0 9677 6783 2 Cosine 0.8439 -108.02 -108 0.8688 0 9677 9146 2 Cosine 0.8688 -0.001 0 0.9117 0 9677 9937 2 Cosine 0.9117 18.011 18 0.7854 0 10889 11830 19 Cosine 0.7854 15.995 15 0.7215 0 10889 12491 19 Cosine 0.7215 0.004 0 0.7263 0 8232 8517 3 Cosine 0.7263 1.003 1 0.7169 0 8232 8397 3 Cosine 0.7169 -1.004 -1 0.7102 0 8232 8207 3 Cosine 0.7102 -0.004 0 0.7896 0 8481 8219 31 Cosine 0.7896 0.0 0 0.7573 0 8481 8153 31 Cosine 0.7573 -0.008 0 0.7676 0 8481 8428 31 Cosine 0.7676 2.014 2 0.7707 0 9325 9338 15 Cosine 0.7707 -10.028 -10 0.7793 0 4099 4110 1 Cosine 0.7793 0.003 0 0.8486 0 4099 4022 1 Cosine 0.8486 15.996 15 0.8175 0 4099 5460 1 Cosine 0.8175 0.0 0 0.834 0 4099 4173 1 Cosine 0.834 146.057 146 0.8153 0 4099 4826 1 Cosine 0.8153 0.002 0 0.8122 0 8736 8631 8 Cosine 0.8122 -0.0 0 0.8305 0 8736 8567 8 Cosine 0.8305 -0.001 0 0.7005 0 5145 5017 12 Cosine 0.7005 -14.015 -14 0.7456 0 3179 2779 17 Cosine 0.7456 -14.017 -14 0.8126 0 3179 2920 17 Cosine 0.8126 0.0 0 0.8638 0 3179 3394 17 Cosine 0.8638 0.001 0 0.8901 0 6644 6560 2 Cosine 0.8901 310.127 310 0.7747 0 6644 4449 2 Cosine 0.7747 -0.002 0 0.9157 0 6644 6445 2 Cosine 0.9157 -35.978 -35 0.9109 0 6644 9938 2 Cosine 0.9109 24.0 24 0.806 0 12229 11814 19 Cosine 0.806 10.03 10 0.7937 0 12229 12011 19 Cosine 0.7937 -10.028 -10 0.9033 0 12229 12230 19 Cosine 0.9033 13.982 13 0.7213 0 9276 8163 31 Cosine 0.7213 16.999 16 0.7404 0 9276 8482 31 Cosine 0.7404 -14.015 -14 0.7109 0 3394 2779 17 Cosine 0.7109 -14.016 -14 0.7536 0 3394 2920 17 Cosine 0.7536 43.991 43 0.7759 0 8474 8212 31 Cosine 0.7759 1.982 1 0.7714 0 8474 8506 31 Cosine 0.7714 -2.016 -2 0.7402 0 5535 5539 24 Cosine 0.7402 -42.006 -42 0.7695 0 7718 9115 1 Cosine 0.7695 -16.002 -16 0.709 0 7718 6407 1 Cosine 0.709 0.0 0 0.7863 0 4396 8740 8 Cosine 0.7863 -9.946 -9 0.7919 0 3440 9003 11 Cosine 0.7919 3.956 3 0.868 0 3440 3429 11 Cosine 0.868 -45.922 -45 0.7349 0 3440 9000 11 Cosine 0.7349 -3.947 -3 0.7555 0 4965 9003 11 Cosine 0.7555 190.111 190 0.7075 0 4965 6525 11 Cosine 0.7075 360.089 360 0.7097 0 6911 6693 18 Cosine 0.7097 43.989 43 0.9131 0 4531 5420 39 Cosine 0.9131 -35.977 -35 0.8199 0 5457 5458 1 Cosine 0.8199 0.0 0 0.8593 0 5457 5819 1 Cosine 0.8593 -67.986 -67 0.8864 0 5457 5462 1 Cosine 0.8864 15.997 15 0.9274 0 5457 4319 1 Cosine 0.9274 0.021 0 0.8823 0 5457 9574 1 Cosine 0.8823 -30.009 -30 0.7965 0 5457 5857 1 Cosine 0.7965 31.992 31 0.946 0 5457 3883 1 Cosine 0.946 -21.981 -21 0.8256 0 5460 5458 1 Cosine 0.8256 -10.028 -10 0.719 0 5460 5462 1 Cosine 0.719 15.999 15 0.8271 0 5460 4022 1 Cosine 0.8271 15.996 15 0.831 0 5460 4173 1 Cosine 0.831 -0.003 0 0.8428 0 6445 6560 2 Cosine 0.8428 310.129 310 0.8006 0 6445 4449 2 Cosine 0.8006 310.129 310 0.7544 0 6445 5186 2 Cosine 0.7544 -35.98 -35 0.8725 0 6445 9938 2 Cosine 0.8725 -2.017 -2 0.7782 0 3045 3113 1 Cosine 0.7782 -32.028 -32 0.7319 0 3045 3298 1 Cosine 0.7319 -0.0 0 0.7227 0 7677 7621 8 Cosine 0.7227 -330.051 -330 0.7404 0 7677 8567 8 Cosine 0.7404 -330.054 -330 0.7211 0 7677 8631 8 Cosine 0.7211 162.054 162 0.7254 0 7677 8820 8 Cosine 0.7254 -30.01 -30 0.8862 0 5117 3428 11 Cosine 0.8862 15.995 15 0.8784 0 5117 3648 11 Cosine 0.8784 24.0 24 0.7302 0 12043 11686 9 Cosine 0.7302 0.0 0 0.0 0 12043 12039 9 MS1 annotation [M-H]- [M+FA]- dm/z=46.00717 2.0 354.096 354 0.8414 0 2215 2229 1 Cosine 0.8414 354.095 354 0.8351 0 2215 2449 1 Cosine 0.8351 -174.01 -174 0.8878 0 2215 818 1 Cosine 0.8878 -322.068 -322 0.825 0 2215 1740 1 Cosine 0.825 356.11 356 0.7873 0 2215 2363 1 Cosine 0.7873 10.028 10 0.7733 0 4173 4110 1 Cosine 0.7733 0.003 0 0.8569 0 4173 4022 1 Cosine 0.8569 2.002 2 0.7474 0 4173 4153 1 Cosine 0.7474 0.001 0 0.7181 0 8768 8642 8 Cosine 0.7181 0.001 0 0.7094 0 8768 8692 8 Cosine 0.7094 84.092 84 0.701 0 12155 13034 46 Cosine 0.701 -0.002 0 0.7124 0 12155 11988 46 Cosine 0.7124 2.026 2 0.709 0 5458 4773 1 Cosine 0.709 2.018 2 0.7911 0 5458 5040 1 Cosine 0.7911 -32.009 -32 0.7798 0 5458 5462 1 Cosine 0.7798 35.977 35 0.7584 0 5458 5819 1 Cosine 0.7584 35.998 35 0.769 0 5458 9574 1 Cosine 0.769 146.056 146 0.7638 0 4526 4843 1 Cosine 0.7638 -67.984 -67 0.7589 0 4526 4557 1 Cosine 0.7589 146.056 146 0.7291 0 4526 4950 1 Cosine 0.7291 57.961 57 0.743 0 4526 4293 1 Cosine 0.743 -57.959 -57 0.71 0 4526 4566 1 Cosine 0.71 2.016 2 0.9444 0 4526 4536 1 Cosine 0.9444 -1.0 -1 0.7033 0 8207 8517 3 Cosine 0.7033 -0.001 0 0.8093 0 8207 8397 3 Cosine 0.8093 -2.014 -2 0.7959 0 8207 8161 3 Cosine 0.7959 0.004 0 0.7215 0 8428 8219 31 Cosine 0.7215 2.022 2 0.7417 0 8428 8212 31 Cosine 0.7417 -0.001 0 0.7022 0 8927 8974 25 Cosine 0.7022 -14.013 -14 0.8115 0 9115 7177 1 Cosine 0.8115 -58.009 -58 0.8286 0 9115 5857 1 Cosine 0.8286 -58.008 -58 0.7892 0 9115 6407 1 Cosine 0.7892 -168.088 -168 0.7334 0 9115 6612 1 Cosine 0.7334 15.998 15 0.8114 0 9115 7408 1 Cosine 0.8114 -0.001 0 0.7389 0 7305 7157 57 Cosine 0.7389 -10.025 -10 0.7598 0 4022 4110 1 Cosine 0.7598 -2.016 -2 0.7003 0 12642 11878 42 Cosine 0.7003 24.0 24 0.76 0 12642 13361 42 Cosine 0.76 -2.016 -2 0.8408 0 12642 11986 42 Cosine 0.8408 -162.14 -162 0.7095 0 4244 393 41 Cosine 0.7095 -2.015 -2 0.7159 0 11696 11344 9 Cosine 0.7159 0.0 0 0.0 0 11696 11686 9 MS1 annotation [M+FA]- [M-H]- dm/z=46.00523 2.0 23.998 23 0.8052 0 11696 12039 9 Cosine 0.8052 2.015 2 0.7751 0 8720 4410 8 Cosine 0.7751 -2.016 -2 0.7684 0 8720 8820 8 Cosine 0.7684 -0.0 0 0.8245 0 8720 4384 8 Cosine 0.8245 2.016 2 0.9022 0 8720 8639 8 Cosine 0.9022 0.001 0 0.9117 0 8720 8589 8 Cosine 0.9117 2.016 2 0.799 0 8720 8740 8 Cosine 0.799 -2.015 -2 0.8438 0 8720 8721 8 Cosine 0.8438 23.999 23 0.7107 0 8720 8692 8 Cosine 0.7107 -14.012 -14 0.8962 0 5857 4319 1 Cosine 0.8962 1.984 1 0.8231 0 5857 3883 1 Cosine 0.8231 -0.001 0 0.9289 0 5857 6407 1 Cosine 0.9289 110.08 110 0.7701 0 5857 6612 1 Cosine 0.7701 -2.014 -2 0.8294 0 8161 8397 3 Cosine 0.8294 -0.002 0 0.9205 0 8567 8631 8 Cosine 0.9205 -326.046 -326 0.8282 0 4725 6739 2 Cosine 0.8282 0.001 0 0.8818 0 6888 6691 2 Cosine 0.8818 -0.003 0 0.8827 0 6888 6530 2 Cosine 0.8827 322.096 322 0.884 0 6888 6739 2 Cosine 0.884 325.115 325 0.8636 0 6888 6750 2 Cosine 0.8636 -0.003 0 0.8542 0 6888 6730 2 Cosine 0.8542 31.993 31 0.8932 0 3883 5819 1 Cosine 0.8932 15.996 15 0.9599 0 3883 4319 1 Cosine 0.9599 2.018 2 0.7532 0 3883 4536 1 Cosine 0.7532 29.974 29 0.7806 0 3883 5039 1 Cosine 0.7806 -270.155 -270 0.8767 0 843 809 32 Cosine 0.8767 142.031 142 0.7479 0 2805 1483 1 Cosine 0.7479 -30.059 -30 0.7563 0 10464 522 10 Cosine 0.7563 2.052 2 0.7119 0 640 522 10 Cosine 0.7119 -0.001 0 0.8523 0 640 1108 10 Cosine 0.8523 10.024 10 0.7933 0 4566 4557 1 Cosine 0.7933 0.002 0 0.76 0 4566 4293 1 Cosine 0.76 -59.976 -59 0.7244 0 4566 4536 1 Cosine 0.7244 15.99 15 0.7356 0 4566 5514 1 Cosine 0.7356 84.091 84 0.7815 0 11988 13034 46 Cosine 0.7815 122.059 122 0.7228 0 8766 8476 31 Cosine 0.7228 2.04 2 0.7289 0 8766 8643 31 Cosine 0.7289 42.989 42 0.7331 0 8434 8163 31 Cosine 0.7331 1.003 1 0.7131 0 8434 8476 31 Cosine 0.7131 -46.007 -46 0.8014 0 8434 8482 31 Cosine 0.8014 -45.0 -45 0.7209 0 8434 8469 31 Cosine 0.7209 32.027 32 0.8769 0 6768 4971 2 Cosine 0.8769 -0.001 0 0.9078 0 6768 6497 2 Cosine 0.9078 15.994 15 0.819 0 6768 7902 2 Cosine 0.819 -2.017 -2 0.9295 0 6768 6741 2 Cosine 0.9295 -0.001 0 0.9066 0 6768 6870 2 Cosine 0.9066 0.0 0 0.0 0 6768 6783 2 MS1 annotation [M+?]- [M+HFA+?]- dm/z=46.00658 2.0 0.001 0 0.8279 0 2920 2779 17 Cosine 0.8279 15.997 15 0.8795 0 5819 4319 1 Cosine 0.8795 0.021 0 0.8158 0 5819 9574 1 Cosine 0.8158 32.027 32 0.8613 0 4971 6497 2 Cosine 0.8613 -3.948 -3 0.8576 0 4971 6730 2 Cosine 0.8576 34.043 34 0.8801 0 4971 6741 2 Cosine 0.8801 32.025 32 0.8715 0 4971 6870 2 Cosine 0.8715 -212.323 -212 0.7667 0 12873 8808 4 Cosine 0.7667 95.786 95 0.7087 0 12873 4366 4 Cosine 0.7087 67.988 67 0.7098 0 12873 12810 4 Cosine 0.7098 -0.001 0 0.8048 0 12873 12997 4 Cosine 0.8048 0.001 0 0.7217 0 4214 4411 23 Cosine 0.7217 35.976 35 0.8751 0 9000 9003 11 Cosine 0.8751 7.967 7 0.7555 0 9000 6938 11 Cosine 0.7555 -41.966 -41 0.8273 0 9000 3429 11 Cosine 0.8273 7.964 7 0.7595 0 9000 6669 11 Cosine 0.7595 162.053 162 0.7524 0 8820 7621 8 Cosine 0.7524 -2.015 -2 0.8733 0 8820 8589 8 Cosine 0.8733 0.0 0 0.7813 0 8820 8639 8 Cosine 0.7813 -0.001 0 0.7005 0 8820 8721 8 Cosine 0.7005 -0.0 0 0.8143 0 4660 12 55 Cosine 0.8143 -325.115 -325 0.8663 0 6750 6691 2 Cosine 0.8663 -1.004 -1 0.8089 0 6750 6749 2 Cosine 0.8089 -325.118 -325 0.8475 0 6750 6530 2 Cosine 0.8475 -0.002 0 0.705 0 4221 4366 4 Cosine 0.705 308.108 308 0.7027 0 4221 8808 4 Cosine 0.7027 43.94 43 0.7374 0 6669 9003 11 Cosine 0.7374 -0.004 0 0.7296 0 6669 6938 11 Cosine 0.7296 -49.929 -49 0.7256 0 6669 3429 11 Cosine 0.7256 21.984 21 0.7955 0 13361 11986 42 Cosine 0.7955 8.027 8 0.7283 0 4110 4153 1 Cosine 0.7283 10.021 10 0.7299 0 4110 5514 1 Cosine 0.7299 -14.013 -14 0.7173 0 4110 5874 1 Cosine 0.7173 0.001 0 0.7363 0 3583 3606 22 Cosine 0.7363 308.11 308 0.7018 0 8808 4366 4 Cosine 0.7018 15.994 15 0.7029 0 3387 4532 51 Cosine 0.7029 -1.002 -1 0.7485 0 4856 4674 5 Cosine 0.7485 -386.105 -386 0.8221 0 4856 4827 5 Cosine 0.8221 -1.003 -1 0.7677 0 4856 4855 5 Cosine 0.7677 110.081 110 0.8891 0 4319 4850 1 Cosine 0.8891 110.081 110 0.8675 0 4319 4641 1 Cosine 0.8675 -35.977 -35 0.7376 0 5039 5040 1 Cosine 0.7376 164.068 164 0.7733 0 7621 8589 8 Cosine 0.7733 148.042 148 0.7591 0 3648 1718 11 Cosine 0.7591 -14.016 -14 0.8734 0 3648 3370 11 Cosine 0.8734 -158.037 -158 0.8017 0 3648 9189 11 Cosine 0.8017 15.995 15 0.7207 0 5462 4439 1 Cosine 0.7207 -30.01 -30 0.7112 0 5462 5874 1 Cosine 0.7112 68.007 68 0.8389 0 5462 9574 1 Cosine 0.8389 1.003 1 0.7465 0 11337 11344 9 Cosine 0.7465 -10.029 -10 0.9212 0 11814 11830 19 Cosine 0.9212 2.018 2 0.8336 0 8163 8212 31 Cosine 0.8336 -15.993 -15 0.7658 0 8163 8424 31 Cosine 0.7658 -2.011 -2 0.8889 0 8163 8469 31 Cosine 0.8889 43.992 43 0.8056 0 8163 8476 31 Cosine 0.8056 -3.018 -3 0.8111 0 8163 8482 31 Cosine 0.8111 47.992 47 0.7607 0 8163 8506 31 Cosine 0.7607 -0.0 0 0.7443 0 4770 4994 59 Cosine 0.7443 -1.003 -1 0.7514 0 7177 7192 1 Cosine 0.7514 -30.012 -30 0.7777 0 7177 7408 1 Cosine 0.7777 -108.021 -108 0.7929 0 9146 9937 2 Cosine 0.7929 -12.0 -12 0.7404 0 9146 5586 2 Cosine 0.7404 108.021 108 0.7499 0 9146 6476 2 Cosine 0.7499 108.019 108 0.8223 0 9146 6783 2 Cosine 0.8223 0.001 0 0.9092 0 4850 4641 1 Cosine 0.9092 21.984 21 0.8945 0 4850 4687 1 Cosine 0.8945 21.982 21 0.9196 0 4850 4826 1 Cosine 0.9196 -35.977 -35 0.8856 0 4850 4848 1 Cosine 0.8856 -32.01 -32 0.8766 0 4850 4853 1 Cosine 0.8766 -120.022 -120 0.7483 0 5586 9937 2 Cosine 0.7483 32.026 32 0.7766 0 5586 6785 2 Cosine 0.7766 -120.02 -120 0.7097 0 5586 6783 2 Cosine 0.7097 133.986 133 0.7852 0 4995 961 16 Cosine 0.7852 0.0 0 0.8228 0 4995 4729 16 Cosine 0.8228 0.0 0 0.7818 0 4995 4819 16 Cosine 0.7818 0.0 0 0.842 0 4995 4926 16 Cosine 0.842 44.026 44 0.8107 0 11958 11607 26 Cosine 0.8107 -32.009 -32 0.8349 0 4853 4641 1 Cosine 0.8349 -10.026 -10 0.84 0 4853 4687 1 Cosine 0.84 -10.027 -10 0.8477 0 4853 4826 1 Cosine 0.8477 -53.943 -53 0.7897 0 42 199 38 Cosine 0.7897 2.014 2 0.9426 0 2363 2229 1 Cosine 0.9426 -2.015 -2 0.8696 0 2363 2449 1 Cosine 0.8696 182.1 182 0.831 0 2363 818 1 Cosine 0.831 34.042 34 0.8962 0 2363 1740 1 Cosine 0.8962 -2.014 -2 0.8391 0 2363 2364 1 Cosine 0.8391 35.978 35 0.8443 0 4848 4641 1 Cosine 0.8443 15.994 15 0.8738 0 4848 6328 1 Cosine 0.8738 15.993 15 0.838 0 4848 6016 1 Cosine 0.838 57.959 57 0.8292 0 4848 4826 1 Cosine 0.8292 32.028 32 0.907 0 1740 2229 1 Cosine 0.907 32.027 32 0.8572 0 1740 2449 1 Cosine 0.8572 148.059 148 0.8653 0 1740 818 1 Cosine 0.8653 32.028 32 0.788 0 1740 2364 1 Cosine 0.788 -4.028 -4 0.751 0 5759 6165 30 Cosine 0.751 -11.965 -11 0.8325 0 430 1108 10 Cosine 0.8325 -14.016 -14 0.9379 0 430 522 10 Cosine 0.9379 -0.0 0 0.7598 0 4819 4729 16 Cosine 0.7598 0.0 0 0.7761 0 5288 5313 37 Cosine 0.7761 24.0 24 0.7969 0 12230 11830 19 Cosine 0.7969 -26.016 -26 0.9396 0 12230 12491 19 Cosine 0.9396 0.002 0 0.8483 0 12230 12011 19 Cosine 0.8483 -0.002 0 0.9516 0 6870 6497 2 Cosine 0.9516 15.995 15 0.7816 0 6870 7902 2 Cosine 0.7816 -2.018 -2 0.9417 0 6870 6741 2 Cosine 0.9417 -35.976 -35 0.7828 0 11262 11401 29 Cosine 0.7828 -5.989 -5 0.8663 0 3429 9003 11 Cosine 0.8663 -49.933 -49 0.7165 0 3429 6938 11 Cosine 0.7165 188.069 188 0.7382 0 3429 6525 11 Cosine 0.7382 1.979 1 0.7167 0 10959 11800 20 Cosine 0.7167 -10.022 -10 0.8 0 4557 4293 1 Cosine 0.8 -70.0 -70 0.771 0 4557 4536 1 Cosine 0.771 2.016 2 0.8353 0 8740 4384 8 Cosine 0.8353 4.032 4 0.7516 0 8740 8639 8 Cosine 0.7516 2.017 2 0.8147 0 8740 8589 8 Cosine 0.8147 4.031 4 0.7267 0 8740 8721 8 Cosine 0.7267 0.001 0 0.7892 0 5994 6067 49 Cosine 0.7892 -14.018 -14 0.7084 0 7379 6165 30 Cosine 0.7084 -82.037 -82 0.7518 0 7267 1718 11 Cosine 0.7518 0.0 0 0.7157 0 7267 7377 11 Cosine 0.7157 -194.058 -194 0.8071 0 9003 6525 11 Cosine 0.8071 43.944 43 0.7192 0 9003 6938 11 Cosine 0.7192 -6.029 -6 0.7214 0 7408 5622 1 Cosine 0.7214 -42.013 -42 0.7299 0 7408 5618 1 Cosine 0.7299 -2.015 -2 0.722 0 11342 11686 9 Cosine 0.722 0.0 0 0.0 0 11342 11344 9 MS1 annotation [M+HFA+?]- [M+?]- dm/z=46.0051 2.0 -42.011 -42 0.7564 0 8956 6058 1 Cosine 0.7564 -6.035 -6 0.7978 0 8956 6313 1 Cosine 0.7978 -42.011 -42 0.7667 0 8956 6016 1 Cosine 0.7667 -42.012 -42 0.7902 0 8956 6328 1 Cosine 0.7902 -35.978 -35 0.7948 0 8956 8959 1 Cosine 0.7948 -2.016 -2 0.752 0 4410 4384 8 Cosine 0.752 2.014 2 0.8115 0 4410 8589 8 Cosine 0.8115 -0.001 0 0.7863 0 4410 8639 8 Cosine 0.7863 0.0 0 0.7714 0 4410 8721 8 Cosine 0.7714 0.0 0 0.0 0 4410 4411 23 MS1 annotation [M+FA]- [M-H]- dm/z=46.00575 2.0 310.126 310 0.7319 0 4449 6560 2 Cosine 0.7319 -0.0 0 0.8214 0 4449 5186 2 Cosine 0.8214 0.004 0 0.784 0 8153 8219 31 Cosine 0.784 2.018 2 0.7252 0 8212 8219 31 Cosine 0.7252 41.974 41 0.7189 0 8212 8476 31 Cosine 0.7189 -4.03 -4 0.7719 0 8212 8469 31 Cosine 0.7719 -18.011 -18 0.7139 0 8212 8424 31 Cosine 0.7139 45.973 45 0.834 0 8212 8506 31 Cosine 0.834 2.016 2 0.7029 0 9189 9197 11 Cosine 0.7029 35.977 35 0.7949 0 9189 9187 11 Cosine 0.7949 2.016 2 0.958 0 6741 6497 2 Cosine 0.958 37.992 37 0.8653 0 6741 6730 2 Cosine 0.8653 -0.0 0 0.7113 0 2995 3298 1 Cosine 0.7113 0.0 0 0.8665 0 6016 6058 1 Cosine 0.8665 -35.975 -35 0.8088 0 6016 6313 1 Cosine 0.8088 0.001 0 0.8548 0 6016 6328 1 Cosine 0.8548 -77.988 -77 0.8152 0 6016 8959 1 Cosine 0.8152 -26.016 -26 0.7298 0 6525 3370 11 Cosine 0.7298 0.001 0 0.8554 0 6328 6058 1 Cosine 0.8554 35.976 35 0.8261 0 6328 6313 1 Cosine 0.8261 -77.989 -77 0.8064 0 6328 8959 1 Cosine 0.8064 15.991 15 0.7125 0 5514 4293 1 Cosine 0.7125 -0.001 0 0.8066 0 8589 4384 8 Cosine 0.8066 -2.015 -2 0.9108 0 8589 8639 8 Cosine 0.9108 -2.014 -2 0.8468 0 8589 8721 8 Cosine 0.8468 0.0 0 0.0 0 12310 12312 9 MS1 annotation [M+FA]- [M-H]- dm/z=46.00531 2.0 -2.017 -2 0.7351 0 12310 11686 9 Cosine 0.7351 59.977 59 0.7717 0 4293 4536 1 Cosine 0.7717 310.126 310 0.702 0 6560 5186 2 Cosine 0.702 -35.977 -35 0.8409 0 6560 9938 2 Cosine 0.8409 30.012 30 0.7585 0 3909 5075 2 Cosine 0.7585 -21.983 -21 0.8348 0 4687 4641 1 Cosine 0.8348 0.001 0 0.8714 0 4687 4826 1 Cosine 0.8714 -4.033 -4 0.7744 0 12312 11344 9 Cosine 0.7744 -26.015 -26 0.7251 0 12312 12039 9 Cosine 0.7251 -2.018 -2 0.7479 0 12312 13461 9 Cosine 0.7479 -82.036 -82 0.7323 0 1718 7377 11 Cosine 0.7323 0.0 0 0.0 0 8469 8476 31 MS1 annotation [M+?]- [M+HFA+?]- dm/z=46.00373 2.0 -1.006 -1 0.7454 0 8469 8482 31 Cosine 0.7454 13.982 13 0.7072 0 8469 8424 31 Cosine 0.7072 50.003 50 0.7503 0 8469 8506 31 Cosine 0.7503 63.977 63 0.7775 0 1671 393 41 Cosine 0.7775 -0.003 0 0.9469 0 6691 6530 2 Cosine 0.9469 0.004 0 0.9295 0 6691 6730 2 Cosine 0.9295 -322.095 -322 0.8983 0 6691 6739 2 Cosine 0.8983 -2.016 -2 0.8103 0 12491 11830 19 Cosine 0.8103 -10.027 -10 0.7113 0 12491 12490 19 Cosine 0.7113 -26.014 -26 0.8227 0 12491 12011 19 Cosine 0.8227 0.0 0 0.7066 0 3391 3180 7 Cosine 0.7066 1.982 1 0.7333 0 9338 9349 15 Cosine 0.7333 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11607 12820 -17.968 0.000 0.7359 0.4498 1 11686 11696 -46.005 0.000 0.7533 0.6443 1 11686 12043 24.000 0.000 0.7302 0.6013 1 11686 12310 -2.017 0.000 0.7351 0.6077 1 11695 12011 23.997 0.000 0.7110 0.4193 1 11695 12230 23.999 0.000 0.7567 0.4734 1 11695 12491 -2.018 0.000 0.7306 0.4096 1 11696 12039 23.998 0.000 0.8052 0.6090 1 11814 11830 -10.029 0.000 0.9212 0.7448 1 11814 12229 24.000 0.000 0.8060 0.4816 1 11829 12232 24.000 0.000 0.7274 0.2819 1 11830 12230 24.000 0.000 0.7969 0.4835 1 11830 12491 -2.016 0.000 0.8103 0.4471 1 11878 12642 -2.016 0.000 0.7003 0.3935 1 11986 12642 -2.016 0.000 0.8408 0.5355 1 11986 13361 21.984 0.000 0.7955 0.4524 1 11988 12155 -0.002 0.000 0.7124 0.3928 1 11988 13034 84.091 0.000 0.7815 0.4497 1 12011 12229 10.030 0.000 0.7937 0.5175 1 12011 12230 0.002 0.000 0.8483 0.5518 1 12011 12491 -26.014 0.000 0.8227 0.5303 1 12039 12043 46.007 0.000 0.7627 0.5624 1 12039 12312 -26.015 0.000 0.7251 0.4613 1 12039 13461 -28.033 0.000 0.7657 0.5812 1 12155 13034 84.092 0.000 0.7010 0.4755 1 12229 12230 -10.028 0.000 0.9033 0.6676 1 12230 12491 -26.016 0.000 0.9396 0.7083 1 12310 12312 -46.005 0.000 0.7112 0.5471 1 12312 13461 -2.018 0.000 0.7479 0.4798 1 12490 12491 -10.027 0.000 0.7113 0.4956 1 12642 13361 24.000 0.000 0.7600 0.4959 1 12810 12873 67.988 0.000 0.7098 0.4207 1 12810 12997 67.987 0.000 0.7249 0.3965 1 12873 12997 -0.001 0.000 0.8048 0.4203 1 nf_output/networking/clustersummary_with_network.tsv0000644000000000000000000040747414704542647022464 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_Type:GNPSGROUP:Sample1 ATTRIBUTE_Type:GNPSGROUP:Sample2 ATTRIBUTE_Type:GNPSGROUP:Sample3 ATTRIBUTE_Code:GNPSGROUP:OG16 ATTRIBUTE_Code:GNPSGROUP:OE19 ATTRIBUTE_Code:GNPSGROUP:OL22 ATTRIBUTE_Species:GNPSGROUP:O. graeca ATTRIBUTE_Species:GNPSGROUP:O. erecta ATTRIBUTE_Species:GNPSGROUP:O. leptantha component #Scan# Compound_Name 3 102.9567509451892 0.057033334 0.0 19482.783 22038.504 0.0 19482.783 22038.504 0.0 19482.783 22038.504 -1 4 164.92672908658517 0.080516666 20198.314 22921.758 0.0 20198.314 22921.758 0.0 20198.314 22921.758 0.0 -1 6 242.94315127836848 0.106866665 0.0 0.0 14318.794 0.0 0.0 14318.794 0.0 0.0 14318.794 -1 8 174.95515876338052 0.21258333 0.0 0.0 50499.516 0.0 0.0 50499.516 0.0 0.0 50499.516 53 10 134.86502954570736 0.33723333 0.0 0.0 16059.395 0.0 0.0 16059.395 0.0 0.0 16059.395 -1 11 164.92684841873526 0.33723333 0.0 0.0 25256.092 0.0 0.0 25256.092 0.0 0.0 25256.092 -1 12 255.8212103738272 0.44343334 14552.476 0.0 0.0 14552.476 0.0 0.0 14552.476 0.0 0.0 55 14 102.95679574933274 0.44343334 18148.064 0.0 0.0 18148.064 0.0 0.0 18148.064 0.0 0.0 -1 15 242.9425514265742 0.48636666 12712.038 0.0 13867.77 12712.038 0.0 13867.77 12712.038 0.0 13867.77 -1 17 174.9549929852028 0.56815 46361.23 0.0 0.0 46361.23 0.0 0.0 46361.23 0.0 0.0 53 18 164.9265290260242 0.6346 21669.508 0.0 0.0 21669.508 0.0 0.0 21669.508 0.0 0.0 -1 21 102.95669714993691 0.71888334 0.0 0.0 21994.982 0.0 0.0 21994.982 0.0 0.0 21994.982 -1 24 164.92651486575662 0.8182 0.0 21320.166 0.0 0.0 21320.166 0.0 0.0 21320.166 0.0 -1 25 174.95476491254738 0.8283917 0.0 45064.105 47867.74 0.0 45064.105 47867.74 0.0 45064.105 47867.74 -1 27 255.82166062303108 0.85733336 13920.6 0.0 0.0 13920.6 0.0 0.0 13920.6 0.0 0.0 6 28 242.94270710663625 1.0209334 0.0 0.0 13814.688 0.0 0.0 13814.688 0.0 0.0 13814.688 -1 42 272.9576953884091 1.1536334 121898.23 0.0 832670.8 121898.23 0.0 832670.8 121898.23 0.0 832670.8 38 42.0 (S)-MALATE 49 158.97738539997613 1.1788722 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 -1 50 226.9643775532686 1.1516334 0.0 62226.78 0.0 0.0 62226.78 0.0 0.0 62226.78 0.0 -1 57 322.1133667379883 1.1793333 233481.84 0.0 0.0 233481.84 0.0 0.0 233481.84 0.0 0.0 -1 113 232.08135647177505 1.2175833 342834.6 0.0 0.0 342834.6 0.0 0.0 342834.6 0.0 0.0 -1 113.0 Phloridzin - 30.0 eV 154 280.9064083120511 1.2733 0.0 161803.12 0.0 0.0 161803.12 0.0 0.0 161803.12 0.0 -1 199 326.9009987364341 1.31955 0.0 0.0 184274.9 0.0 0.0 184274.9 0.0 0.0 184274.9 38 199.0 Bafilomycin Cl 218 128.95902957283622 1.3341278 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 -1 219 296.8808599993093 1.3341278 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 -1 220 380.8410906258793 1.34995 0.0 203847.08 0.0 0.0 203847.08 0.0 0.0 203847.08 0.0 -1 270 216.0865670682372 1.4326667 0.0 0.0 397162.66 0.0 0.0 397162.66 0.0 0.0 397162.66 -1 290 170.08116294188977 1.4692333 0.0 0.0 1046952.4 0.0 0.0 1046952.4 0.0 0.0 1046952.4 -1 323 471.0733688479993 1.5006167 0.0 393905.44 0.0 0.0 393905.44 0.0 0.0 393905.44 0.0 -1 323.0 alpha,alpha-Trehalose - 40.0 eV 382 322.1147187473182 1.4831333 382839.0 0.0 0.0 382839.0 0.0 0.0 382839.0 0.0 0.0 -1 392 239.0776433098742 1.5575583 0.0 701897.25 814761.0 0.0 701897.25 814761.0 0.0 701897.25 814761.0 -1 393 387.11414429466186 1.53275 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 41 393.0 Arabitol 413 341.1091243835329 1.5450388 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 -1 430 278.1253263602286 1.5554167 2152123.8 0.0 0.0 2152123.8 0.0 0.0 2152123.8 0.0 0.0 10 430.0 Massbank:PR303058 Petunidin-3-O-beta-glucoside 522 292.1412018952949 1.5554167 2349752.0 0.0 0.0 2349752.0 0.0 0.0 2349752.0 0.0 0.0 10 522.0 Polydatin 548 177.07634529718433 1.61335 0.0 0.0 1480046.6 0.0 0.0 1480046.6 0.0 0.0 1480046.6 47 548.0 Erythritol - 30.0 eV 640 290.08915719629806 1.6624 3875673.8 0.0 0.0 3875673.8 0.0 0.0 3875673.8 0.0 0.0 10 640.0 Massbank:PR308174 Indole-3-acetyl-L-leucine 694 133.01540560538447 1.68355 0.0 2280436.0 0.0 0.0 2280436.0 0.0 0.0 2280436.0 0.0 34 694.0 TARTRATE 746 618.2285222985394 1.698 757666.4 0.0 0.0 757666.4 0.0 0.0 757666.4 0.0 0.0 -1 803 135.03041180383136 1.7565334 0.0 0.0 601554.94 0.0 0.0 601554.94 0.0 0.0 601554.94 -1 809 429.0703462095502 1.758 0.0 193565.34 0.0 0.0 193565.34 0.0 0.0 193565.34 0.0 32 812 209.06798929580447 1.758 0.0 193975.83 0.0 0.0 193975.83 0.0 0.0 193975.83 0.0 -1 818 533.1749982581882 1.7927166 0.0 0.0 3441563.8 0.0 0.0 3441563.8 0.0 0.0 3441563.8 1 818.0 Chlorogenic Acid 819 165.0411091334315 1.78575 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 21 819.0 ARABINOSE 826 179.05681439148083 1.82885 0.0 0.0 442448.88 0.0 0.0 442448.88 0.0 0.0 442448.88 -1 827 191.0563511523059 1.799625 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 -1 843 699.224903071726 1.8198667 345708.1 174612.05 0.0 345708.1 174612.05 0.0 345708.1 174612.05 0.0 32 843.0 1-hydroxyanthraquinone 846 195.0515000310254 1.8228611 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 21 846.0 L-(?)-Sorbose - 40.0 eV 905 115.0056782876462 1.91005 0.0 313040.22 0.0 0.0 313040.22 0.0 0.0 313040.22 0.0 -1 917 133.01504339631828 1.910175 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 34 917.0 L-threonic acid - 40.0 eV 941 794.2600182543151 1.9185 239636.06 0.0 0.0 239636.06 0.0 0.0 239636.06 0.0 0.0 -1 945 267.0738332757238 1.95575 332792.62 0.0 0.0 332792.62 0.0 0.0 332792.62 0.0 0.0 -1 946 377.0888908773292 1.9224167 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 -1 961 439.0908563836838 1.91005 0.0 736387.1 0.0 0.0 736387.1 0.0 0.0 736387.1 0.0 16 961.0 INOSINE 5'-PHOSPHATE 997 215.0336793267746 1.9923167 664804.2 0.0 0.0 664804.2 0.0 0.0 664804.2 0.0 0.0 -1 1033 366.1353342363912 2.0488167 0.0 0.0 419620.38 0.0 0.0 419620.38 0.0 0.0 419620.38 -1 1099 200.0575271274897 2.0648334 687691.25 0.0 0.0 687691.25 0.0 0.0 687691.25 0.0 0.0 -1 1104 405.152910124191 2.0648334 4224918.0 0.0 0.0 4224918.0 0.0 0.0 4224918.0 0.0 0.0 -1 1108 290.089947132568 2.0804777 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 10 1108.0 Massbank:PR309145 N-Fructosyl isoleucine 1110 339.1312968292781 2.0845168 0.0 0.0 2930206.0 0.0 0.0 2930206.0 0.0 0.0 2930206.0 41 1110.0 ReSpect:PT205430 D-Sorbitol|D-Sorbit|D-Glucitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbol|Cystosol|Glucarine|Diakarmon|Esasorb|Sorbol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol 1134 133.01532825694477 2.0920832 0.0 3090579.5 0.0 0.0 3090579.5 0.0 0.0 3090579.5 0.0 -1 1230 191.0207133583248 2.1241167 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 -1 1230.0 Citric acid 1245 177.07673164509933 2.1284165 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 47 1245.0 Nimodipine 1420 197.0459634483982 2.2506418 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 -1 1431 515.1447095761437 2.2454166 204038.78 0.0 0.0 204038.78 0.0 0.0 204038.78 0.0 0.0 -1 1431.0 NCGC00385218-01!7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 1432 448.1774094975533 2.22885 0.0 0.0 1066166.1 0.0 0.0 1066166.1 0.0 0.0 1066166.1 -1 1452 103.00551150090584 2.30995 0.0 204194.9 0.0 0.0 204194.9 0.0 0.0 204194.9 0.0 -1 1483 479.1224386314688 2.2833166 543078.3 0.0 0.0 543078.3 0.0 0.0 543078.3 0.0 0.0 1 1483.0 Massbank:PR309013 Coumaroyl quinic acid (isomer of 758, 760) 1512 295.02617183908734 2.30995 0.0 475704.5 0.0 0.0 475704.5 0.0 0.0 475704.5 0.0 -1 1512.0 2'-Deoxyadenosine cyclic 3',5'-(hydrogen phosphate) 1527 232.08428929624463 2.30995 0.0 352893.84 0.0 0.0 352893.84 0.0 0.0 352893.84 0.0 -1 1527.0 INOSINE 1528 377.0892377454575 2.3206666 222317.72 0.0 0.0 222317.72 0.0 0.0 222317.72 0.0 0.0 -1 1622 450.1922169580604 2.3720334 0.0 0.0 2539281.0 0.0 0.0 2539281.0 0.0 0.0 2539281.0 -1 1622.0 2-butoxy-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide 1671 323.13674643639456 2.4075668 0.0 0.0 365697.94 0.0 0.0 365697.94 0.0 0.0 365697.94 41 1671.0 trehalose 1702 215.03364418048525 2.4326832 350185.25 0.0 0.0 350185.25 0.0 0.0 350185.25 0.0 0.0 -1 1718 315.0756838120277 2.5004 0.0 399445.3 0.0 0.0 399445.3 0.0 0.0 399445.3 0.0 11 1718.0 Arbutin - 40.0 eV 1740 385.11611945143386 2.472 442167.9 0.0 0.0 442167.9 0.0 0.0 442167.9 0.0 0.0 1 1740.0 CHLOROGENIC ACID 1746 353.08949614810695 2.4763083 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 1 1746.0 Chlorogenic Acid 1856 290.0893989430238 2.5486667 218594.56 0.0 0.0 218594.56 0.0 0.0 218594.56 0.0 0.0 10 1856.0 Massbank:PR309145 N-Fructosyl isoleucine 1882 437.1255841190777 2.5551167 0.0 0.0 453828.2 0.0 0.0 453828.2 0.0 0.0 453828.2 -1 1928 553.2104565274899 2.5916667 0.0 0.0 901922.94 0.0 0.0 901922.94 0.0 0.0 901922.94 -1 1968 161.08279745788388 2.6642168 0.0 0.0 695819.25 0.0 0.0 695819.25 0.0 0.0 695819.25 -1 2029 219.0879893075484 2.7380166 0.0 0.0 4225913.5 0.0 0.0 4225913.5 0.0 0.0 4225913.5 -1 2033 195.81132024426088 2.7348666 148436.16 0.0 0.0 148436.16 0.0 0.0 148436.16 0.0 0.0 -1 2104 421.1640021664064 2.7747166 134013.89 0.0 0.0 134013.89 0.0 0.0 134013.89 0.0 0.0 -1 2127 707.1844127193456 2.8111832 0.0 0.0 1394199.0 0.0 0.0 1394199.0 0.0 0.0 1394199.0 1 2127.0 19870-46-3 2138 411.049196860193 2.8544667 124634.695 0.0 0.0 124634.695 0.0 0.0 124634.695 0.0 0.0 -1 2138.0 Neochlorogenic acid 2194 191.05658268360483 2.9230332 728566.8 0.0 1054277.5 728566.8 0.0 1054277.5 728566.8 0.0 1054277.5 -1 2214 705.1700263675883 2.9275334 1159505.6 0.0 0.0 1159505.6 0.0 0.0 1159505.6 0.0 0.0 1 2214.0 19870-46-3 2215 707.1845653785455 2.9275334 2246697.5 0.0 0.0 2246697.5 0.0 0.0 2246697.5 0.0 0.0 1 2215.0 Chlorogenic Acid 2228 351.07374688844425 2.9592085 918565.94 0.0 568990.56 918565.94 0.0 568990.56 918565.94 0.0 568990.56 1 2228.0 Spectral Match to Chlorogenic acid from NIST14 2229 353.0881766513112 2.9592085 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 1 2229.0 Chlorogenic Acid 2252 727.1525032617407 2.9653666 104728.01 0.0 0.0 104728.01 0.0 0.0 104728.01 0.0 0.0 50 2252.0 Chlorogenic acid 2253 729.1677209713826 2.9653666 388049.78 0.0 0.0 388049.78 0.0 0.0 388049.78 0.0 0.0 50 2253.0 phellopterin 2319 215.0339121275153 3.1212666 99486.18 0.0 0.0 99486.18 0.0 0.0 99486.18 0.0 0.0 -1 2334 411.048417203038 3.1212666 164952.0 0.0 0.0 164952.0 0.0 0.0 164952.0 0.0 0.0 -1 2354 490.1859424301567 3.1728 0.0 0.0 2853054.0 0.0 0.0 2853054.0 0.0 0.0 2853054.0 -1 2363 351.0745081087651 3.1977832 295337.5 0.0 0.0 295337.5 0.0 0.0 295337.5 0.0 0.0 1 2363.0 Chlorogenic acid - 40.0 eV 2364 353.0881410821196 3.1977832 2172778.5 0.0 0.0 2172778.5 0.0 0.0 2172778.5 0.0 0.0 1 2364.0 CHLOROGENIC ACID 2376 707.1836779029029 3.1977832 265176.2 0.0 0.0 265176.2 0.0 0.0 265176.2 0.0 0.0 1 2376.0 Massbank:FIO00935 Cynarine 2397 195.8105053375688 3.2732 253251.19 0.0 0.0 253251.19 0.0 0.0 253251.19 0.0 0.0 -1 2423 290.09069998323275 3.3917 81929.39 0.0 0.0 81929.39 0.0 0.0 81929.39 0.0 0.0 -1 2423.0 MEGxp0_000146 2435 191.05570962399017 3.433 83673.32 0.0 0.0 83673.32 0.0 0.0 83673.32 0.0 0.0 -1 2449 353.08952990521385 3.46555 0.0 0.0 1148628.0 0.0 0.0 1148628.0 0.0 0.0 1148628.0 1 2449.0 Chlorogenic Acid 2473 351.07576107605297 3.5471666 123006.94 0.0 0.0 123006.94 0.0 0.0 123006.94 0.0 0.0 1 2473.0 CHLOROGENIC ACID 2482 154.08687807123627 3.5471666 62217.64 0.0 0.0 62217.64 0.0 0.0 62217.64 0.0 0.0 -1 2498 137.022273343035 3.611425 324479.5 423389.1 0.0 324479.5 423389.1 0.0 324479.5 423389.1 0.0 27 2498.0 Massbank:FIO00673 3-Hydroxyanthranilic acid 2540 429.15523031518575 3.6505666 0.0 0.0 439068.75 0.0 0.0 439068.75 0.0 0.0 439068.75 -1 2632 219.08689738002747 3.76145 0.0 0.0 470564.97 0.0 0.0 470564.97 0.0 0.0 470564.97 -1 2646 502.2292442429328 3.76145 0.0 0.0 433585.03 0.0 0.0 433585.03 0.0 0.0 433585.03 -1 2702 179.0288888800202 3.8618166 0.0 279698.0 0.0 0.0 279698.0 0.0 0.0 279698.0 0.0 -1 2729 365.1799062535359 3.8735332 95895.11 0.0 0.0 95895.11 0.0 0.0 95895.11 0.0 0.0 -1 2745 137.02203055603036 3.9062834 549641.3 308965.2 0.0 549641.3 308965.2 0.0 549641.3 308965.2 0.0 40 2745.0 10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione 2764 246.09162656655047 3.9374666 0.0 304079.22 0.0 0.0 304079.22 0.0 0.0 304079.22 0.0 -1 2779 397.11718053321226 3.9469166 0.0 0.0 1097874.2 0.0 0.0 1097874.2 0.0 0.0 1097874.2 17 2798 177.01652122846343 3.9828 127615.7 385418.97 0.0 127615.7 385418.97 0.0 127615.7 385418.97 0.0 -1 2798.0 Massbank:RP016713 Caffeic acid|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2805 337.0915596725163 3.9905 477237.0 0.0 0.0 477237.0 0.0 0.0 477237.0 0.0 0.0 1 2805.0 3-O-Feruloylquinic acid 2860 158.07934808370027 4.0929 0.0 120655.21 0.0 0.0 120655.21 0.0 0.0 120655.21 0.0 -1 2880 311.07713876414766 4.1329665 0.0 0.0 399090.84 0.0 0.0 399090.84 0.0 0.0 399090.84 45 2903 429.15348280184537 4.17075 0.0 0.0 132446.92 0.0 0.0 132446.92 0.0 0.0 132446.92 -1 2908 492.1995309104438 4.17075 0.0 0.0 159861.44 0.0 0.0 159861.44 0.0 0.0 159861.44 -1 2920 397.1158083185669 4.1846666 752659.75 0.0 0.0 752659.75 0.0 0.0 752659.75 0.0 0.0 17 2923 365.1797048864688 4.14455 148540.11 0.0 0.0 148540.11 0.0 0.0 148540.11 0.0 0.0 -1 2923.0 1,3-Dicaffeoylquinic acid 2932 131.0708652887759 4.3012834 112354.49 0.0 0.0 112354.49 0.0 0.0 112354.49 0.0 0.0 -1 2936 246.0949273962716 4.2174335 0.0 213910.89 0.0 0.0 213910.89 0.0 0.0 213910.89 0.0 -1 2940 303.89299267903 4.25935 0.0 67171.02 0.0 0.0 67171.02 0.0 0.0 67171.02 0.0 -1 2959 179.03337169222468 4.2579226 547135.7 669056.06 941369.94 547135.7 669056.06 941369.94 547135.7 669056.06 941369.94 -1 2993 230.0999366790276 4.302233 0.0 80981.2 0.0 0.0 80981.2 0.0 0.0 80981.2 0.0 -1 2995 367.10333766523775 4.3296337 0.0 0.0 460448.53 0.0 0.0 460448.53 0.0 0.0 460448.53 1 2995.0 methyl chlorogenate 3045 335.0754956022755 4.4629083 84520.36 84354.375 0.0 84520.36 84354.375 0.0 84520.36 84354.375 0.0 1 3045.0 MEGxp0_001651 (Chimeric precursor selection) 3055 136.07628906597364 4.4579334 107610.07 0.0 0.0 107610.07 0.0 0.0 107610.07 0.0 0.0 -1 3057 161.08075152835886 4.4802833 0.0 0.0 322766.22 0.0 0.0 322766.22 0.0 0.0 322766.22 -1 3061 212.09141105989443 4.4966664 152056.55 0.0 0.0 152056.55 0.0 0.0 152056.55 0.0 0.0 -1 3095 175.09490575046877 4.5530167 0.0 72758.32 0.0 0.0 72758.32 0.0 0.0 72758.32 0.0 -1 3113 337.09221298967753 4.564892 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 1 3113.0 MEGxp0_001651 (Chimeric precursor selection) 3136 379.1044943182807 4.617 55174.434 0.0 0.0 55174.434 0.0 0.0 55174.434 0.0 0.0 -1 3137 377.08835386133137 4.6143503 0.0 61602.227 115914.36 0.0 61602.227 115914.36 0.0 61602.227 115914.36 -1 3160 172.09620556839906 4.6292 70773.086 61815.18 0.0 70773.086 61815.18 0.0 70773.086 61815.18 0.0 -1 3161 311.0754918813472 4.657217 0.0 174447.6 517818.44 0.0 174447.6 517818.44 0.0 174447.6 517818.44 45 3161.0 2-HBA 3174 230.1009837607366 4.68295 0.0 59851.71 0.0 0.0 59851.71 0.0 0.0 59851.71 0.0 -1 3174.0 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:205060 3179 411.1324849164049 4.7043333 688745.1 0.0 696354.25 688745.1 0.0 696354.25 688745.1 0.0 696354.25 17 3179.0 ellipticine 3180 381.1220184290784 4.7056665 0.0 0.0 123573.07 0.0 0.0 123573.07 0.0 0.0 123573.07 7 3180.0 Massbank:PR309344 Licodione base + 2Prenyl 3225 188.0352434366336 4.8200836 54952.547 40705.645 0.0 54952.547 40705.645 0.0 54952.547 40705.645 0.0 -1 3225.0 3-Hydroxyphenylacetic acid CollisionEnergy:205060 3226 161.08100607695954 4.82335 0.0 0.0 312472.12 0.0 0.0 312472.12 0.0 0.0 312472.12 -1 3248 203.09146684846104 4.864033 0.0 0.0 215721.11 0.0 0.0 215721.11 0.0 0.0 215721.11 -1 3253 521.201153719686 4.864033 0.0 0.0 99324.19 0.0 0.0 99324.19 0.0 0.0 99324.19 -1 3278 381.12075139141865 4.9467835 46281.41 0.0 0.0 46281.41 0.0 0.0 46281.41 0.0 0.0 -1 3296 239.0891007316177 4.9936 0.0 104882.73 0.0 0.0 104882.73 0.0 0.0 104882.73 0.0 -1 3298 367.1038213849688 5.021283 0.0 0.0 999226.2 0.0 0.0 999226.2 0.0 0.0 999226.2 1 3298.0 3-O-Feruloylquinic acid 3310 121.0290594593065 5.0401 0.0 76637.32 0.0 0.0 76637.32 0.0 0.0 76637.32 0.0 -1 3322 503.2228494546129 5.075967 45606.02 0.0 0.0 45606.02 0.0 0.0 45606.02 0.0 0.0 -1 3323 513.2516482599715 5.075967 37526.55 0.0 0.0 37526.55 0.0 0.0 37526.55 0.0 0.0 -1 3330 203.09151509254391 5.0998335 0.0 0.0 204429.94 0.0 0.0 204429.94 0.0 0.0 204429.94 -1 3370 153.01832959659984 5.1738167 0.0 44094.8 0.0 0.0 44094.8 0.0 0.0 44094.8 0.0 11 3370.0 HOMOGENTISIC ACID 3376 188.03599409787765 5.2204165 0.0 52534.4 0.0 0.0 52534.4 0.0 0.0 52534.4 0.0 -1 3387 366.1171577499664 5.2686334 0.0 59193.926 0.0 0.0 59193.926 0.0 0.0 59193.926 0.0 51 3391 381.12188720443214 5.29315 0.0 0.0 136286.48 0.0 0.0 136286.48 0.0 0.0 136286.48 7 3394 411.1323459693694 5.311533 855743.94 0.0 505746.7 855743.94 0.0 505746.7 855743.94 0.0 505746.7 17 3394.0 ellipticine 3400 363.1468509774164 5.3335166 0.0 0.0 358707.47 0.0 0.0 358707.47 0.0 0.0 358707.47 -1 3421 567.2094730186775 5.4156666 0.0 0.0 74521.62 0.0 0.0 74521.62 0.0 0.0 74521.62 -1 3427 165.01816762125 5.4162664 0.0 30591.951 0.0 0.0 30591.951 0.0 0.0 30591.951 0.0 -1 3428 121.0288924945138 5.4162664 0.0 154003.69 0.0 0.0 154003.69 0.0 0.0 154003.69 0.0 11 3428.0 1-HYDROXYPYRENE 3429 367.10245170108726 5.4561334 1242482.5 0.0 0.0 1242482.5 0.0 0.0 1242482.5 0.0 0.0 11 3429.0 Methyl chlorogenate 3440 363.14614170784034 5.4955335 88144.58 0.0 0.0 88144.58 0.0 0.0 88144.58 0.0 0.0 11 3440.0 Methyl chlorogenate 3454 565.1933132217255 5.5406666 0.0 0.0 91288.05 0.0 0.0 91288.05 0.0 0.0 91288.05 -1 3470 337.092056411906 5.62285 278937.28 0.0 0.0 278937.28 0.0 0.0 278937.28 0.0 0.0 1 3470.0 Chlorogenic acid - 40.0 eV 3490 173.0803807016406 5.68735 0.0 49834.668 0.0 0.0 49834.668 0.0 0.0 49834.668 0.0 -1 3490.0 Octanedioic acid 3522 203.0911553246677 5.7846 0.0 0.0 64995.34 0.0 0.0 64995.34 0.0 0.0 64995.34 -1 3527 345.1527135980564 5.8084 36598.598 0.0 0.0 36598.598 0.0 0.0 36598.598 0.0 0.0 -1 3531 595.1691776172034 5.8084 82238.94 0.0 0.0 82238.94 0.0 0.0 82238.94 0.0 0.0 -1 3578 143.07039899142404 6.05855 54845.69 0.0 0.0 54845.69 0.0 0.0 54845.69 0.0 0.0 -1 3583 363.146750471933 6.0813 0.0 0.0 334332.94 0.0 0.0 334332.94 0.0 0.0 334332.94 22 3594 167.03444219314326 6.105255 72457.81 177003.48 122008.55 72457.81 177003.48 122008.55 72457.81 177003.48 122008.55 -1 3601 173.08021333963987 6.134733 0.0 81681.16 0.0 0.0 81681.16 0.0 0.0 81681.16 0.0 -1 3606 363.1457068979871 6.1831 112315.016 0.0 0.0 112315.016 0.0 0.0 112315.016 0.0 0.0 22 3618 617.1966483721759 6.2222333 0.0 71819.1 0.0 0.0 71819.1 0.0 0.0 71819.1 0.0 -1 3624 595.1667849523443 6.27265 206055.17 0.0 0.0 206055.17 0.0 0.0 206055.17 0.0 0.0 -1 3624.0 neoeriocitrin 3625 371.0767963176903 6.2744393 48033.934 104767.52 96852.96 48033.934 104767.52 96852.96 48033.934 104767.52 96852.96 -1 3638 309.0963224952004 6.3176584 52748.594 29442.809 0.0 52748.594 29442.809 0.0 52748.594 29442.809 0.0 -1 3638.0 Massbank:PR305564 3-Hydroxycinnamic acid 3648 167.03391482893443 6.3606334 0.0 0.0 133472.48 0.0 0.0 133472.48 0.0 0.0 133472.48 11 3648.0 ALPHA-ARBUTIN 3657 557.1756039048771 6.405383 64779.344 0.0 0.0 64779.344 0.0 0.0 64779.344 0.0 0.0 -1 3670 521.2013280097731 6.443683 38773.195 0.0 189711.7 38773.195 0.0 189711.7 38773.195 0.0 189711.7 -1 3670.0 Massbank:PR307949 Lariciresinol 3688 557.1770689480131 6.5221667 0.0 0.0 466038.78 0.0 0.0 466038.78 0.0 0.0 466038.78 -1 3689 609.143839505109 6.5350833 746714.8 0.0 0.0 746714.8 0.0 0.0 746714.8 0.0 0.0 1 3689.0 Massbank:PR306154 Eriodictyol-7-O-rutinoside 3703 567.2083328209328 6.5997834 0.0 0.0 233797.33 0.0 0.0 233797.33 0.0 0.0 233797.33 -1 3711 211.024177194864 6.62765 0.0 32722.16 0.0 0.0 32722.16 0.0 0.0 32722.16 0.0 -1 3718 167.03372921624745 6.6724834 120891.01 299785.22 226736.03 120891.01 299785.22 226736.03 120891.01 299785.22 226736.03 -1 3722 537.2082917297138 6.676717 0.0 0.0 202246.2 0.0 0.0 202246.2 0.0 0.0 202246.2 -1 3725 547.2392872574025 6.717167 0.0 0.0 163972.55 0.0 0.0 163972.55 0.0 0.0 163972.55 -1 3725.0 NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid 3735 439.1279727107519 6.7552333 0.0 0.0 80140.31 0.0 0.0 80140.31 0.0 0.0 80140.31 -1 3746 565.1930882743895 6.8353 0.0 0.0 384396.97 0.0 0.0 384396.97 0.0 0.0 384396.97 -1 3754 569.2346589742798 6.8647666 80316.64 0.0 0.0 80316.64 0.0 0.0 80316.64 0.0 0.0 -1 3760 555.1642537307556 6.8749833 0.0 0.0 375945.03 0.0 0.0 375945.03 0.0 0.0 375945.03 -1 3762 413.1454188949238 6.9171834 0.0 0.0 93259.01 0.0 0.0 93259.01 0.0 0.0 93259.01 -1 3778 587.1886308171237 6.95075 61712.062 0.0 0.0 61712.062 0.0 0.0 61712.062 0.0 0.0 -1 3789 537.1027011962802 6.993933 65219.133 0.0 0.0 65219.133 0.0 0.0 65219.133 0.0 0.0 -1 3799 163.0388146677241 7.0368667 100630.2 0.0 0.0 100630.2 0.0 0.0 100630.2 0.0 0.0 -1 3801 363.1470948018672 7.0393167 0.0 0.0 146119.7 0.0 0.0 146119.7 0.0 0.0 146119.7 -1 3822 587.1860289567087 7.16715 0.0 52312.91 0.0 0.0 52312.91 0.0 0.0 52312.91 0.0 -1 3831 551.2121809412316 7.1694665 49972.695 0.0 0.0 49972.695 0.0 0.0 49972.695 0.0 0.0 -1 3834 174.0544836221497 7.210533 0.0 88400.48 0.0 0.0 88400.48 0.0 0.0 88400.48 0.0 -1 3843 537.1028534148953 7.2101665 63025.742 0.0 0.0 63025.742 0.0 0.0 63025.742 0.0 0.0 -1 3843.0 rosmarinic acid 3844 569.2350462035936 7.2101665 65540.45 0.0 0.0 65540.45 0.0 0.0 65540.45 0.0 0.0 -1 3863 163.03874176621957 7.3330336 0.0 57784.562 101737.57 0.0 57784.562 101737.57 0.0 57784.562 101737.57 -1 3883 609.1447046395756 7.3795166 1398300.5 0.0 0.0 1398300.5 0.0 0.0 1398300.5 0.0 0.0 1 3883.0 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV 3909 785.2504094857962 7.495 0.0 0.0 143555.5 0.0 0.0 143555.5 0.0 0.0 143555.5 2 3909.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 3925 625.139928255315 7.53845 187480.38 0.0 0.0 187480.38 0.0 0.0 187480.38 0.0 0.0 -1 3931 477.1246778194632 7.58075 68615.56 0.0 0.0 68615.56 0.0 0.0 68615.56 0.0 0.0 -1 3938 569.2361055861566 7.623 62801.668 0.0 0.0 62801.668 0.0 0.0 62801.668 0.0 0.0 -1 3940 369.1440711196251 7.63725 0.0 68487.46 0.0 0.0 68487.46 0.0 0.0 68487.46 0.0 11 3940.0 NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match] 3941 525.1020141760074 7.63725 0.0 60641.65 0.0 0.0 60641.65 0.0 0.0 60641.65 0.0 -1 3945 395.1378587505287 7.6640835 0.0 0.0 125901.3 0.0 0.0 125901.3 0.0 0.0 125901.3 -1 3963 533.2591128410654 7.7089667 77398.11 0.0 0.0 77398.11 0.0 0.0 77398.11 0.0 0.0 -1 3967 581.2201611354795 7.757467 0.0 198826.08 0.0 0.0 198826.08 0.0 0.0 198826.08 0.0 -1 3968 413.1453039109616 7.7467165 0.0 0.0 166646.7 0.0 0.0 166646.7 0.0 0.0 166646.7 -1 3968.0 NCGC00385728-01 3977 174.05466764689578 7.757467 0.0 137110.84 0.0 0.0 137110.84 0.0 0.0 137110.84 0.0 -1 3978 163.0389977132467 7.7778945 134808.4 89716.74 172754.28 134808.4 89716.74 172754.28 134808.4 89716.74 172754.28 -1 3991 617.1973915935637 7.7977834 0.0 277490.44 0.0 0.0 277490.44 0.0 0.0 277490.44 0.0 -1 3997 721.1971939829808 7.828417 80168.51 0.0 0.0 80168.51 0.0 0.0 80168.51 0.0 0.0 -1 4020 617.2005640805664 7.9096165 0.0 0.0 73402.23 0.0 0.0 73402.23 0.0 0.0 73402.23 -1 4022 651.1093665303861 7.915983 93606.766 0.0 0.0 93606.766 0.0 0.0 93606.766 0.0 0.0 1 4022.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4023 661.1367444421619 7.915983 67087.2 0.0 0.0 67087.2 0.0 0.0 67087.2 0.0 0.0 1 4023.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4042 324.05346210623384 7.9610167 0.0 37520.184 0.0 0.0 37520.184 0.0 0.0 37520.184 0.0 -1 4043 721.194203731545 7.9610167 0.0 69058.305 0.0 0.0 69058.305 0.0 0.0 69058.305 0.0 -1 4058 363.1469410727651 8.03235 83642.83 0.0 0.0 83642.83 0.0 0.0 83642.83 0.0 0.0 -1 4067 405.1653735481514 8.093634 0.0 22225.732 0.0 0.0 22225.732 0.0 0.0 22225.732 0.0 -1 4076 539.2227214470597 8.15445 0.0 0.0 197203.33 0.0 0.0 197203.33 0.0 0.0 197203.33 -1 4078 549.2541155967807 8.15445 0.0 0.0 160582.53 0.0 0.0 160582.53 0.0 0.0 160582.53 -1 4089 551.2081425430645 8.191116 0.0 29574.137 0.0 0.0 29574.137 0.0 0.0 29574.137 0.0 -1 4096 755.2393413639733 8.196716 0.0 0.0 297543.75 0.0 0.0 297543.75 0.0 0.0 297543.75 2 4096.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 4099 651.1065794881372 8.206833 103480.336 0.0 0.0 103480.336 0.0 0.0 103480.336 0.0 0.0 1 4099.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4108 593.1486997711334 8.250633 7913136.5 0.0 0.0 7913136.5 0.0 0.0 7913136.5 0.0 0.0 1 4108.0 Massbank:PR306110 Kaempferol-3-O-rhamnoside 4110 661.1346569559385 8.250633 79537.89 0.0 0.0 79537.89 0.0 0.0 79537.89 0.0 0.0 1 4110.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4117 756.2425434313994 8.281183 0.0 0.0 117442.195 0.0 0.0 117442.195 0.0 0.0 117442.195 -1 4136 607.1293083012567 8.387983 26383.104 0.0 0.0 26383.104 0.0 0.0 26383.104 0.0 0.0 -1 4153 653.1080510404753 8.479716 39903.312 0.0 0.0 39903.312 0.0 0.0 39903.312 0.0 0.0 1 4156 395.136946540212 8.503767 60857.297 0.0 124292.945 60857.297 0.0 124292.945 60857.297 0.0 124292.945 -1 4161 339.0503850821456 8.523467 0.0 0.0 60039.97 0.0 0.0 60039.97 0.0 0.0 60039.97 -1 4173 651.1062573273746 8.567033 95269.945 0.0 0.0 95269.945 0.0 0.0 95269.945 0.0 0.0 1 4173.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4201 607.1267725623109 8.713249 26328.768 0.0 0.0 26328.768 0.0 0.0 26328.768 0.0 0.0 1 4201.0 Massbank:PR306387 Quercetin-3-O-rutinoside 4211 595.1389286859406 8.75905 0.0 52439.04 0.0 0.0 52439.04 0.0 0.0 52439.04 0.0 -1 4214 537.1030973797673 8.770333 0.0 0.0 373186.72 0.0 0.0 373186.72 0.0 0.0 373186.72 23 4221 661.1340906840901 8.80155 74955.49 0.0 0.0 74955.49 0.0 0.0 74955.49 0.0 0.0 4 4221.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4237 339.0507976611167 8.847883 0.0 0.0 71757.61 0.0 0.0 71757.61 0.0 0.0 71757.61 -1 4239 539.2244843755054 8.847883 0.0 0.0 272957.38 0.0 0.0 272957.38 0.0 0.0 272957.38 -1 4244 549.2543745939425 8.889566 0.0 0.0 261279.67 0.0 0.0 261279.67 0.0 0.0 261279.67 41 4244.0 2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid 4260 587.1893011881049 8.979767 0.0 0.0 47433.723 0.0 0.0 47433.723 0.0 0.0 47433.723 -1 4269 487.0670208260712 8.983033 38854.668 0.0 0.0 38854.668 0.0 0.0 38854.668 0.0 0.0 -1 4280 551.2134530534543 9.067083 33131.895 0.0 0.0 33131.895 0.0 0.0 33131.895 0.0 0.0 -1 4291 587.1869428793788 9.139334 0.0 236962.33 0.0 0.0 236962.33 0.0 0.0 236962.33 0.0 -1 4293 667.1046860194383 9.145567 0.0 0.0 80406.59 0.0 0.0 80406.59 0.0 0.0 80406.59 1 4293.0 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 4296 591.1354378313945 9.15155 40797.88 0.0 0.0 40797.88 0.0 0.0 40797.88 0.0 0.0 1 4296.0 luteolin 4'-O-glucoside 4299 589.184763607837 9.177366 0.0 103654.16 0.0 0.0 103654.16 0.0 0.0 103654.16 0.0 -1 4300 551.2103103609362 9.177366 0.0 121131.14 0.0 0.0 121131.14 0.0 0.0 121131.14 0.0 -1 4313 350.12298947444884 9.216634 0.0 32902.7 0.0 0.0 32902.7 0.0 0.0 32902.7 0.0 -1 4319 593.1488063224418 9.24555 10705708.0 0.0 0.0 10705708.0 0.0 0.0 10705708.0 0.0 0.0 1 4319.0 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV 4337 609.1447118423112 9.343275 0.0 52687.23 5502382.0 0.0 52687.23 5502382.0 0.0 52687.23 5502382.0 -1 4339 395.13726010021264 9.3792 0.0 0.0 97851.31 0.0 0.0 97851.31 0.0 0.0 97851.31 -1 4339.0 Massbank:AU206001 Metolachlor-ESA|Metolachlor esa|2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid 4366 661.1364476380811 9.519 67645.586 0.0 0.0 67645.586 0.0 0.0 67645.586 0.0 0.0 4 4366.0 Ala-aMCA 4384 489.0808756021892 9.585167 0.0 150275.5 102418.72 0.0 150275.5 102418.72 0.0 150275.5 102418.72 8 4384.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 4396 487.0654901161592 9.614742 67137.4 101950.09 0.0 67137.4 101950.09 0.0 67137.4 101950.09 0.0 8 4406 339.0499860785471 9.627708 0.0 145093.52 159866.72 0.0 145093.52 159866.72 0.0 145093.52 159866.72 -1 4410 491.0964693709005 9.656708 73379.35 292711.38 0.0 73379.35 292711.38 0.0 73379.35 292711.38 0.0 8 4410.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 4411 537.1022230366549 9.660389 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 23 4412 635.0697461946498 9.6679 0.0 83085.695 0.0 0.0 83085.695 0.0 0.0 83085.695 0.0 -1 4439 661.1330699047221 9.72115 72627.68 0.0 0.0 72627.68 0.0 0.0 72627.68 0.0 0.0 1 4439.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4444 521.1997593504691 9.745383 0.0 384610.56 0.0 0.0 384610.56 0.0 0.0 384610.56 0.0 -1 4445 557.1772960587012 9.745383 0.0 776050.7 0.0 0.0 776050.7 0.0 0.0 776050.7 0.0 -1 4449 623.1963458393867 9.746384 0.0 0.0 364553.84 0.0 0.0 364553.84 0.0 0.0 364553.84 2 4449.0 Acteoside 4477 521.2002264943351 9.856617 116189.71 0.0 71080.01 116189.71 0.0 71080.01 116189.71 0.0 71080.01 -1 4477.0 alpha-D-glucose 4484 677.1280531093555 9.8677 0.0 0.0 107068.414 0.0 0.0 107068.414 0.0 0.0 107068.414 -1 4484.0 Massbank:PR307516 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside 4491 651.1061644859938 9.886617 91326.516 0.0 0.0 91326.516 0.0 0.0 91326.516 0.0 0.0 1 4491.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 4499 557.1764330236751 9.927667 142209.56 0.0 0.0 142209.56 0.0 0.0 142209.56 0.0 0.0 -1 4526 609.1433608323669 10.071466 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 1 4526.0 Massbank:FIO00586 Quercitrin 4531 181.0121562160156 10.132283 0.0 33000.332 0.0 0.0 33000.332 0.0 0.0 33000.332 0.0 39 4531.0 4-HYDROXYBENZOATE 4532 350.1226532127204 10.132283 0.0 34788.492 0.0 0.0 34788.492 0.0 0.0 34788.492 0.0 51 4532.0 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate 4536 607.1272124185367 10.150567 0.0 0.0 64175.805 0.0 0.0 64175.805 0.0 0.0 64175.805 1 4536.0 Rutin 4551 609.1435675253407 10.214566 0.0 80088.11 0.0 0.0 80088.11 0.0 0.0 80088.11 0.0 -1 4557 677.1268739556579 10.232683 0.0 0.0 144866.48 0.0 0.0 144866.48 0.0 0.0 144866.48 1 4557.0 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 4566 667.102711393009 10.2703 0.0 0.0 128537.33 0.0 0.0 128537.33 0.0 0.0 128537.33 1 4566.0 Massbank:PR307512 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside 4574 407.1819820209384 10.345966 50135.87 0.0 0.0 50135.87 0.0 0.0 50135.87 0.0 0.0 -1 4604 417.2100513738445 10.476367 47636.805 0.0 0.0 47636.805 0.0 0.0 47636.805 0.0 0.0 -1 4626 255.8208133748849 10.58875 0.0 26695.424 0.0 0.0 26695.424 0.0 0.0 26695.424 0.0 -1 4641 483.0681872328611 10.684317 228625.72 0.0 0.0 228625.72 0.0 0.0 228625.72 0.0 0.0 1 4641.0 Massbank:PR306882 Kaempferol-3-O-galactoside-6''-rhamnoside-3'''-rha 4643 510.0871050364746 10.684317 42537.375 0.0 0.0 42537.375 0.0 0.0 42537.375 0.0 0.0 -1 4643.0 Luteolin-7,3'-di-O-glucoside - 60eV 4644 515.0783569736238 10.684317 85313.43 0.0 0.0 85313.43 0.0 0.0 85313.43 0.0 0.0 1 4644.0 afzelin 4647 369.14514882428944 10.689016 0.0 72840.8 0.0 0.0 72840.8 0.0 0.0 72840.8 0.0 11 4647.0 Sternbin 4652 261.1330136959865 10.719358 0.0 38999.777 45322.84 0.0 38999.777 45322.84 0.0 38999.777 45322.84 -1 4658 896.1926255540367 10.72685 197013.31 0.0 0.0 197013.31 0.0 0.0 197013.31 0.0 0.0 5 4658.0 Luteolin-7,3'-di-O-glucoside - 20eV 4660 255.821265111655 10.736716 0.0 34142.1 0.0 0.0 34142.1 0.0 0.0 34142.1 0.0 55 4674 895.189569159968 10.80625 415647.25 0.0 0.0 415647.25 0.0 0.0 415647.25 0.0 0.0 5 4674.0 Luteolin-7,3'-di-O-glucoside - 20eV 4680 407.1786110799649 10.837733 0.0 0.0 42362.094 0.0 0.0 42362.094 0.0 0.0 42362.094 -1 4687 505.0511748713864 10.843984 83229.58 0.0 0.0 83229.58 0.0 0.0 83229.58 0.0 0.0 1 4687.0 Luteolin-7,3'-di-O-glucoside - 50eV 4690 369.1444306539172 10.826467 0.0 74566.1 0.0 0.0 74566.1 0.0 0.0 74566.1 0.0 11 4690.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one 4701 555.1629691354218 10.9188 0.0 0.0 137554.83 0.0 0.0 137554.83 0.0 0.0 137554.83 -1 4703 417.2105707777857 10.961866 72285.78 0.0 0.0 72285.78 0.0 0.0 72285.78 0.0 0.0 -1 4705 510.0869537421452 10.922267 42727.402 0.0 0.0 42727.402 0.0 0.0 42727.402 0.0 0.0 -1 4705.0 nicotiflorin 4710 255.82051580990543 10.923567 0.0 34815.9 0.0 0.0 34815.9 0.0 0.0 34815.9 0.0 6 4716 195.80925469926308 10.970233 0.0 36561.27 0.0 0.0 36561.27 0.0 0.0 36561.27 0.0 -1 4717 197.8063645284512 10.970233 0.0 44168.156 0.0 0.0 44168.156 0.0 0.0 44168.156 0.0 -1 4725 391.10293505937193 11.009983 0.0 0.0 81654.49 0.0 0.0 81654.49 0.0 0.0 81654.49 2 4725.0 ROSMARINIC ACID 4728 144.0443516420476 11.016434 0.0 97862.41 0.0 0.0 97862.41 0.0 0.0 97862.41 0.0 -1 4729 305.1051854485231 11.016434 0.0 36680.36 0.0 0.0 36680.36 0.0 0.0 36680.36 0.0 16 4729.0 ETHYL SULFATE 4735 407.1817511641921 11.048625 72172.1 0.0 53817.31 72172.1 0.0 53817.31 72172.1 0.0 53817.31 -1 4742 417.2087742790121 11.04595 70006.72 0.0 0.0 70006.72 0.0 0.0 70006.72 0.0 0.0 -1 4748 391.10282305768254 11.135616 0.0 0.0 75708.78 0.0 0.0 75708.78 0.0 0.0 75708.78 2 4748.0 rosmarinic acid 4757 144.0446043636481 11.135616 0.0 0.0 71123.81 0.0 0.0 71123.81 0.0 0.0 71123.81 -1 4770 347.1509479608018 11.220966 0.0 0.0 94261.28 0.0 0.0 94261.28 0.0 0.0 94261.28 59 4773 615.1551102435195 11.220966 0.0 0.0 83730.85 0.0 0.0 83730.85 0.0 0.0 83730.85 1 4777 809.2452487281954 11.250167 62258.297 0.0 0.0 62258.297 0.0 0.0 62258.297 0.0 0.0 48 4785 224.09127154423123 11.291083 57360.29 0.0 0.0 57360.29 0.0 0.0 57360.29 0.0 0.0 -1 4819 305.10532757108945 11.4819 0.0 35845.08 0.0 0.0 35845.08 0.0 0.0 35845.08 0.0 16 4824 809.2474120765353 11.513984 0.0 0.0 123054.84 0.0 0.0 123054.84 0.0 0.0 123054.84 48 4826 505.0497361204429 11.524917 109365.484 0.0 0.0 109365.484 0.0 0.0 109365.484 0.0 0.0 1 4826.0 Luteolin-7,3'-di-O-glucoside - 50eV 4827 510.0862125899871 11.524917 67816.914 0.0 0.0 67816.914 0.0 0.0 67816.914 0.0 0.0 5 4827.0 Luteolin-7,3'-di-O-glucoside - 20eV 4834 579.1774267008709 11.556983 0.0 0.0 68098.766 0.0 0.0 68098.766 0.0 0.0 68098.766 -1 4843 463.0874650559268 11.585899 0.0 67477.55 154073.03 0.0 67477.55 154073.03 0.0 67477.55 154073.03 1 4843.0 Massbank:PR309227 Flavonol base + 3O, O-Hex 4848 447.0903434624061 11.6044 4440406.0 0.0 0.0 4440406.0 0.0 0.0 4440406.0 0.0 0.0 1 4848.0 Massbank:PR305576 Luteolin-7-O-glucoside 4850 483.0674153641432 11.6044 354151.94 0.0 0.0 354151.94 0.0 0.0 354151.94 0.0 0.0 1 4850.0 Luteolin-7,3'-di-O-glucoside - 50eV 4853 515.0772292362906 11.6044 115020.63 0.0 0.0 115020.63 0.0 0.0 115020.63 0.0 0.0 1 4853.0 Luteolin-7,3'-di-O-glucoside - 50eV 4855 895.1878205531706 11.6044 1342659.9 0.0 0.0 1342659.9 0.0 0.0 1342659.9 0.0 0.0 5 4855.0 Luteolin-7,3'-di-O-glucoside - 20eV 4856 896.191338207239 11.6044 647845.3 0.0 0.0 647845.3 0.0 0.0 647845.3 0.0 0.0 5 4856.0 Luteolin-7,3'-di-O-glucoside - 40eV 4869 505.0495584944893 11.678683 112123.73 0.0 0.0 112123.73 0.0 0.0 112123.73 0.0 0.0 1 4869.0 Massbank:PR305600 Luteolin-7-O-glucoside 4890 144.04448137581463 11.749458 0.0 185427.05 143735.53 0.0 185427.05 143735.53 0.0 185427.05 143735.53 -1 4915 195.02907952455243 11.85875 0.0 35599.39 0.0 0.0 35599.39 0.0 0.0 35599.39 0.0 -1 4926 305.1051884911869 11.939317 0.0 43709.8 0.0 0.0 43709.8 0.0 0.0 43709.8 0.0 16 4948 369.1447787083269 12.0237665 0.0 201246.34 0.0 0.0 201246.34 0.0 0.0 201246.34 0.0 11 4948.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one 4950 463.0876120928695 12.0237665 0.0 107645.8 0.0 0.0 107645.8 0.0 0.0 107645.8 0.0 1 4950.0 NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one 4951 555.1632139502796 12.0237665 0.0 74892.25 0.0 0.0 74892.25 0.0 0.0 74892.25 0.0 -1 4952 160.03902595469427 12.0237665 0.0 50054.945 0.0 0.0 50054.945 0.0 0.0 50054.945 0.0 27 4952.0 4-QUINOLINECARBOXYLIC ACID 4965 369.14442964149794 12.1565 0.0 251780.0 98451.22 0.0 251780.0 98451.22 0.0 251780.0 98451.22 11 4965.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one 4971 391.1018221056387 12.196 39343.836 0.0 151623.44 39343.836 0.0 151623.44 39343.836 0.0 151623.44 2 4971.0 Massbank:PR305759 Rosmarinic acid 4980 463.08734329835374 12.2396755 0.0 161711.17 343610.97 0.0 161711.17 343610.97 0.0 161711.17 343610.97 1 4980.0 Massbank:PR306741 Quercetin-3-O-xyloside 4986 785.2477345091798 12.2406 0.0 0.0 89792.375 0.0 0.0 89792.375 0.0 0.0 89792.375 -1 4986.0 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 4994 347.1510137455229 12.321533 0.0 0.0 118654.67 0.0 0.0 118654.67 0.0 0.0 118654.67 59 4995 305.1049882278373 12.329 0.0 77829.734 0.0 0.0 77829.734 0.0 0.0 77829.734 0.0 16 4995.0 12-Hydroxyjasmonate sulfate 5006 455.1027725235817 12.4264 0.0 30437.154 0.0 0.0 30437.154 0.0 0.0 30437.154 0.0 -1 5014 353.150229882478 12.469717 0.0 118593.92 0.0 0.0 118593.92 0.0 0.0 118593.92 0.0 11 5014.0 Massbank:PR306071 Sakuranetin 5017 313.1165352916661 12.4963 70948.99 0.0 0.0 70948.99 0.0 0.0 70948.99 0.0 0.0 12 5019 389.1272756181787 12.510834 0.0 49149.3 0.0 0.0 49149.3 0.0 0.0 49149.3 0.0 -1 5019.0 Massbank:PR306967 2'-Hydroxyflavanone 5027 391.10269405709386 12.527583 0.0 0.0 129182.44 0.0 0.0 129182.44 0.0 0.0 129182.44 2 5027.0 rosmarinic acid 5031 799.1876730161651 12.553017 0.0 35140.72 0.0 0.0 35140.72 0.0 0.0 35140.72 0.0 -1 5039 579.1705875346875 12.6097 0.0 0.0 216543.88 0.0 0.0 216543.88 0.0 0.0 216543.88 1 5039.0 Massbank:PR306410 Naringenin-7-O-glucoside 5040 615.1473741078573 12.6097 0.0 0.0 241390.81 0.0 0.0 241390.81 0.0 0.0 241390.81 1 5040.0 Massbank:PR306410 Naringenin-7-O-glucoside 5051 521.1279085122769 12.6878 50983.227 0.0 0.0 50983.227 0.0 0.0 50983.227 0.0 0.0 -1 5051.0 ROSMARINIC ACID 5055 231.1223387367389 12.7383 26667.906 35374.496 0.0 26667.906 35374.496 0.0 26667.906 35374.496 0.0 -1 5056 493.14742162308863 12.778383 0.0 0.0 125566.62 0.0 0.0 125566.62 0.0 0.0 125566.62 -1 5068 745.3005053884788 12.79245 16632.74 0.0 0.0 16632.74 0.0 0.0 16632.74 0.0 0.0 -1 5075 755.2382150088442 12.8188 0.0 0.0 194283.03 0.0 0.0 194283.03 0.0 0.0 194283.03 2 5075.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5079 521.1300372005411 12.870583 57827.773 59362.15 135901.17 57827.773 59362.15 135901.17 57827.773 59362.15 135901.17 -1 5099 799.2637945701301 13.02965 0.0 0.0 65350.84 0.0 0.0 65350.84 0.0 0.0 65350.84 -1 5117 151.03897069356475 13.24105 0.0 0.0 146468.48 0.0 0.0 146468.48 0.0 0.0 146468.48 11 5117.0 4-HYDROXYBENZALDEHYDE 5119 615.2757534221198 13.197917 0.0 0.0 134160.39 0.0 0.0 134160.39 0.0 0.0 134160.39 -1 5137 733.1948111380625 13.28635 46737.133 0.0 0.0 46737.133 0.0 0.0 46737.133 0.0 0.0 -1 5138 763.2042314191028 13.28635 134289.0 0.0 0.0 134289.0 0.0 0.0 134289.0 0.0 0.0 -1 5141 187.09644877496004 13.322383 0.0 260738.19 0.0 0.0 260738.19 0.0 0.0 260738.19 0.0 -1 5145 313.1171166975939 13.33395 147701.1 0.0 0.0 147701.1 0.0 0.0 147701.1 0.0 0.0 12 5149 555.163806821713 13.367084 0.0 111400.54 0.0 0.0 111400.54 0.0 0.0 111400.54 0.0 -1 5154 383.16118287405294 13.406266 0.0 84434.76 0.0 0.0 84434.76 0.0 0.0 84434.76 0.0 -1 5158 405.1592597617168 13.40705 0.0 0.0 69090.24 0.0 0.0 69090.24 0.0 0.0 69090.24 -1 5163 733.1980349792087 13.445316 0.0 113975.91 0.0 0.0 113975.91 0.0 0.0 113975.91 0.0 -1 5168 287.1488034912687 13.4464 0.0 0.0 78204.125 0.0 0.0 78204.125 0.0 0.0 78204.125 -1 5182 187.09572475446444 13.499984 195413.19 0.0 0.0 195413.19 0.0 0.0 195413.19 0.0 0.0 -1 5186 623.1964297004776 13.5320835 0.0 0.0 410224.34 0.0 0.0 410224.34 0.0 0.0 410224.34 2 5186.0 [4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5191 763.2028453950617 13.539884 259130.6 0.0 0.0 259130.6 0.0 0.0 259130.6 0.0 0.0 -1 5199 527.1345112900133 13.568817 0.0 82996.12 0.0 0.0 82996.12 0.0 0.0 82996.12 0.0 -1 5217 764.2116812695274 13.650217 0.0 291174.7 0.0 0.0 291174.7 0.0 0.0 291174.7 0.0 -1 5218 831.1945946440238 13.650217 0.0 67379.23 0.0 0.0 67379.23 0.0 0.0 67379.23 0.0 -1 5220 769.2539253874838 13.622967 0.0 0.0 48445.117 0.0 0.0 48445.117 0.0 0.0 48445.117 -1 5226 763.2086813711807 13.650217 0.0 748404.25 0.0 0.0 748404.25 0.0 0.0 748404.25 0.0 -1 5238 799.184977632253 13.6932 0.0 212224.64 0.0 0.0 212224.64 0.0 0.0 212224.64 0.0 -1 5260 187.0963094886678 13.861495 338743.34 466167.66 235293.12 338743.34 466167.66 235293.12 338743.34 466167.66 235293.12 -1 5260.0 Massbank:RP015312 Suberic acid|Octanedioic acid 5266 799.2637795304372 13.86995 0.0 0.0 131077.56 0.0 0.0 131077.56 0.0 0.0 131077.56 -1 5286 691.1853513733922 14.014883 43208.074 0.0 0.0 43208.074 0.0 0.0 43208.074 0.0 0.0 -1 5288 521.1299632906804 14.0296 102149.46 57959.035 0.0 102149.46 57959.035 0.0 102149.46 57959.035 0.0 37 5288.0 Isorhamnetin-3-O-b-D-Glucoside 5289 193.04903729380885 14.037633 0.0 34042.246 0.0 0.0 34042.246 0.0 0.0 34042.246 0.0 -1 5313 521.1295670239804 14.1717 0.0 0.0 182529.69 0.0 0.0 182529.69 0.0 0.0 182529.69 37 5313.0 1,5-Dicaffeoylquinic acid 5316 585.2664259433675 14.1717 0.0 0.0 110724.33 0.0 0.0 110724.33 0.0 0.0 110724.33 -1 5327 595.2948096989343 14.2135 0.0 0.0 62185.727 0.0 0.0 62185.727 0.0 0.0 62185.727 -1 5328 361.1006400373482 14.2128 0.0 31915.078 0.0 0.0 31915.078 0.0 0.0 31915.078 0.0 -1 5328.0 Massbank:PR309377 trans-Caffeic acid 5335 405.15821285542665 14.255983 0.0 0.0 99528.0 0.0 0.0 99528.0 0.0 0.0 99528.0 -1 5340 835.2395787579052 14.255983 0.0 0.0 80327.93 0.0 0.0 80327.93 0.0 0.0 80327.93 -1 5346 347.0327768638324 14.309116 0.0 31839.328 0.0 0.0 31839.328 0.0 0.0 31839.328 0.0 -1 5349 799.2643362180626 14.2975 0.0 0.0 496106.62 0.0 0.0 496106.62 0.0 0.0 496106.62 14 5349.0 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5350 800.2673452929367 14.2975 0.0 0.0 207722.42 0.0 0.0 207722.42 0.0 0.0 207722.42 -1 5360 635.1102079534463 14.3394 46787.605 0.0 0.0 46787.605 0.0 0.0 46787.605 0.0 0.0 1 5360.0 baicalin 5363 311.05526830333224 14.342617 0.0 134297.53 53880.914 0.0 134297.53 53880.914 0.0 134297.53 53880.914 -1 5364 309.0405271809209 14.358583 0.0 32390.986 0.0 0.0 32390.986 0.0 0.0 32390.986 0.0 -1 5382 405.1571030649828 14.544967 0.0 0.0 119274.73 0.0 0.0 119274.73 0.0 0.0 119274.73 -1 5392 661.1386324723072 14.605575 0.0 30299.709 100057.84 0.0 30299.709 100057.84 0.0 30299.709 100057.84 -1 5397 593.1506577556037 14.629 0.0 629051.56 0.0 0.0 629051.56 0.0 0.0 629051.56 0.0 1 5397.0 Massbank:PR306636 Kaempferol-3-O-rutinoside 5418 193.04914738633232 14.7418 147949.27 164863.56 0.0 147949.27 164863.56 0.0 147949.27 164863.56 0.0 -1 5418.0 Vanillic acid 40eV 5420 137.02362861328737 14.757616 0.0 300727.94 59964.21 0.0 300727.94 59964.21 0.0 300727.94 59964.21 39 5420.0 1-Hydroxy-2-naphthoic acid 5447 193.0494736438729 14.87265 0.0 0.0 699221.5 0.0 0.0 699221.5 0.0 0.0 699221.5 2 5447.0 TAK-041 5450 769.2530003277922 14.87265 0.0 0.0 234810.73 0.0 0.0 234810.73 0.0 0.0 234810.73 14 5450.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5457 577.1521987618576 14.893817 1504402.2 0.0 0.0 1504402.2 0.0 0.0 1504402.2 0.0 0.0 1 5457.0 Massbank:PR306154 Eriodictyol-7-O-rutinoside 5458 613.1290567626033 14.893817 732162.8 0.0 0.0 732162.8 0.0 0.0 732162.8 0.0 0.0 1 5458.0 Apiin - 40eV 5460 635.1104493131245 14.893817 76888.14 0.0 0.0 76888.14 0.0 0.0 76888.14 0.0 0.0 1 5460.0 Ambocin 5462 645.1385461782595 14.893817 133481.36 0.0 0.0 133481.36 0.0 0.0 133481.36 0.0 0.0 1 5462.0 Apiin 5469 691.1852659461111 14.94025 0.0 73364.016 0.0 0.0 73364.016 0.0 0.0 73364.016 0.0 -1 5470 727.1627943736761 14.9007 0.0 47082.633 0.0 0.0 47082.633 0.0 0.0 47082.633 0.0 -1 5471 651.11030382844 14.94025 0.0 46589.62 0.0 0.0 46589.62 0.0 0.0 46589.62 0.0 -1 5471.0 Massbank:FIO00765 Afzelin 5473 733.1962366192244 14.94025 0.0 51074.117 0.0 0.0 51074.117 0.0 0.0 51074.117 0.0 -1 5494 661.1354254880587 14.995584 0.0 0.0 149468.47 0.0 0.0 149468.47 0.0 0.0 149468.47 4 5494.0 Massbank:PR305598 Kaempferol-3-O-robinoside-7-O-rhamnoside 5495 593.149145990914 15.007709 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 1 5495.0 Massbank:PR306636 Kaempferol-3-O-rutinoside 5502 453.2242156444131 15.075117 0.0 0.0 158599.39 0.0 0.0 158599.39 0.0 0.0 158599.39 -1 5513 463.2529935048033 15.075117 0.0 0.0 155029.23 0.0 0.0 155029.23 0.0 0.0 155029.23 -1 5514 651.1131697253658 15.075117 0.0 0.0 125502.96 0.0 0.0 125502.96 0.0 0.0 125502.96 1 5514.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 5535 309.0397280069511 15.227616 0.0 95925.48 0.0 0.0 95925.48 0.0 0.0 95925.48 0.0 24 5535.0 KS IV 5539 311.0552594055188 15.23605 0.0 332061.06 109975.8 0.0 332061.06 109975.8 0.0 332061.06 109975.8 24 5541 629.2391211108138 15.251133 75434.914 0.0 0.0 75434.914 0.0 0.0 75434.914 0.0 0.0 -1 5543 347.03223517589254 15.264983 0.0 75258.836 0.0 0.0 75258.836 0.0 0.0 75258.836 0.0 -1 5543.0 KS IV 5550 243.1215964280396 15.293067 98448.17 0.0 0.0 98448.17 0.0 0.0 98448.17 0.0 0.0 -1 5577 243.12268633007807 15.402567 0.0 61359.75 48153.37 0.0 61359.75 48153.37 0.0 61359.75 48153.37 -1 5586 193.0491771467249 15.422379 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 2 5586.0 Isofraxidin 5598 137.02368447353822 15.521611 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 40 5598.0 2,4-Dihydroxybenzoic acid - 40.0 eV 5618 639.1553137386283 15.707784 0.0 0.0 145259.02 0.0 0.0 145259.02 0.0 0.0 145259.02 1 5618.0 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 5622 675.1391884426622 15.752633 0.0 0.0 53788.613 0.0 0.0 53788.613 0.0 0.0 53788.613 1 5622.0 Kakkalide 5633 343.2114877815922 15.840584 0.0 146808.44 0.0 0.0 146808.44 0.0 0.0 146808.44 0.0 -1 5649 673.1837237631448 15.885567 0.0 0.0 95574.57 0.0 0.0 95574.57 0.0 0.0 95574.57 -1 5671 243.1218739718687 15.958324 110315.984 102917.22 0.0 110315.984 102917.22 0.0 110315.984 102917.22 0.0 -1 5680 583.2466173437159 16.00215 51740.85 0.0 0.0 51740.85 0.0 0.0 51740.85 0.0 0.0 -1 5715 337.03441907006953 16.120983 0.0 43627.363 0.0 0.0 43627.363 0.0 0.0 43627.363 0.0 -1 5742 358.068290172722 16.201567 0.0 0.0 67640.01 0.0 0.0 67640.01 0.0 0.0 67640.01 -1 5747 417.081911331325 16.201567 0.0 0.0 179928.89 0.0 0.0 179928.89 0.0 0.0 179928.89 -1 5759 713.1134547505791 16.241 0.0 0.0 107376.234 0.0 0.0 107376.234 0.0 0.0 107376.234 30 5781 343.2106383633688 16.285383 0.0 219999.52 0.0 0.0 219999.52 0.0 0.0 219999.52 0.0 -1 5783 358.0690819636292 16.280634 0.0 0.0 72893.03 0.0 0.0 72893.03 0.0 0.0 72893.03 -1 5804 613.1277733347985 16.2884 282371.38 0.0 0.0 282371.38 0.0 0.0 282371.38 0.0 0.0 1 5804.0 Apiin - 50eV 5819 577.1520004864068 16.3298 635906.6 0.0 0.0 635906.6 0.0 0.0 635906.6 0.0 0.0 1 5819.0 Massbank:PR306341 Pelargonidin-3-O-glucoside 5833 717.1421241974024 16.370083 0.0 0.0 3002348.0 0.0 0.0 3002348.0 0.0 0.0 3002348.0 30 5857 607.160884726321 16.4118 6416617.0 0.0 0.0 6416617.0 0.0 0.0 6416617.0 0.0 0.0 1 5857.0 Massbank:PR306260 Diosmetin-7-O-rutinoside 5874 675.1480982882313 16.451883 116155.99 0.0 0.0 116155.99 0.0 0.0 116155.99 0.0 0.0 1 5874.0 Diosmin - 40eV 5904 447.09171642989975 16.504108 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 1 5904.0 Massbank:PR307138 Kaempferol 3-O-sophoroside 5959 509.2930062745298 16.645634 68254.46 0.0 0.0 68254.46 0.0 0.0 68254.46 0.0 0.0 -1 5994 895.1698052800642 16.766317 0.0 0.0 111441.17 0.0 0.0 111441.17 0.0 0.0 111441.17 49 6016 431.0968793307951 16.8092 440427.62 0.0 98798.86 440427.62 0.0 98798.86 440427.62 0.0 98798.86 1 6016.0 Apigenin-7-O-glucoside (Apigetrin) - 40eV 6022 537.1020538325597 16.815716 0.0 349458.1 386282.1 0.0 349458.1 386282.1 0.0 349458.1 386282.1 -1 6022.0 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid 6058 431.0968546427189 16.938917 0.0 442991.53 0.0 0.0 442991.53 0.0 0.0 442991.53 0.0 1 6058.0 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one 6059 467.0730366454667 16.938917 0.0 317891.44 0.0 0.0 317891.44 0.0 0.0 317891.44 0.0 1 6067 895.1688938426263 16.965567 0.0 0.0 128478.52 0.0 0.0 128478.52 0.0 0.0 128478.52 49 6086 728.1307171957458 16.965567 0.0 0.0 87085.73 0.0 0.0 87085.73 0.0 0.0 87085.73 -1 6095 353.147962979842 17.029118 61761.09 0.0 0.0 61761.09 0.0 0.0 61761.09 0.0 0.0 -1 6095.0 2-(4-HYDROXYPHENYL)PROPIONIC ACID 6106 715.1248556563322 17.050917 0.0 0.0 498993.66 0.0 0.0 498993.66 0.0 0.0 498993.66 -1 6141 671.1369244378888 17.12455 0.0 413825.06 0.0 0.0 413825.06 0.0 0.0 413825.06 0.0 -1 6144 718.1458697800665 17.12455 0.0 1912095.5 0.0 0.0 1912095.5 0.0 0.0 1912095.5 0.0 -1 6165 717.141456846018 17.12455 0.0 4775379.0 0.0 0.0 4775379.0 0.0 0.0 4775379.0 0.0 30 6214 671.1363750700683 17.273235 101543.164 0.0 0.0 101543.164 0.0 0.0 101543.164 0.0 0.0 -1 6245 709.0794717532617 17.314201 37474.887 0.0 0.0 37474.887 0.0 0.0 37474.887 0.0 0.0 -1 6270 343.2103958220898 17.362316 201759.06 0.0 0.0 201759.06 0.0 0.0 201759.06 0.0 0.0 -1 6273 643.138644355023 17.362316 160490.83 0.0 0.0 160490.83 0.0 0.0 160490.83 0.0 0.0 1 6273.0 Diosmin - 40eV 6286 303.089652614102 17.3981 0.0 85003.24 0.0 0.0 85003.24 0.0 0.0 85003.24 0.0 -1 6313 467.0722022732275 17.471317 0.0 518058.9 0.0 0.0 518058.9 0.0 0.0 518058.9 0.0 1 6313.0 Massbank:TY000187 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one 6328 431.0960135032694 17.50865 0.0 797185.7 0.0 0.0 797185.7 0.0 0.0 797185.7 0.0 1 6328.0 Massbank:PR306046 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one 6374 447.0909546684304 17.61965 0.0 784407.8 0.0 0.0 784407.8 0.0 0.0 784407.8 0.0 1 6374.0 Massbank:PR305718 Luteolin-4'-O-glucoside 6385 395.0503337600125 17.648767 0.0 0.0 599247.06 0.0 0.0 599247.06 0.0 0.0 599247.06 2 6385.0 Massbank:PR305759 Rosmarinic acid 6391 343.2102326964592 17.682016 215583.64 0.0 0.0 215583.64 0.0 0.0 215583.64 0.0 0.0 -1 6392 597.2635660231704 17.682016 114833.41 0.0 0.0 114833.41 0.0 0.0 114833.41 0.0 0.0 -1 6407 607.1614870461902 17.72015 314748.06 0.0 0.0 314748.06 0.0 0.0 314748.06 0.0 0.0 1 6407.0 Massbank:FIO01058 Diosmin 6409 643.1385027529027 17.72015 225955.48 0.0 0.0 225955.48 0.0 0.0 225955.48 0.0 0.0 1 6409.0 Massbank:PR306337 Diosmetin-7-O-neohesperidoside 6445 313.0677173754784 17.801916 0.0 0.0 152435.16 0.0 0.0 152435.16 0.0 0.0 152435.16 2 6445.0 Massbank:PR305753 Rosmarinic acid 6460 395.0524523084193 17.85705 0.0 500005.84 0.0 0.0 500005.84 0.0 0.0 500005.84 0.0 2 6460.0 rosmarinic acid 6469 343.2097678232323 17.877533 171080.61 0.0 0.0 171080.61 0.0 0.0 171080.61 0.0 0.0 -1 6475 179.0334492926242 17.878584 0.0 0.0 91059.09 0.0 0.0 91059.09 0.0 0.0 91059.09 11 6475.0 PYROCATECHUIC ACID 6476 313.07001655211064 17.898592 148820.7 0.0 149501.03 148820.7 0.0 149501.03 148820.7 0.0 149501.03 2 6476.0 Massbank:PR305739 Rosmarinic acid 6487 161.02310652698156 17.926842 0.0 169672.31 380919.72 0.0 169672.31 380919.72 0.0 169672.31 380919.72 -1 6487.0 Trans ferulic acid 6490 197.0436183972724 17.946384 0.0 72951.53 171885.17 0.0 72951.53 171885.17 0.0 72951.53 171885.17 -1 6497 359.0742561721334 17.952017 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 2 6497.0 rosmarinic acid 6512 381.0579312708574 18.012266 0.0 70437.92 0.0 0.0 70437.92 0.0 0.0 70437.92 0.0 -1 6512.0 (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid 6524 719.1579596417895 18.012266 0.0 614589.4 0.0 0.0 614589.4 0.0 0.0 614589.4 0.0 2 6524.0 ROSMARINIC ACID 6525 179.0338337830393 18.012266 0.0 61212.6 0.0 0.0 61212.6 0.0 0.0 61212.6 0.0 11 6525.0 Caffeic Acid 6530 395.05094714449496 18.013033 330464.72 0.0 561831.7 330464.72 0.0 561831.7 330464.72 0.0 561831.7 2 6530.0 rosmarinic acid 6538 383.1600984802265 18.051584 0.0 92402.38 0.0 0.0 92402.38 0.0 0.0 92402.38 0.0 -1 6539 161.0228899267294 18.039534 84617.82 0.0 0.0 84617.82 0.0 0.0 84617.82 0.0 0.0 -1 6560 313.070631330098 18.051584 0.0 157440.17 0.0 0.0 157440.17 0.0 0.0 157440.17 0.0 2 6560.0 Massbank:PR305753 Rosmarinic acid 6612 497.0812282515436 18.236732 67664.67 0.0 0.0 67664.67 0.0 0.0 67664.67 0.0 0.0 1 6612.0 Massbank:FIO01056 Diosmin 6644 313.0697216811665 18.362467 143141.16 0.0 0.0 143141.16 0.0 0.0 143141.16 0.0 0.0 2 6644.0 Massbank:PR305753 Rosmarinic acid 6668 357.0589914128022 18.44195 74808.34 0.0 0.0 74808.34 0.0 0.0 74808.34 0.0 0.0 2 6668.0 rosmarinic acid 6669 417.0317748316179 18.44195 60768.86 0.0 0.0 60768.86 0.0 0.0 60768.86 0.0 0.0 11 6669.0 NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 6691 395.05405255780215 18.494099 0.0 603485.1 514404.56 0.0 603485.1 514404.56 0.0 603485.1 514404.56 2 6691.0 rosmarinic acid 6693 741.1475890587801 18.497932 0.0 0.0 1114183.2 0.0 0.0 1114183.2 0.0 0.0 1114183.2 18 6693.0 ROSMARINIC_ACID 6730 395.0502252203929 18.603916 548944.2 0.0 0.0 548944.2 0.0 0.0 548944.2 0.0 0.0 2 6730.0 rosmarinic acid 6739 717.149105992039 18.606167 0.0 0.0 2590000.5 0.0 0.0 2590000.5 0.0 0.0 2590000.5 2 6739.0 Massbank:PR308806 Rosmarinic acid 6741 357.058536750351 18.642384 97925.35 0.0 0.0 97925.35 0.0 0.0 97925.35 0.0 0.0 2 6741.0 rosmarinic acid 6749 719.1650672163848 18.642317 0.0 0.0 5197348.0 0.0 0.0 5197348.0 0.0 0.0 5197348.0 2 6749.0 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid 6750 720.1689396589771 18.642317 0.0 0.0 2044561.0 0.0 0.0 2044561.0 0.0 0.0 2044561.0 2 6750.0 Massbank:PR305753 Rosmarinic acid 6767 197.0447058467009 18.659409 0.0 117027.57 279693.9 0.0 117027.57 279693.9 0.0 117027.57 279693.9 -1 6768 359.0753237995079 18.653734 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 2 6768.0 rosmarinic acid 6783 313.0687445972345 18.68005 168532.56 0.0 0.0 168532.56 0.0 0.0 168532.56 0.0 0.0 2 6783.0 Plantamajoside 6785 161.0234184268784 18.678804 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 2 6785.0 7,3',4'-Trihydroxyflavone 6833 395.05173119130814 18.7907 0.0 613433.4 0.0 0.0 613433.4 0.0 0.0 613433.4 0.0 2 6833.0 Massbank:PR305746 Rosmarinic acid 6870 359.0766342585108 18.895233 0.0 0.0 7956615.0 0.0 0.0 7956615.0 0.0 0.0 7956615.0 2 6870.0 rosmarinic acid 6873 719.1636999951434 18.895233 0.0 0.0 1962149.1 0.0 0.0 1962149.1 0.0 0.0 1962149.1 2 6873.0 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid 6888 395.0533664082336 18.968884 0.0 0.0 642268.9 0.0 0.0 642268.9 0.0 0.0 642268.9 2 6888.0 Rosmarinic acid 6894 741.1391870336815 18.968884 0.0 0.0 831144.6 0.0 0.0 831144.6 0.0 0.0 831144.6 2 6894.0 ROSMARINIC_ACID 6895 742.1421425162557 18.968884 0.0 0.0 343728.75 0.0 0.0 343728.75 0.0 0.0 343728.75 2 6897 343.2108114359547 18.986166 0.0 109014.02 0.0 0.0 109014.02 0.0 0.0 109014.02 0.0 -1 6911 381.0586902489547 19.045784 0.0 0.0 67304.93 0.0 0.0 67304.93 0.0 0.0 67304.93 18 6911.0 Neochlorogenic acid 6922 733.1933710335162 19.101683 0.0 301404.8 0.0 0.0 301404.8 0.0 0.0 301404.8 0.0 -1 6923 769.1703571396301 19.101683 0.0 258923.4 0.0 0.0 258923.4 0.0 0.0 258923.4 0.0 -1 6936 263.1265239041477 19.086033 68721.805 0.0 0.0 68721.805 0.0 0.0 68721.805 0.0 0.0 -1 6938 417.0353968221287 19.1312 0.0 0.0 63389.27 0.0 0.0 63389.27 0.0 0.0 63389.27 11 6938.0 Caffeic acid phenethyl ester 6957 599.1883318445449 19.187767 0.0 50303.336 0.0 0.0 50303.336 0.0 0.0 50303.336 0.0 -1 7015 493.22767740228807 19.414083 0.0 0.0 91269.7 0.0 0.0 91269.7 0.0 0.0 91269.7 -1 7019 583.2465557662506 19.442217 48897.61 0.0 0.0 48897.61 0.0 0.0 48897.61 0.0 0.0 -1 7022 483.1994234198775 19.455833 0.0 0.0 94763.03 0.0 0.0 94763.03 0.0 0.0 94763.03 -1 7030 547.2704677017712 19.492216 31639.357 0.0 0.0 31639.357 0.0 0.0 31639.357 0.0 0.0 -1 7045 607.2020555835472 19.539316 0.0 0.0 95666.05 0.0 0.0 95666.05 0.0 0.0 95666.05 -1 7059 597.1734953079364 19.580517 0.0 0.0 108923.97 0.0 0.0 108923.97 0.0 0.0 108923.97 -1 7075 503.0963116039277 19.625967 137873.3 93614.71 0.0 137873.3 93614.71 0.0 137873.3 93614.71 0.0 -1 7095 199.09586962823667 19.708267 0.0 30691.293 0.0 0.0 30691.293 0.0 0.0 30691.293 0.0 -1 7108 599.1830742056634 19.78545 0.0 0.0 126156.484 0.0 0.0 126156.484 0.0 0.0 126156.484 -1 7123 609.2158505373804 19.827267 0.0 0.0 80270.96 0.0 0.0 80270.96 0.0 0.0 80270.96 -1 7127 527.2532679627636 19.8537 60911.395 0.0 0.0 60911.395 0.0 0.0 60911.395 0.0 0.0 -1 7128 569.175477999126 19.8537 50612.527 0.0 0.0 50612.527 0.0 0.0 50612.527 0.0 0.0 -1 7134 365.0790419250887 19.893217 0.0 30338.64 0.0 0.0 30338.64 0.0 0.0 30338.64 0.0 -1 7157 983.2808665065562 20.030134 0.0 0.0 177959.81 0.0 0.0 177959.81 0.0 0.0 177959.81 57 7177 651.1564095058027 20.076134 0.0 0.0 1275341.4 0.0 0.0 1275341.4 0.0 0.0 1275341.4 1 7177.0 Massbank:FIO00178 Kaempferol-7-neohesperidoside 7179 709.117848437263 20.076134 0.0 0.0 41518.625 0.0 0.0 41518.625 0.0 0.0 41518.625 -1 7191 607.2030999277218 20.1174 0.0 0.0 249418.73 0.0 0.0 249418.73 0.0 0.0 249418.73 -1 7192 652.159680703141 20.1174 0.0 0.0 426123.62 0.0 0.0 426123.62 0.0 0.0 426123.62 1 7192.0 Massbank:FIO00178 Kaempferol-7-neohesperidoside 7196 463.0885611599512 20.136683 0.0 48382.77 0.0 0.0 48382.77 0.0 0.0 48382.77 0.0 1 7196.0 Spectral Match to Cyanidin 3-galactoside cation from NIST14 7199 597.1747742564713 20.155567 0.0 0.0 264508.3 0.0 0.0 264508.3 0.0 0.0 264508.3 -1 7216 347.24173892264434 20.259216 54605.65 0.0 0.0 54605.65 0.0 0.0 54605.65 0.0 0.0 -1 7225 731.1600396743183 20.268116 0.0 0.0 62202.965 0.0 0.0 62202.965 0.0 0.0 62202.965 -1 7230 397.1132165068205 20.272 0.0 41146.22 0.0 0.0 41146.22 0.0 0.0 41146.22 0.0 -1 7230.0 gentisic acid 5-O-beta-glucoside 7253 569.1757989123269 20.309483 105194.73 0.0 0.0 105194.73 0.0 0.0 105194.73 0.0 0.0 -1 7267 397.1122689512204 20.3594 0.0 41406.406 0.0 0.0 41406.406 0.0 0.0 41406.406 0.0 11 7267.0 gentisic acid 5-O-beta-glucoside 7287 311.0908309312591 20.4471 0.0 46698.97 0.0 0.0 46698.97 0.0 0.0 46698.97 0.0 -1 7292 879.1983942429124 20.463882 0.0 0.0 100486.78 0.0 0.0 100486.78 0.0 0.0 100486.78 -1 7303 365.07799051044987 20.4885 0.0 74562.93 0.0 0.0 74562.93 0.0 0.0 74562.93 0.0 -1 7305 983.2819140174267 20.503584 0.0 0.0 523765.38 0.0 0.0 523765.38 0.0 0.0 523765.38 57 7317 537.2830476626128 20.583767 0.0 0.0 128693.63 0.0 0.0 128693.63 0.0 0.0 128693.63 -1 7337 609.2143164767017 20.651184 47233.785 0.0 0.0 47233.785 0.0 0.0 47233.785 0.0 0.0 -1 7363 535.14311702769 20.811266 37279.97 0.0 0.0 37279.97 0.0 0.0 37279.97 0.0 0.0 -1 7363.0 3,5-Di-caffeoylquinic acid 7375 343.0826323225848 20.8666 0.0 0.0 102987.74 0.0 0.0 102987.74 0.0 0.0 102987.74 -1 7377 397.1119853800615 20.878483 0.0 81013.41 0.0 0.0 81013.41 0.0 0.0 81013.41 0.0 11 7377.0 gentisic acid 5-O-beta-glucoside 7379 731.1597079471553 20.872541 0.0 204563.12 152142.8 0.0 204563.12 152142.8 0.0 204563.12 152142.8 30 7389 559.3172872985081 20.907867 45414.05 0.0 0.0 45414.05 0.0 0.0 45414.05 0.0 0.0 -1 7400 557.3024795530298 20.958633 30925.42 0.0 0.0 30925.42 0.0 0.0 30925.42 0.0 0.0 -1 7408 681.1680485361367 20.984766 0.0 0.0 390783.38 0.0 0.0 390783.38 0.0 0.0 390783.38 1 7408.0 Episyringaresinol 4'-O-beta-D-glncopyranoside 7411 489.10002684988297 21.005434 0.0 142282.02 0.0 0.0 142282.02 0.0 0.0 142282.02 0.0 -1 7411.0 77307-50-7 7423 345.2245392055426 21.05325 54533.594 0.0 0.0 54533.594 0.0 0.0 54533.594 0.0 0.0 -1 7443 513.2069907907679 21.09645 49368.07 0.0 0.0 49368.07 0.0 0.0 49368.07 0.0 0.0 -1 7445 525.2424738390457 21.09645 39131.43 0.0 0.0 39131.43 0.0 0.0 39131.43 0.0 0.0 -1 7457 493.1139459089703 21.1379 0.0 0.0 1604559.2 0.0 0.0 1604559.2 0.0 0.0 1604559.2 13 7457.0 Lithospermic acid 7465 477.2297908025994 21.139116 31192.1 0.0 0.0 31192.1 0.0 0.0 31192.1 0.0 0.0 -1 7472 535.090166497946 21.177784 0.0 0.0 112759.55 0.0 0.0 112759.55 0.0 0.0 112759.55 -1 7472.0 Lithospermic acid 7473 559.0861728859848 21.177784 0.0 0.0 183703.45 0.0 0.0 183703.45 0.0 0.0 183703.45 -1 7502 719.1602929541771 21.254583 0.0 0.0 546192.06 0.0 0.0 546192.06 0.0 0.0 546192.06 -1 7520 559.0821792826275 21.412167 0.0 71160.875 0.0 0.0 71160.875 0.0 0.0 71160.875 0.0 -1 7526 483.20021726619945 21.464733 0.0 0.0 74286.95 0.0 0.0 74286.95 0.0 0.0 74286.95 -1 7542 717.1474126008013 21.549366 0.0 0.0 684441.0 0.0 0.0 684441.0 0.0 0.0 684441.0 -1 7554 295.0611145020093 21.666916 0.0 0.0 47419.67 0.0 0.0 47419.67 0.0 0.0 47419.67 -1 7561 491.0994889719933 21.704967 0.0 0.0 273758.78 0.0 0.0 273758.78 0.0 0.0 273758.78 13 7561.0 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid 7570 447.1100188038369 21.704967 0.0 0.0 50113.434 0.0 0.0 50113.434 0.0 0.0 50113.434 -1 7571 493.1122957211195 21.713818 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 13 7571.0 Salvianolic acid A 7580 535.0871552537515 21.735691 0.0 54843.016 282426.4 0.0 54843.016 282426.4 0.0 54843.016 282426.4 -1 7588 559.0842449881684 21.769491 0.0 130091.66 320836.4 0.0 130091.66 320836.4 0.0 130091.66 320836.4 -1 7615 397.1137373710149 21.949383 0.0 32427.988 0.0 0.0 32427.988 0.0 0.0 32427.988 0.0 11 7615.0 gentisic acid 5-O-beta-glucoside 7621 653.1502991386352 21.993067 0.0 106686.16 48846.72 0.0 106686.16 48846.72 0.0 106686.16 48846.72 8 7621.0 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one 7622 713.1705551718138 21.99185 0.0 0.0 57499.477 0.0 0.0 57499.477 0.0 0.0 57499.477 -1 7637 345.22560518846973 22.115734 49010.094 0.0 0.0 49010.094 0.0 0.0 49010.094 0.0 0.0 -1 7639 597.2675549300635 22.130667 0.0 0.0 39603.445 0.0 0.0 39603.445 0.0 0.0 39603.445 -1 7641 489.0990345996663 22.1416 0.0 63398.54 0.0 0.0 63398.54 0.0 0.0 63398.54 0.0 -1 7642 201.1116283347032 22.168383 75013.39 0.0 0.0 75013.39 0.0 0.0 75013.39 0.0 0.0 -1 7650 201.1119154205468 22.234034 0.0 69134.31 37855.44 0.0 69134.31 37855.44 0.0 69134.31 37855.44 -1 7665 401.14024965466274 22.458967 22576.465 0.0 0.0 22576.465 0.0 0.0 22576.465 0.0 0.0 -1 7667 557.3043089399977 22.458967 33954.242 0.0 0.0 33954.242 0.0 0.0 33954.242 0.0 0.0 -1 7670 437.1507699413265 22.508133 0.0 0.0 37163.77 0.0 0.0 37163.77 0.0 0.0 37163.77 -1 7677 653.1507528613707 22.554726 65439.844 0.0 100830.234 65439.844 0.0 100830.234 65439.844 0.0 100830.234 8 7677.0 NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 7680 437.1506460109656 22.59355 0.0 0.0 41140.29 0.0 0.0 41140.29 0.0 0.0 41140.29 -1 7683 329.0662591731119 22.614758 0.0 37773.695 41384.11 0.0 37773.695 41384.11 0.0 37773.695 41384.11 -1 7691 401.1394943462384 22.725317 32842.812 0.0 0.0 32842.812 0.0 0.0 32842.812 0.0 0.0 -1 7694 537.2828305617861 22.728617 0.0 0.0 81862.7 0.0 0.0 81862.7 0.0 0.0 81862.7 -1 7701 743.1515054502514 22.776016 0.0 0.0 44306.652 0.0 0.0 44306.652 0.0 0.0 44306.652 -1 7701.0 Massbank:PR306387 Quercetin-3-O-rutinoside 7702 469.1746712515143 22.823467 0.0 0.0 77268.45 0.0 0.0 77268.45 0.0 0.0 77268.45 -1 7706 629.2230494222753 22.83895 0.0 19608.928 0.0 0.0 19608.928 0.0 0.0 19608.928 0.0 -1 7709 667.1900335649389 22.8705 0.0 0.0 38541.08 0.0 0.0 38541.08 0.0 0.0 38541.08 -1 7712 557.3035971700094 22.971666 28585.723 0.0 0.0 28585.723 0.0 0.0 28585.723 0.0 0.0 -1 7718 623.1634927425339 22.961134 0.0 0.0 280827.12 0.0 0.0 280827.12 0.0 0.0 280827.12 1 7718.0 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one 7726 487.122615704952 23.004683 0.0 21166.824 0.0 0.0 21166.824 0.0 0.0 21166.824 0.0 -1 7740 599.1887832225855 23.070316 33769.18 0.0 0.0 33769.18 0.0 0.0 33769.18 0.0 0.0 -1 7743 493.22934440279175 23.096518 0.0 0.0 60570.07 0.0 0.0 60570.07 0.0 0.0 60570.07 -1 7746 909.1904867980412 23.096518 0.0 0.0 43538.13 0.0 0.0 43538.13 0.0 0.0 43538.13 -1 7751 483.2013754304924 23.1391 0.0 0.0 73135.234 0.0 0.0 73135.234 0.0 0.0 73135.234 -1 7757 590.1274204512899 23.241533 0.0 24076.51 0.0 0.0 24076.51 0.0 0.0 24076.51 0.0 -1 7759 415.1065574919462 23.281067 0.0 0.0 33966.72 0.0 0.0 33966.72 0.0 0.0 33966.72 -1 7759.0 Isochlorogenic acid A 7760 459.1822875610776 23.281067 0.0 0.0 37454.844 0.0 0.0 37454.844 0.0 0.0 37454.844 -1 7761 489.15645453815466 23.281067 0.0 0.0 30529.3 0.0 0.0 30529.3 0.0 0.0 30529.3 -1 7765 971.3483614722862 23.367634 23775.049 0.0 0.0 23775.049 0.0 0.0 23775.049 0.0 0.0 -1 7768 177.05659670459588 23.427967 0.0 0.0 80917.35 0.0 0.0 80917.35 0.0 0.0 80917.35 2 7768.0 methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate 7771 667.1913445843721 23.427967 0.0 0.0 35586.57 0.0 0.0 35586.57 0.0 0.0 35586.57 -1 7776 971.3489361073496 23.465616 22331.12 0.0 0.0 22331.12 0.0 0.0 22331.12 0.0 0.0 -1 7788 705.3778576143902 23.565584 109438.734 0.0 0.0 109438.734 0.0 0.0 109438.734 0.0 0.0 -1 7794 735.169499642732 23.575333 0.0 0.0 36913.953 0.0 0.0 36913.953 0.0 0.0 36913.953 -1 7795 669.4024195594053 23.6127 67571.48 0.0 0.0 67571.48 0.0 0.0 67571.48 0.0 0.0 -1 7795.0 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol 7798 533.248544689274 23.67625 0.0 18206.418 0.0 0.0 18206.418 0.0 0.0 18206.418 0.0 -1 7814 583.2173786105435 23.798084 40866.04 0.0 0.0 40866.04 0.0 0.0 40866.04 0.0 0.0 -1 7814.0 Massbank:AU259905 Isoxaben|2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide 7821 585.2330867892454 23.84325 42610.727 0.0 0.0 42610.727 0.0 0.0 42610.727 0.0 0.0 -1 7823 326.104223097362 23.912733 0.0 0.0 26572.117 0.0 0.0 26572.117 0.0 0.0 26572.117 -1 7823.0 CAFFEATE 7824 343.0817185527588 23.878849 0.0 69120.55 216888.08 0.0 69120.55 216888.08 0.0 69120.55 216888.08 2 7824.0 Massbank:PR305705 Rosmarinic acid 7832 621.2067595778104 23.946083 0.0 24356.49 0.0 0.0 24356.49 0.0 0.0 24356.49 0.0 -1 7834 307.07180669167224 23.9795 53239.867 0.0 0.0 53239.867 0.0 0.0 53239.867 0.0 0.0 -1 7834.0 Massbank:PR301263 Ellipticine 7837 343.0837772963572 24.011 0.0 0.0 208638.25 0.0 0.0 208638.25 0.0 0.0 208638.25 2 7837.0 Massbank:PR305746 Rosmarinic acid 7838 515.2942864681418 24.042616 0.0 28117.424 0.0 0.0 28117.424 0.0 0.0 28117.424 0.0 -1 7842 537.2830284524656 24.103466 0.0 0.0 40477.934 0.0 0.0 40477.934 0.0 0.0 40477.934 -1 7843 421.2000356133521 24.122433 38502.785 0.0 0.0 38502.785 0.0 0.0 38502.785 0.0 0.0 -1 7844 431.22703574416346 24.122433 36628.902 0.0 0.0 36628.902 0.0 0.0 36628.902 0.0 0.0 -1 7860 343.0805154851769 24.273867 113045.336 0.0 0.0 113045.336 0.0 0.0 113045.336 0.0 0.0 -1 7869 591.1615126613119 24.34975 0.0 25616.14 0.0 0.0 25616.14 0.0 0.0 25616.14 0.0 -1 7878 351.1579278644204 24.473316 0.0 0.0 52814.965 0.0 0.0 52814.965 0.0 0.0 52814.965 -1 7882 569.179814443787 24.479967 40010.69 0.0 0.0 40010.69 0.0 0.0 40010.69 0.0 0.0 -1 7887 361.1861052705662 24.51425 0.0 0.0 40411.645 0.0 0.0 40411.645 0.0 0.0 40411.645 -1 7891 555.1871627035608 24.549467 0.0 20355.223 0.0 0.0 20355.223 0.0 0.0 20355.223 0.0 -1 7895 655.3477427920627 24.567966 16836.564 0.0 0.0 16836.564 0.0 0.0 16836.564 0.0 0.0 -1 7901 466.1726170432891 24.616417 14731.006 0.0 0.0 14731.006 0.0 0.0 14731.006 0.0 0.0 -1 7902 343.0816925793402 24.618668 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 2 7902.0 rosmarinic acid 7906 731.1607502890931 24.67395 40083.89 0.0 0.0 40083.89 0.0 0.0 40083.89 0.0 0.0 -1 7941 983.2799471365922 24.945383 34304.547 0.0 0.0 34304.547 0.0 0.0 34304.547 0.0 0.0 -1 7947 737.1117452738296 24.957117 0.0 0.0 89156.38 0.0 0.0 89156.38 0.0 0.0 89156.38 44 7958 715.1305591609743 25.039883 0.0 0.0 364405.25 0.0 0.0 364405.25 0.0 0.0 364405.25 44 7958.0 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 7966 466.1717804444048 25.15635 30139.438 0.0 0.0 30139.438 0.0 0.0 30139.438 0.0 0.0 -1 7973 559.2933779178524 25.15635 15763.086 0.0 0.0 15763.086 0.0 0.0 15763.086 0.0 0.0 -1 7976 419.0537354533327 25.161516 0.0 0.0 61517.906 0.0 0.0 61517.906 0.0 0.0 61517.906 -1 7985 383.077309707895 25.206259 0.0 22763.04 97072.484 0.0 22763.04 97072.484 0.0 22763.04 97072.484 8 7985.0 caftaric acid 7987 357.0623296474349 25.208534 0.0 20747.256 0.0 0.0 20747.256 0.0 0.0 20747.256 0.0 -1 7988 409.0702623402639 25.208534 0.0 23715.402 0.0 0.0 23715.402 0.0 0.0 23715.402 0.0 28 7997 199.1326908434207 25.273867 15114.163 0.0 0.0 15114.163 0.0 0.0 15114.163 0.0 0.0 -1 7999 548.0930880763578 25.290533 0.0 0.0 71232.84 0.0 0.0 71232.84 0.0 0.0 71232.84 -1 8001 489.1035541401805 25.3169 0.0 19972.47 0.0 0.0 19972.47 0.0 0.0 19972.47 0.0 -1 8002 555.1870404396286 25.3169 0.0 45144.332 0.0 0.0 45144.332 0.0 0.0 45144.332 0.0 -1 8005 409.0686877902056 25.33545 0.0 0.0 51257.15 0.0 0.0 51257.15 0.0 0.0 51257.15 28 8020 829.4406808149491 25.392616 19095.463 0.0 0.0 19095.463 0.0 0.0 19095.463 0.0 0.0 -1 8022 591.1633234712398 25.41375 0.0 62963.87 0.0 0.0 62963.87 0.0 0.0 62963.87 0.0 -1 8030 433.15645849198194 25.469034 0.0 0.0 40226.53 0.0 0.0 40226.53 0.0 0.0 40226.53 -1 8038 537.6056672718587 25.5186 0.0 0.0 80430.76 0.0 0.0 80430.76 0.0 0.0 80430.76 -1 8050 373.0923719567104 25.606234 32009.258 124951.68 187129.03 32009.258 124951.68 187129.03 32009.258 124951.68 187129.03 -1 8053 409.06938749609054 25.62785 0.0 47851.883 88503.77 0.0 47851.883 88503.77 0.0 47851.883 88503.77 -1 8053.0 Xanthopterin 8057 548.0942130812434 25.644983 0.0 0.0 72742.22 0.0 0.0 72742.22 0.0 0.0 72742.22 -1 8060 441.0803873967939 25.6077 0.0 21223.531 0.0 0.0 21223.531 0.0 0.0 21223.531 0.0 -1 8065 537.6040985281156 25.6842 0.0 0.0 73854.78 0.0 0.0 73854.78 0.0 0.0 73854.78 -1 8088 497.1814465563651 26.007683 17120.547 0.0 0.0 17120.547 0.0 0.0 17120.547 0.0 0.0 -1 8089 971.352095741998 26.007683 11339.567 0.0 0.0 11339.567 0.0 0.0 11339.567 0.0 0.0 -1 8105 576.1263212282636 26.2544 0.0 0.0 35066.715 0.0 0.0 35066.715 0.0 0.0 35066.715 -1 8153 711.0988764554673 26.450117 0.0 85846.67 0.0 0.0 85846.67 0.0 0.0 85846.67 0.0 31 8161 737.112147413585 26.496666 0.0 70429.516 0.0 0.0 70429.516 0.0 0.0 70429.516 0.0 3 8163 715.1308835171762 26.534666 0.0 307248.78 0.0 0.0 307248.78 0.0 0.0 307248.78 0.0 31 8163.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8165 761.1069771783502 26.5451 0.0 0.0 59228.656 0.0 0.0 59228.656 0.0 0.0 59228.656 -1 8178 611.327195360723 26.584133 27622.72 0.0 0.0 27622.72 0.0 0.0 27622.72 0.0 0.0 -1 8193 795.2644927140609 26.634233 17329.107 0.0 0.0 17329.107 0.0 0.0 17329.107 0.0 0.0 -1 8195 519.0926777681948 26.638567 0.0 56560.016 94477.88 0.0 56560.016 94477.88 0.0 56560.016 94477.88 -1 8197 269.0452766276828 26.649666 0.0 42869.137 0.0 0.0 42869.137 0.0 0.0 42869.137 0.0 43 8197.0 Apigenin 40eV 8207 739.1257734252688 26.666517 0.0 0.0 399765.34 0.0 0.0 399765.34 0.0 0.0 399765.34 3 8212 713.1127099686946 26.687784 0.0 99072.59 0.0 0.0 99072.59 0.0 0.0 99072.59 0.0 31 8212.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8218 625.1353402399383 26.687784 0.0 41979.67 0.0 0.0 41979.67 0.0 0.0 41979.67 0.0 31 8219 711.0948944270433 26.69796 0.0 92114.56 43870.664 0.0 92114.56 43870.664 0.0 92114.56 43870.664 31 8219.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8220 672.1418299295807 26.708134 0.0 0.0 128604.336 0.0 0.0 128604.336 0.0 0.0 128604.336 31 8232 740.129467538929 26.736732 0.0 130729.06 164369.38 0.0 130729.06 164369.38 0.0 130729.06 164369.38 3 8238 671.1394109306145 26.765333 0.0 288780.47 0.0 0.0 288780.47 0.0 0.0 288780.47 0.0 31 8249 667.3897967208289 26.788666 49312.945 0.0 0.0 49312.945 0.0 0.0 49312.945 0.0 0.0 -1 8258 737.1114799750544 26.8084 0.0 70242.68 0.0 0.0 70242.68 0.0 0.0 70242.68 0.0 -1 8265 703.366006663922 26.841284 67423.12 0.0 0.0 67423.12 0.0 0.0 67423.12 0.0 0.0 -1 8292 519.092728857974 26.93335 0.0 64322.938 0.0 0.0 64322.938 0.0 0.0 64322.938 0.0 -1 8296 679.3678290047883 26.951065 0.0 49275.023 57249.58 0.0 49275.023 57249.58 0.0 49275.023 57249.58 -1 8296.0 Massbank:PR306731 isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) 8309 341.1953639229368 27.008333 13818.062 0.0 0.0 13818.062 0.0 0.0 13818.062 0.0 0.0 -1 8310 981.265127928407 27.008333 19881.605 0.0 0.0 19881.605 0.0 0.0 19881.605 0.0 0.0 -1 8318 740.1291974161036 27.014233 0.0 150950.1 0.0 0.0 150950.1 0.0 0.0 150950.1 0.0 -1 8337 761.1077285258764 27.092884 0.0 60139.906 0.0 0.0 60139.906 0.0 0.0 60139.906 0.0 -1 8340 209.1171991138358 27.123266 30937.965 0.0 0.0 30937.965 0.0 0.0 30937.965 0.0 0.0 -1 8366 164.92676929067147 27.177134 16410.852 0.0 0.0 16410.852 0.0 0.0 16410.852 0.0 0.0 -1 8370 740.1282419047762 27.21265 0.0 0.0 179526.08 0.0 0.0 179526.08 0.0 0.0 179526.08 -1 8375 715.1296373334173 27.215683 0.0 566099.44 0.0 0.0 566099.44 0.0 0.0 566099.44 0.0 31 8375.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8397 739.126518013939 27.273642 0.0 445301.16 443681.72 0.0 445301.16 443681.72 0.0 445301.16 443681.72 3 8408 358.06786861196525 27.294634 0.0 0.0 47797.04 0.0 0.0 47797.04 0.0 0.0 47797.04 -1 8420 740.1303647674223 27.3309 0.0 178569.11 0.0 0.0 178569.11 0.0 0.0 178569.11 0.0 -1 8424 731.1237927127816 27.332985 0.0 95651.31 90911.875 0.0 95651.31 90911.875 0.0 95651.31 90911.875 31 8424.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8428 711.0906431419417 27.336983 0.0 0.0 78662.81 0.0 0.0 78662.81 0.0 0.0 78662.81 31 8432 341.1960113871401 27.342417 16710.428 0.0 0.0 16710.428 0.0 0.0 16710.428 0.0 0.0 -1 8434 672.1420305201066 27.354158 0.0 205797.17 222129.42 0.0 205797.17 222129.42 0.0 205797.17 222129.42 31 8448 519.0924175301501 27.397467 0.0 122982.53 190440.75 0.0 122982.53 190440.75 0.0 122982.53 190440.75 -1 8469 717.1423359925454 27.455833 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 31 8469.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8474 669.1211919091653 27.462833 0.0 0.0 141916.39 0.0 0.0 141916.39 0.0 0.0 141916.39 31 8474.0 Salvianolic acid B 8476 671.1386021206122 27.475449 0.0 601165.44 544669.56 0.0 601165.44 544669.56 0.0 601165.44 544669.56 31 8476.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8481 711.0985818510995 27.488066 0.0 162742.52 0.0 0.0 162742.52 0.0 0.0 162742.52 0.0 31 8481.0 Salvianolic acid B 8482 718.1485872751155 27.488066 0.0 2222921.8 0.0 0.0 2222921.8 0.0 0.0 2222921.8 0.0 31 8484 505.1844150131451 27.494667 21161.4 0.0 0.0 21161.4 0.0 0.0 21161.4 0.0 0.0 -1 8506 667.1393164517806 27.577682 0.0 0.0 50325.004 0.0 0.0 50325.004 0.0 0.0 50325.004 31 8506.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid 8512 525.245931994808 27.598867 36743.777 0.0 0.0 36743.777 0.0 0.0 36743.777 0.0 0.0 -1 8517 740.1260063857497 27.614616 0.0 0.0 168797.64 0.0 0.0 168797.64 0.0 0.0 168797.64 3 8530 849.1630850760287 27.65105 0.0 0.0 67151.81 0.0 0.0 67151.81 0.0 0.0 67151.81 -1 8530.0 Spectral Match to Genistin from NIST14 8547 632.314799517863 27.763283 23763.205 0.0 0.0 23763.205 0.0 0.0 23763.205 0.0 0.0 -1 8555 551.1175034053712 27.821234 0.0 0.0 128568.05 0.0 0.0 128568.05 0.0 0.0 128568.05 -1 8567 983.201971763962 27.87435 0.0 362993.53 0.0 0.0 362993.53 0.0 0.0 362993.53 0.0 8 8583 491.096726582381 27.990616 0.0 3554855.2 0.0 0.0 3554855.2 0.0 0.0 3554855.2 0.0 8 8583.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8589 489.0822458501512 28.007435 0.0 274230.16 157108.52 0.0 274230.16 157108.52 0.0 274230.16 157108.52 8 8589.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8597 373.0927486960427 28.043333 33940.2 0.0 0.0 33940.2 0.0 0.0 33940.2 0.0 0.0 -1 8602 665.3894396457331 28.063467 0.0 0.0 181630.44 0.0 0.0 181630.44 0.0 0.0 181630.44 -1 8616 669.4025835179337 28.1418 43165.516 0.0 0.0 43165.516 0.0 0.0 43165.516 0.0 0.0 -1 8631 983.2043863133626 28.186075 0.0 484668.78 152086.94 0.0 484668.78 152086.94 0.0 484668.78 152086.94 8 8636 549.0647544545094 28.199484 0.0 58889.9 0.0 0.0 58889.9 0.0 0.0 58889.9 0.0 31 8636.0 Monomethyl lithospermate 8637 705.3750906589901 28.23645 110305.04 0.0 0.0 110305.04 0.0 0.0 110305.04 0.0 0.0 -1 8639 491.097233116756 28.215467 0.0 0.0 2680236.8 0.0 0.0 2680236.8 0.0 0.0 2680236.8 8 8639.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8642 513.0803005666444 28.215467 0.0 0.0 102996.2 0.0 0.0 102996.2 0.0 0.0 102996.2 8 8642.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8643 551.1195673717014 28.215467 0.0 0.0 336474.72 0.0 0.0 336474.72 0.0 0.0 336474.72 31 8643.0 Monomethyl lithospermate 8678 549.065474613006 28.327116 0.0 0.0 55495.53 0.0 0.0 55495.53 0.0 0.0 55495.53 31 8678.0 Monomethyl lithospermate 8683 667.3871016009886 28.327633 74270.414 0.0 0.0 74270.414 0.0 0.0 74270.414 0.0 0.0 -1 8684 703.3633253350764 28.327633 140572.27 0.0 0.0 140572.27 0.0 0.0 140572.27 0.0 0.0 -1 8687 551.1203425026546 28.357983 0.0 339953.06 0.0 0.0 339953.06 0.0 0.0 339953.06 0.0 -1 8692 513.0796046234424 28.394684 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 8 8692.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8706 242.99595146553992 28.436617 0.0 74391.56 0.0 0.0 74391.56 0.0 0.0 74391.56 0.0 -1 8720 489.0811350226443 28.472916 158356.72 0.0 323992.28 158356.72 0.0 323992.28 158356.72 0.0 323992.28 8 8720.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8721 491.0964069013303 28.472916 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 8 8721.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8736 983.2023690082792 28.511234 0.0 1918214.2 0.0 0.0 1918214.2 0.0 0.0 1918214.2 0.0 8 8740 487.0653860358258 28.512564 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 8 8740.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid 8766 549.0801406990357 28.622984 0.0 0.0 48876.906 0.0 0.0 48876.906 0.0 0.0 48876.906 31 8766.0 Monomethyl lithospermate 8768 513.0789128165255 28.627266 0.0 134773.06 0.0 0.0 134773.06 0.0 0.0 134773.06 0.0 8 8776 667.3871693814806 28.637184 52205.92 0.0 0.0 52205.92 0.0 0.0 52205.92 0.0 0.0 -1 8802 489.09181355566665 28.786734 0.0 159871.86 0.0 0.0 159871.86 0.0 0.0 159871.86 0.0 8 8802.0 NCGC00385737-01_C46H74O17_ 8808 353.0264989377926 28.822666 28238.12 0.0 0.0 28238.12 0.0 0.0 28238.12 0.0 0.0 4 8808.0 luteolin 4'-O-glucoside 8810 759.283137051104 28.822666 48570.375 0.0 0.0 48570.375 0.0 0.0 48570.375 0.0 0.0 -1 8816 285.03920948633754 28.843416 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 43 8816.0 Massbank:PR306202 Eriodictyol 8820 491.0971681202829 28.864166 0.0 819713.56 0.0 0.0 819713.56 0.0 0.0 819713.56 0.0 8 8820.0 Farrerol - 40eV 8824 507.0923182065201 28.864166 0.0 270581.38 0.0 0.0 270581.38 0.0 0.0 270581.38 0.0 -1 8827 283.0235727869066 28.87075 32719.523 0.0 0.0 32719.523 0.0 0.0 32719.523 0.0 0.0 -1 8827.0 luteolin 8844 955.2885831618756 28.955116 40549.16 0.0 0.0 40549.16 0.0 0.0 40549.16 0.0 0.0 -1 8860 505.11092525171415 29.021334 0.0 0.0 103774.484 0.0 0.0 103774.484 0.0 0.0 103774.484 -1 8864 613.2301680198118 29.04225 41529.78 0.0 0.0 41529.78 0.0 0.0 41529.78 0.0 0.0 -1 8876 573.100488506183 29.081766 0.0 111228.03 172045.84 0.0 111228.03 172045.84 0.0 111228.03 172045.84 -1 8888 609.0758702456998 29.099466 0.0 0.0 57155.605 0.0 0.0 57155.605 0.0 0.0 57155.605 -1 8898 551.117262319133 29.121433 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 31 8898.0 Monomethyl lithospermate 8906 505.1096680688501 29.1434 0.0 98940.16 0.0 0.0 98940.16 0.0 0.0 98940.16 0.0 -1 8913 489.2666881160543 29.175333 41662.438 0.0 0.0 41662.438 0.0 0.0 41662.438 0.0 0.0 -1 8923 637.3769824118997 29.262684 0.0 0.0 103192.47 0.0 0.0 103192.47 0.0 0.0 103192.47 -1 8927 850.1666751115761 29.262684 0.0 0.0 161927.45 0.0 0.0 161927.45 0.0 0.0 161927.45 25 8930 257.13764036667567 29.268583 32263.738 0.0 0.0 32263.738 0.0 0.0 32263.738 0.0 0.0 -1 8932 213.11146998011696 29.268583 38528.418 0.0 0.0 38528.418 0.0 0.0 38528.418 0.0 0.0 -1 8934 675.3624734132937 29.303783 0.0 0.0 82325.586 0.0 0.0 82325.586 0.0 0.0 82325.586 -1 8942 543.3263561933395 29.3084 100286.664 0.0 52325.496 100286.664 0.0 52325.496 100286.664 0.0 52325.496 -1 8945 849.1638021202543 29.324932 0.0 355112.1 337788.47 0.0 355112.1 337788.47 0.0 355112.1 337788.47 -1 8953 871.1460948981013 29.344868 0.0 96441.664 65361.21 0.0 96441.664 65361.21 0.0 96441.664 65361.21 -1 8956 473.1077449939382 29.346083 0.0 140687.19 0.0 0.0 140687.19 0.0 0.0 140687.19 0.0 1 8956.0 Massbank:PR306057 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one 8959 509.0852641591574 29.346083 0.0 142453.58 0.0 0.0 142453.58 0.0 0.0 142453.58 0.0 1 8959.0 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one 8974 850.1674529390341 29.38595 0.0 169170.9 0.0 0.0 169170.9 0.0 0.0 169170.9 0.0 25 8978 639.2992418209275 29.4074 30797.271 0.0 0.0 30797.271 0.0 0.0 30797.271 0.0 0.0 -1 8999 371.07693928720585 29.559816 0.0 0.0 38590.633 0.0 0.0 38590.633 0.0 0.0 38590.633 11 8999.0 Massbank:PR307093 trans-Caffeic acid 9000 409.06814283033145 29.5484 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 11 9000.0 Massbank:PR307117 trans-Caffeic acid 9003 373.0916627858617 29.561707 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 11 9003.0 Massbank:PR307093 trans-Caffeic acid 9017 667.3855306943761 29.61995 60292.61 0.0 0.0 60292.61 0.0 0.0 60292.61 0.0 0.0 -1 9018 703.3616960828656 29.61995 93785.6 0.0 0.0 93785.6 0.0 0.0 93785.6 0.0 0.0 -1 9027 449.2720944406808 29.659483 52083.35 0.0 0.0 52083.35 0.0 0.0 52083.35 0.0 0.0 -1 9029 673.3539455941476 29.669767 0.0 0.0 59591.51 0.0 0.0 59591.51 0.0 0.0 59591.51 -1 9037 325.2004366173725 29.704082 142584.62 0.0 194300.47 142584.62 0.0 194300.47 142584.62 0.0 194300.47 -1 9039 583.216376876246 29.70075 58225.715 0.0 0.0 58225.715 0.0 0.0 58225.715 0.0 0.0 -1 9042 705.377089060876 29.72305 0.0 102553.25 0.0 0.0 102553.25 0.0 0.0 102553.25 0.0 -1 9053 489.26811507902687 29.789717 47727.707 0.0 0.0 47727.707 0.0 0.0 47727.707 0.0 0.0 -1 9055 639.3918256443384 29.792667 0.0 0.0 60033.156 0.0 0.0 60033.156 0.0 0.0 60033.156 -1 9059 667.3883986721111 29.80805 0.0 52492.406 0.0 0.0 52492.406 0.0 0.0 52492.406 0.0 -1 9061 703.3654353058637 29.80805 0.0 141206.52 0.0 0.0 141206.52 0.0 0.0 141206.52 0.0 -1 9069 675.3684026478411 29.835533 0.0 0.0 84416.805 0.0 0.0 84416.805 0.0 0.0 84416.805 -1 9075 437.2281719691932 29.835318 54371.848 0.0 0.0 54371.848 0.0 0.0 54371.848 0.0 0.0 -1 9087 577.2844190168606 29.918617 0.0 0.0 38840.777 0.0 0.0 38840.777 0.0 0.0 38840.777 -1 9106 667.3852405988762 30.051567 67503.48 0.0 0.0 67503.48 0.0 0.0 67503.48 0.0 0.0 -1 9115 665.1696471549475 30.04385 0.0 0.0 1574660.8 0.0 0.0 1574660.8 0.0 0.0 1574660.8 1 9115.0 Massbank:PR306224 Diosmetin-7-O-rutinoside 9117 733.1595932390088 30.04385 0.0 0.0 55342.773 0.0 0.0 55342.773 0.0 0.0 55342.773 -1 9126 703.3619269150794 30.051567 138557.72 0.0 0.0 138557.72 0.0 0.0 138557.72 0.0 0.0 -1 9139 639.2989026110884 30.089817 300174.16 0.0 0.0 300174.16 0.0 0.0 300174.16 0.0 0.0 -1 9139.0 3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 9141 675.2751135480559 30.089817 259913.28 0.0 0.0 259913.28 0.0 0.0 259913.28 0.0 0.0 -1 9146 205.04935257952744 30.093613 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 2 9146.0 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 50eV 9151 517.0785523803604 30.13015 0.0 0.0 63728.19 0.0 0.0 63728.19 0.0 0.0 63728.19 44 9151.0 Spectral Match to Rosmarinic acid from NIST14 9157 761.1725181256185 30.150734 0.0 35539.742 0.0 0.0 35539.742 0.0 0.0 35539.742 0.0 -1 9171 213.1115929006833 30.218018 65708.13 0.0 0.0 65708.13 0.0 0.0 65708.13 0.0 0.0 -1 9184 651.1529571324061 30.244217 0.0 50414.367 0.0 0.0 50414.367 0.0 0.0 50414.367 0.0 -1 9187 361.0476537404824 30.251558 0.0 255298.67 168169.88 0.0 255298.67 168169.88 0.0 255298.67 168169.88 11 9187.0 537045-51-5 9189 325.07091697399585 30.251558 0.0 656001.1 370770.75 0.0 656001.1 370770.75 0.0 656001.1 370770.75 11 9189.0 Trans ferulic acid 9197 323.0552707920684 30.274324 0.0 184799.78 104550.516 0.0 184799.78 104550.516 0.0 184799.78 104550.516 11 9197.0 1-hydroxy-10-methylacridone 9198 491.28377126334567 30.296082 91398.44 57831.227 0.0 91398.44 57831.227 0.0 91398.44 57831.227 0.0 -1 9198.0 Massbank:PR309108 FA 18:1+3O 9215 291.1226679081101 30.38135 0.0 32835.11 0.0 0.0 32835.11 0.0 0.0 32835.11 0.0 -1 9217 935.2038819363064 30.38135 0.0 40906.62 0.0 0.0 40906.62 0.0 0.0 40906.62 0.0 -1 9227 541.3115075005167 30.386524 157049.02 0.0 149029.44 157049.02 0.0 149029.44 157049.02 0.0 149029.44 -1 9228 437.2285144946967 30.427633 43011.523 0.0 0.0 43011.523 0.0 0.0 43011.523 0.0 0.0 -1 9236 325.2005024693522 30.427633 88949.93 0.0 0.0 88949.93 0.0 0.0 88949.93 0.0 0.0 -1 9242 287.1483979408675 30.4741 0.0 0.0 52458.645 0.0 0.0 52458.645 0.0 0.0 52458.645 -1 9251 489.26795060471176 30.52135 45075.867 0.0 0.0 45075.867 0.0 0.0 45075.867 0.0 0.0 -1 9256 385.0920219279377 30.51865 0.0 0.0 131317.06 0.0 0.0 131317.06 0.0 0.0 131317.06 -1 9257 421.0686573445775 30.51865 0.0 0.0 71133.77 0.0 0.0 71133.77 0.0 0.0 71133.77 -1 9268 695.2164849830577 30.559317 0.0 0.0 83560.25 0.0 0.0 83560.25 0.0 0.0 83560.25 -1 9275 543.3255241421072 30.5725 108574.56 179232.2 285545.03 108574.56 179232.2 285545.03 108574.56 179232.2 285545.03 -1 9276 701.149341445418 30.574642 0.0 125891.77 123167.414 0.0 125891.77 123167.414 0.0 125891.77 123167.414 31 9282 673.3515902437497 30.602182 0.0 0.0 51114.22 0.0 0.0 51114.22 0.0 0.0 51114.22 -1 9287 577.2202016733611 30.63035 0.0 60092.098 0.0 0.0 60092.098 0.0 0.0 60092.098 0.0 -1 9292 357.2268364771569 30.6531 45072.55 0.0 0.0 45072.55 0.0 0.0 45072.55 0.0 0.0 -1 9297 731.1596291398131 30.672567 0.0 98657.42 0.0 0.0 98657.42 0.0 0.0 98657.42 0.0 -1 9313 688.3676626963456 30.740767 91005.29 0.0 0.0 91005.29 0.0 0.0 91005.29 0.0 0.0 -1 9325 507.0920683343145 30.769466 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 15 9325.0 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate 9338 505.07817770363135 30.7591 0.0 262526.6 0.0 0.0 262526.6 0.0 0.0 262526.6 0.0 15 9338.0 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate 9349 503.0958358832165 30.8087 109095.125 274259.25 0.0 109095.125 274259.25 0.0 109095.125 274259.25 0.0 15 9353 693.1668036171226 30.82015 0.0 0.0 105839.01 0.0 0.0 105839.01 0.0 0.0 105839.01 -1 9354 215.1275225524646 30.82564 155286.84 122385.586 125517.64 155286.84 122385.586 125517.64 155286.84 122385.586 125517.64 -1 9367 695.2160353406499 30.8608 0.0 0.0 105477.14 0.0 0.0 105477.14 0.0 0.0 105477.14 58 9418 395.2026314681021 31.04226 173131.5 0.0 162074.33 173131.5 0.0 162074.33 173131.5 0.0 162074.33 -1 9419 327.2157452395255 31.029785 2942187.2 286994.7 4724996.0 2942187.2 286994.7 4724996.0 2942187.2 286994.7 4724996.0 -1 9420 363.1918567194693 31.022942 142247.23 0.0 238522.33 142247.23 0.0 238522.33 142247.23 0.0 238522.33 -1 9423 385.173976761491 31.04226 140726.27 0.0 154307.3 140726.27 0.0 154307.3 140726.27 0.0 154307.3 -1 9450 439.24450801868295 31.0862 0.0 47919.67 0.0 0.0 47919.67 0.0 0.0 47919.67 0.0 -1 9451 505.1116499070441 31.12685 0.0 262542.22 0.0 0.0 262542.22 0.0 0.0 262542.22 0.0 -1 9452 809.3005101427759 31.12685 0.0 286522.22 0.0 0.0 286522.22 0.0 0.0 286522.22 0.0 -1 9456 810.3047412355965 31.12685 0.0 138563.28 0.0 0.0 138563.28 0.0 0.0 138563.28 0.0 -1 9457 541.0908773524859 31.12685 0.0 99355.59 0.0 0.0 99355.59 0.0 0.0 99355.59 0.0 -1 9463 677.2049049888813 31.139633 0.0 0.0 104982.914 0.0 0.0 104982.914 0.0 0.0 104982.914 -1 9480 521.3276709742088 31.16655 0.0 54046.28 0.0 0.0 54046.28 0.0 0.0 54046.28 0.0 -1 9485 283.1073864615372 31.183968 111102.05 0.0 0.0 111102.05 0.0 0.0 111102.05 0.0 0.0 -1 9510 325.1994022191601 31.2678 80431.15 0.0 0.0 80431.15 0.0 0.0 80431.15 0.0 0.0 -1 9510.0 (10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid 9512 541.308957281458 31.2678 89517.125 0.0 0.0 89517.125 0.0 0.0 89517.125 0.0 0.0 -1 9515 765.3159882052889 31.296034 0.0 36520.78 0.0 0.0 36520.78 0.0 0.0 36520.78 0.0 -1 9528 327.2158235590755 31.3459 1112706.0 0.0 700917.3 1112706.0 0.0 700917.3 1112706.0 0.0 700917.3 -1 9530 385.1732770071819 31.349417 67356.17 0.0 0.0 67356.17 0.0 0.0 67356.17 0.0 0.0 -1 9530.0 Tsangane L 3-glucoside 9532 437.2284952848811 31.349417 91753.266 0.0 0.0 91753.266 0.0 0.0 91753.266 0.0 0.0 -1 9544 541.3127344062484 31.3612 0.0 176749.25 156930.77 0.0 176749.25 156930.77 0.0 176749.25 156930.77 -1 9557 649.3920467120325 31.3886 0.0 52762.633 0.0 0.0 52762.633 0.0 0.0 52762.633 0.0 -1 9564 169.08617387508914 31.434116 0.0 51492.9 0.0 0.0 51492.9 0.0 0.0 51492.9 0.0 -1 9567 519.2730867566709 31.460333 0.0 0.0 42257.65 0.0 0.0 42257.65 0.0 0.0 42257.65 -1 9569 257.1375332276811 31.4747 43402.598 0.0 0.0 43402.598 0.0 0.0 43402.598 0.0 0.0 -1 9574 577.1312011720665 31.501467 0.0 0.0 2955859.0 0.0 0.0 2955859.0 0.0 0.0 2955859.0 1 9574.0 [6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 9575 599.1155932261543 31.501467 0.0 0.0 50332.797 0.0 0.0 50332.797 0.0 0.0 50332.797 -1 9582 519.3112665545364 31.519367 43355.508 0.0 0.0 43355.508 0.0 0.0 43355.508 0.0 0.0 -1 9591 327.21545787379443 31.57505 0.0 46330.28 0.0 0.0 46330.28 0.0 0.0 46330.28 0.0 -1 9593 395.2030258200655 31.578468 104100.2 0.0 33708.277 104100.2 0.0 33708.277 104100.2 0.0 33708.277 -1 9596 541.3104785974566 31.6053 146028.98 0.0 0.0 146028.98 0.0 0.0 146028.98 0.0 0.0 -1 9606 543.3242585280339 31.623034 0.0 44411.457 0.0 0.0 44411.457 0.0 0.0 44411.457 0.0 -1 9609 617.349834311706 31.636784 0.0 0.0 93957.07 0.0 0.0 93957.07 0.0 0.0 93957.07 -1 9610 653.3290107486027 31.636784 0.0 0.0 136970.53 0.0 0.0 136970.53 0.0 0.0 136970.53 -1 9614 548.3397546968126 31.648184 52030.215 0.0 0.0 52030.215 0.0 0.0 52030.215 0.0 0.0 41 9614.0 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol 9663 252.1223625311873 31.81965 134198.55 0.0 0.0 134198.55 0.0 0.0 134198.55 0.0 0.0 -1 9670 517.316500059773 31.843718 0.0 55669.312 0.0 0.0 55669.312 0.0 0.0 55669.312 0.0 -1 9675 731.1582161726568 31.8518 0.0 0.0 129751.805 0.0 0.0 129751.805 0.0 0.0 129751.805 -1 9677 313.06974200613274 31.85925 221021.77 0.0 0.0 221021.77 0.0 0.0 221021.77 0.0 0.0 2 9677.0 Isofraxidin 9687 325.1997527914024 31.85925 78834.195 0.0 0.0 78834.195 0.0 0.0 78834.195 0.0 0.0 -1 9688 809.3037945524915 31.8876 0.0 271064.75 0.0 0.0 271064.75 0.0 0.0 271064.75 0.0 -1 9690 845.2821396540154 31.8876 0.0 46593.33 0.0 0.0 46593.33 0.0 0.0 46593.33 0.0 -1 9703 327.2158758444787 31.93495 0.0 0.0 206235.11 0.0 0.0 206235.11 0.0 0.0 206235.11 -1 9706 695.2153000734577 31.93495 0.0 0.0 105164.625 0.0 0.0 105164.625 0.0 0.0 105164.625 -1 9727 541.3123420813167 32.00406 0.0 33535.832 68442.125 0.0 33535.832 68442.125 0.0 33535.832 68442.125 -1 9736 426.2838635451365 32.01779 126441.695 0.0 58686.285 126441.695 0.0 58686.285 126441.695 0.0 58686.285 -1 9740 713.112120263228 32.01808 0.0 0.0 153136.88 0.0 0.0 153136.88 0.0 0.0 153136.88 44 9744 297.1231494439484 32.05725 240347.17 0.0 0.0 240347.17 0.0 0.0 240347.17 0.0 0.0 -1 9754 345.2274650658861 32.11152 49038.45 43843.51 0.0 49038.45 43843.51 0.0 49038.45 43843.51 0.0 -1 9760 831.4373509098505 32.126366 0.0 62059.805 0.0 0.0 62059.805 0.0 0.0 62059.805 0.0 -1 9765 813.4497440459148 32.142384 50883.13 0.0 0.0 50883.13 0.0 0.0 50883.13 0.0 0.0 -1 9767 487.0655567937653 32.142883 0.0 0.0 126211.8 0.0 0.0 126211.8 0.0 0.0 126211.8 -1 9782 541.3139714106638 32.207283 0.0 28742.648 0.0 0.0 28742.648 0.0 0.0 28742.648 0.0 -1 9794 331.24798786858 32.259693 598365.7 316060.9 1145363.8 598365.7 316060.9 1145363.8 598365.7 316060.9 1145363.8 -1 9797 367.2210338802735 32.261883 0.0 0.0 86323.03 0.0 0.0 86323.03 0.0 0.0 86323.03 -1 9800 512.3004160365724 32.265533 112535.625 0.0 0.0 112535.625 0.0 0.0 112535.625 0.0 0.0 -1 9810 269.0450166085988 32.297974 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 43 9810.0 Apigenin 40eV 9851 329.23193956282216 32.419056 2308053.8 1158971.4 2914390.8 2308053.8 1158971.4 2914390.8 2308053.8 1158971.4 2914390.8 -1 9852 365.20819379409767 32.419056 128108.72 96506.62 215079.34 128108.72 96506.62 215079.34 128108.72 96506.62 215079.34 -1 9854 397.21925358567074 32.419056 172097.83 100675.54 143605.42 172097.83 100675.54 143605.42 172097.83 100675.54 143605.42 -1 9856 505.113404301953 32.419617 0.0 117955.52 144223.78 0.0 117955.52 144223.78 0.0 117955.52 144223.78 -1 9874 512.2958549352244 32.457283 871966.25 0.0 0.0 871966.25 0.0 0.0 871966.25 0.0 0.0 -1 9888 439.2761913722868 32.53858 84273.086 0.0 0.0 84273.086 0.0 0.0 84273.086 0.0 0.0 -1 9900 677.2066572293844 32.579384 0.0 0.0 277988.03 0.0 0.0 277988.03 0.0 0.0 277988.03 -1 9900.0 Massbank:PR305994 Cyanidin-3-O-rutinoside 9923 521.2844269879639 32.654385 0.0 0.0 75797.1 0.0 0.0 75797.1 0.0 0.0 75797.1 -1 9927 299.0543536325225 32.65605 450942.8 0.0 0.0 450942.8 0.0 0.0 450942.8 0.0 0.0 -1 9927.0 Diosmetin 9932 509.24908078789656 32.65605 102878.086 0.0 0.0 102878.086 0.0 0.0 102878.086 0.0 0.0 -1 9937 313.07081794806453 32.659134 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 2 9937.0 Massbank:PR305712 Rosmarinic acid 9938 349.0480053729852 32.660675 0.0 115090.59 411060.8 0.0 115090.59 411060.8 0.0 115090.59 411060.8 2 9938.0 apiosylskimmin 9940 361.1760389236524 32.693466 97512.18 0.0 0.0 97512.18 0.0 0.0 97512.18 0.0 0.0 -1 9952 283.1537749170954 32.736633 0.0 0.0 53047.145 0.0 0.0 53047.145 0.0 0.0 53047.145 -1 9979 321.1337923513391 32.86487 0.0 0.0 51006.43 0.0 0.0 51006.43 0.0 0.0 51006.43 -1 9988 327.2160507757472 32.879063 3386448.0 94605.07 540163.8 3386448.0 94605.07 540163.8 3386448.0 94605.07 540163.8 -1 9989 385.17363815681085 32.896782 152284.6 0.0 0.0 152284.6 0.0 0.0 152284.6 0.0 0.0 -1 9990 395.20173974037766 32.896782 173415.48 0.0 0.0 173415.48 0.0 0.0 173415.48 0.0 0.0 -1 10009 709.2336398429484 32.904316 0.0 0.0 134934.53 0.0 0.0 134934.53 0.0 0.0 134934.53 58 10010 565.1362158305915 32.91109 0.0 58542.02 258197.06 0.0 58542.02 258197.06 0.0 58542.02 258197.06 -1 10010.0 Salvianolic acid B 10042 577.132694739715 32.982983 0.0 0.0 379460.03 0.0 0.0 379460.03 0.0 0.0 379460.03 1 10042.0 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 10050 428.2969719113477 33.016933 68641.25 0.0 0.0 68641.25 0.0 0.0 68641.25 0.0 0.0 -1 10056 514.3107017819424 33.016933 273960.4 0.0 0.0 273960.4 0.0 0.0 273960.4 0.0 0.0 -1 10060 667.3315335051798 33.02325 0.0 0.0 74636.57 0.0 0.0 74636.57 0.0 0.0 74636.57 -1 10060.0 Massbank:FIO00937 Cynarine 10069 301.2006801456749 33.054665 0.0 28575.32 65238.58 0.0 28575.32 65238.58 0.0 28575.32 65238.58 -1 10083 689.388603569425 33.088768 0.0 118904.734 0.0 0.0 118904.734 0.0 0.0 118904.734 0.0 -1 10098 737.1152901344966 33.13027 0.0 77241.98 0.0 0.0 77241.98 0.0 0.0 77241.98 0.0 -1 10104 509.2480204631457 33.139534 110783.305 0.0 0.0 110783.305 0.0 0.0 110783.305 0.0 0.0 -1 10132 597.23214680972 33.223434 69459.45 0.0 0.0 69459.45 0.0 0.0 69459.45 0.0 0.0 -1 10145 287.221031999188 33.254597 175449.75 48413.95 387062.62 175449.75 48413.95 387062.62 175449.75 48413.95 387062.62 -1 10152 711.1921417755847 33.2767 0.0 0.0 125332.57 0.0 0.0 125332.57 0.0 0.0 125332.57 -1 10154 426.2821242554304 33.304432 142010.25 0.0 0.0 142010.25 0.0 0.0 142010.25 0.0 0.0 -1 10162 445.094400322622 33.304466 0.0 113929.29 0.0 0.0 113929.29 0.0 0.0 113929.29 0.0 -1 10183 440.297026834865 33.34485 120902.26 0.0 0.0 120902.26 0.0 0.0 120902.26 0.0 0.0 -1 10192 419.2646900071938 33.386234 0.0 57210.215 0.0 0.0 57210.215 0.0 0.0 57210.215 0.0 -1 10212 329.23167784138514 33.447124 305816.4 82317.625 90608.05 305816.4 82317.625 90608.05 305816.4 82317.625 90608.05 -1 10241 229.14394217728915 33.519733 0.0 61650.332 0.0 0.0 61650.332 0.0 0.0 61650.332 0.0 -1 10244 649.3967582947571 33.519733 0.0 101730.54 0.0 0.0 101730.54 0.0 0.0 101730.54 0.0 -1 10283 537.0808377246697 33.604084 0.0 0.0 513702.38 0.0 0.0 513702.38 0.0 0.0 513702.38 56 10283.0 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 10286 687.372284077692 33.604782 0.0 70599.03 0.0 0.0 70599.03 0.0 0.0 70599.03 0.0 -1 10297 329.23220891011016 33.646793 0.0 151056.17 220475.5 0.0 151056.17 220475.5 0.0 151056.17 220475.5 -1 10307 692.353922725034 33.642185 0.0 0.0 198575.19 0.0 0.0 198575.19 0.0 0.0 198575.19 -1 10334 539.2979430344288 33.69865 0.0 43888.938 0.0 0.0 43888.938 0.0 0.0 43888.938 0.0 -1 10336 307.18848010664937 33.710716 48259.42 0.0 0.0 48259.42 0.0 0.0 48259.42 0.0 0.0 -1 10341 449.2383376586226 33.724068 0.0 0.0 75225.336 0.0 0.0 75225.336 0.0 0.0 75225.336 -1 10366 309.2046574500752 33.794426 306723.84 43816.664 0.0 306723.84 43816.664 0.0 306723.84 43816.664 0.0 -1 10387 239.12778353039408 33.861183 153010.95 34144.67 0.0 153010.95 34144.67 0.0 153010.95 34144.67 0.0 -1 10388 578.3055684075605 33.863274 59719.867 0.0 146135.6 59719.867 0.0 146135.6 59719.867 0.0 146135.6 -1 10390 445.0943752446582 33.890865 0.0 159363.53 0.0 0.0 159363.53 0.0 0.0 159363.53 0.0 -1 10391 385.2237233198856 33.890865 0.0 42736.12 0.0 0.0 42736.12 0.0 0.0 42736.12 0.0 -1 10407 431.2268933050656 33.893433 0.0 0.0 73024.17 0.0 0.0 73024.17 0.0 0.0 73024.17 -1 10414 491.315769951644 33.937 0.0 0.0 74591.805 0.0 0.0 74591.805 0.0 0.0 74591.805 -1 10425 307.19040767179456 33.967697 69600.35 41375.8 0.0 69600.35 41375.8 0.0 69600.35 41375.8 0.0 -1 10427 487.2864395129765 33.981182 0.0 0.0 49560.43 0.0 0.0 49560.43 0.0 0.0 49560.43 -1 10432 447.3307649242141 34.024532 0.0 0.0 142839.45 0.0 0.0 142839.45 0.0 0.0 142839.45 -1 10439 387.28597361162696 34.028435 0.0 45895.215 0.0 0.0 45895.215 0.0 0.0 45895.215 0.0 -1 10440 341.2313963138401 34.0436 571320.44 0.0 0.0 571320.44 0.0 0.0 571320.44 0.0 0.0 -1 10443 409.2176670313427 34.0436 58932.473 0.0 0.0 58932.473 0.0 0.0 58932.473 0.0 0.0 -1 10445 524.2950385711423 34.0436 81604.266 0.0 0.0 81604.266 0.0 0.0 81604.266 0.0 0.0 -1 10446 329.2321594152186 34.06097 190822.64 64851.652 87289.23 190822.64 64851.652 87289.23 190822.64 64851.652 87289.23 -1 10461 442.31371809781615 34.084183 63338.598 0.0 0.0 63338.598 0.0 0.0 63338.598 0.0 0.0 -1 10462 505.11623754831874 34.116783 0.0 75959.74 0.0 0.0 75959.74 0.0 0.0 75959.74 0.0 -1 10464 322.2003862245931 34.09584 125718.25 0.0 119166.484 125718.25 0.0 119166.484 125718.25 0.0 119166.484 10 10464.0 N-ACETYL-L-LEUCINE 10506 487.2886305206723 34.23575 0.0 0.0 86748.37 0.0 0.0 86748.37 0.0 0.0 86748.37 -1 10522 309.20575223324084 34.285816 0.0 0.0 167556.1 0.0 0.0 167556.1 0.0 0.0 167556.1 -1 10523 341.2290430470754 34.285816 0.0 0.0 37801.168 0.0 0.0 37801.168 0.0 0.0 37801.168 -1 10529 440.2979451148586 34.299484 119112.0 0.0 0.0 119112.0 0.0 0.0 119112.0 0.0 0.0 -1 10529.0 Massbank:RP029713 N-Oleyl-Leucine|N-oleoyl leucine|(2S)-4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid 10533 623.1189128614716 34.330303 0.0 0.0 97362.45 0.0 0.0 97362.45 0.0 0.0 97362.45 -1 10545 593.270258782586 34.357117 0.0 26265.762 0.0 0.0 26265.762 0.0 0.0 26265.762 0.0 -1 10547 533.3286254185217 34.369385 0.0 0.0 90823.836 0.0 0.0 90823.836 0.0 0.0 90823.836 -1 10569 303.0074417038669 34.462868 0.0 24884.725 0.0 0.0 24884.725 0.0 0.0 24884.725 0.0 -1 10574 382.2552436979806 34.4814 42815.984 0.0 0.0 42815.984 0.0 0.0 42815.984 0.0 0.0 -1 10574.0 O-PHOSPHO-L-SERINE - 60.0 eV 10576 313.237696999795 34.49492 0.0 0.0 183751.02 0.0 0.0 183751.02 0.0 0.0 183751.02 -1 10578 345.26321047607723 34.49492 0.0 0.0 64315.613 0.0 0.0 64315.613 0.0 0.0 64315.613 -1 10588 431.2605702197673 34.524403 124718.61 0.0 0.0 124718.61 0.0 0.0 124718.61 0.0 0.0 -1 10599 421.2323119080877 34.524403 126321.79 0.0 0.0 126321.79 0.0 0.0 126321.79 0.0 0.0 -1 10601 580.3255966484995 34.534767 0.0 0.0 132697.08 0.0 0.0 132697.08 0.0 0.0 132697.08 -1 10613 475.29165194173146 34.56705 0.0 50863.91 0.0 0.0 50863.91 0.0 0.0 50863.91 0.0 -1 10629 349.20024489186494 34.61585 0.0 45605.324 0.0 0.0 45605.324 0.0 0.0 45605.324 0.0 -1 10639 537.0825860912664 34.65295 0.0 0.0 383726.72 0.0 0.0 383726.72 0.0 0.0 383726.72 56 10639.0 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 10668 529.2991243707612 34.772827 117161.05 0.0 206916.89 117161.05 0.0 206916.89 117161.05 0.0 206916.89 -1 10670 580.3233831823335 34.774937 0.0 0.0 75386.805 0.0 0.0 75386.805 0.0 0.0 75386.805 -1 10670.0 Massbank:PR309157 LPC 18:3 10684 565.2765278777312 34.792404 130661.1 0.0 335075.84 130661.1 0.0 335075.84 130661.1 0.0 335075.84 -1 10698 313.23860599258694 34.852333 0.0 84989.85 0.0 0.0 84989.85 0.0 0.0 84989.85 0.0 -1 10706 343.16678905441165 34.852028 75195.14 0.0 83930.195 75195.14 0.0 83930.195 75195.14 0.0 83930.195 -1 10708 307.1894422685011 34.85213 852924.25 40120.41 546965.0 852924.25 40120.41 546965.0 852924.25 40120.41 546965.0 -1 10708.0 CORTICOSTERONE 10709 375.1790631174384 34.852028 125795.92 0.0 61631.594 125795.92 0.0 61631.594 125795.92 0.0 61631.594 -1 10738 287.1856252863183 34.969658 0.0 47358.363 125509.38 0.0 47358.363 125509.38 0.0 47358.363 125509.38 -1 10738.0 Massbank:PR311099 Camptothecin 10741 369.22383939306377 34.986065 0.0 0.0 92352.53 0.0 0.0 92352.53 0.0 0.0 92352.53 -1 10744 311.22062573306755 34.996334 0.0 29133.783 0.0 0.0 29133.783 0.0 0.0 29133.783 0.0 -1 10750 271.15372192582544 35.027233 0.0 0.0 52376.582 0.0 0.0 52376.582 0.0 0.0 52376.582 -1 10755 187.13312223694027 35.040432 0.0 91322.38 0.0 0.0 91322.38 0.0 0.0 91322.38 0.0 -1 10777 243.1591232795749 35.086082 0.0 35217.934 0.0 0.0 35217.934 0.0 0.0 35217.934 0.0 -1 10778 309.2051821828307 35.096233 898338.8 0.0 0.0 898338.8 0.0 0.0 898338.8 0.0 0.0 -1 10779 345.1810302804016 35.096233 101592.68 0.0 0.0 101592.68 0.0 0.0 101592.68 0.0 0.0 -1 10793 309.1747952095491 35.13145 0.0 96677.47 0.0 0.0 96677.47 0.0 0.0 96677.47 0.0 -1 10796 341.230857805534 35.13785 523841.78 0.0 0.0 523841.78 0.0 0.0 523841.78 0.0 0.0 -1 10797 377.1941505906301 35.13785 85945.83 0.0 0.0 85945.83 0.0 0.0 85945.83 0.0 0.0 -1 10807 707.1526973910493 35.157833 0.0 0.0 76651.805 0.0 0.0 76651.805 0.0 0.0 76651.805 -1 10814 695.3797212493325 35.1795 68740.05 0.0 0.0 68740.05 0.0 0.0 68740.05 0.0 0.0 -1 10815 271.1541503371502 35.198032 0.0 0.0 53002.207 0.0 0.0 53002.207 0.0 0.0 53002.207 -1 10817 673.3218487204495 35.198032 0.0 0.0 444426.75 0.0 0.0 444426.75 0.0 0.0 444426.75 52 10817.0 Griseofulvin 10818 674.325338175897 35.198032 0.0 0.0 181623.27 0.0 0.0 181623.27 0.0 0.0 181623.27 -1 10822 491.2412150746976 35.2232 56120.824 0.0 0.0 56120.824 0.0 0.0 56120.824 0.0 0.0 -1 10832 356.2423146944898 35.267025 71726.16 29821.16 0.0 71726.16 29821.16 0.0 71726.16 29821.16 0.0 -1 10833 325.20190106476764 35.26782 0.0 73846.26 0.0 0.0 73846.26 0.0 0.0 73846.26 0.0 -1 10844 309.20474804847663 35.308765 266383.78 0.0 0.0 266383.78 0.0 0.0 266383.78 0.0 0.0 -1 10855 529.30018104667 35.319435 0.0 0.0 98739.055 0.0 0.0 98739.055 0.0 0.0 98739.055 -1 10879 861.4460804282738 35.40415 0.0 0.0 80352.06 0.0 0.0 80352.06 0.0 0.0 80352.06 -1 10889 582.3412185780085 35.447567 0.0 175652.3 0.0 0.0 175652.3 0.0 0.0 175652.3 0.0 19 10889.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV 10890 311.1877878828016 35.425858 0.0 182249.22 199260.38 0.0 182249.22 199260.38 0.0 182249.22 199260.38 -1 10890.0 Massbank:PR307106 trans-Caffeic acid 10916 323.1863044726149 35.486683 0.0 47954.508 0.0 0.0 47954.508 0.0 0.0 47954.508 0.0 -1 10929 491.2410833992718 35.563282 48881.258 0.0 0.0 48881.258 0.0 0.0 48881.258 0.0 0.0 -1 10941 476.31984099598617 35.6044 93529.15 0.0 0.0 93529.15 0.0 0.0 93529.15 0.0 0.0 -1 10947 669.290187045785 35.607784 0.0 0.0 165978.08 0.0 0.0 165978.08 0.0 0.0 165978.08 52 10947.0 Caffeic acid phenethyl ester 10952 387.2376522746552 35.64562 115483.11 0.0 0.0 115483.11 0.0 0.0 115483.11 0.0 0.0 -1 10959 293.17482069806726 35.65127 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 20 10959.0 4(RS)-ST-del5-8-NeuroF 10960 351.1353560938232 35.65938 0.0 61441.83 0.0 0.0 61441.83 0.0 0.0 61441.83 0.0 20 10960.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 10961 361.1637657520787 35.65127 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 20 10961.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 10969 609.3406730722398 35.65938 0.0 96308.56 0.0 0.0 96308.56 0.0 0.0 96308.56 0.0 -1 10969.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 10971 236.1042529079093 35.6541 0.0 72677.28 63889.2 0.0 72677.28 63889.2 0.0 72677.28 63889.2 -1 11010 837.4107377021462 35.768494 299578.4 0.0 361293.4 299578.4 0.0 361293.4 299578.4 0.0 361293.4 -1 11011 873.3879407988175 35.768494 154575.06 0.0 194956.69 154575.06 0.0 194956.69 154575.06 0.0 194956.69 -1 11022 377.199044525079 35.80375 85479.6 0.0 0.0 85479.6 0.0 0.0 85479.6 0.0 0.0 -1 11028 723.1691545413419 35.81008 0.0 0.0 248788.95 0.0 0.0 248788.95 0.0 0.0 248788.95 1 11028.0 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 11029 759.1457744216094 35.81008 0.0 0.0 151743.3 0.0 0.0 151743.3 0.0 0.0 151743.3 -1 11032 309.2051834045291 35.826385 480869.6 0.0 86734.3 480869.6 0.0 86734.3 480869.6 0.0 86734.3 -1 11035 311.2217716156988 35.8391 282789.4 152032.78 0.0 282789.4 152032.78 0.0 282789.4 152032.78 0.0 -1 11045 483.2361239519546 35.835335 0.0 33219.207 0.0 0.0 33219.207 0.0 0.0 33219.207 0.0 -1 11074 580.3243394507981 35.96595 0.0 46788.48 0.0 0.0 46788.48 0.0 0.0 46788.48 0.0 -1 11085 669.2909488486522 35.972633 0.0 0.0 115644.95 0.0 0.0 115644.95 0.0 0.0 115644.95 -1 11118 311.2204862765988 36.026474 5086320.5 0.0 196686.45 5086320.5 0.0 196686.45 5086320.5 0.0 196686.45 -1 11119 379.2081514926976 36.042233 341050.38 0.0 0.0 341050.38 0.0 0.0 341050.38 0.0 0.0 -1 11120 543.279784218404 36.042233 106521.27 0.0 0.0 106521.27 0.0 0.0 106521.27 0.0 0.0 -1 11121 305.1742286435362 36.032375 0.0 38578.824 253255.67 0.0 38578.824 253255.67 0.0 38578.824 253255.67 -1 11131 645.4294963438564 36.042233 501727.6 0.0 0.0 501727.6 0.0 0.0 501727.6 0.0 0.0 -1 11162 309.2020471461774 36.117535 280505.7 0.0 0.0 280505.7 0.0 0.0 280505.7 0.0 0.0 -1 11169 301.2005620347588 36.151085 0.0 23973.227 0.0 0.0 23973.227 0.0 0.0 23973.227 0.0 -1 11180 345.180788636494 36.157032 267745.72 0.0 0.0 267745.72 0.0 0.0 267745.72 0.0 0.0 -1 11189 311.22154922639663 36.158836 0.0 166221.58 297022.94 0.0 166221.58 297022.94 0.0 166221.58 297022.94 -1 11190 379.2066687147936 36.151085 0.0 24254.44 0.0 0.0 24254.44 0.0 0.0 24254.44 0.0 -1 11199 386.288378405089 36.195168 199973.47 0.0 0.0 199973.47 0.0 0.0 199973.47 0.0 0.0 -1 11203 349.2128721376471 36.204792 0.0 53674.645 621020.9 0.0 53674.645 621020.9 0.0 53674.645 621020.9 -1 11206 309.18647618636163 36.206 0.0 0.0 101209.445 0.0 0.0 101209.445 0.0 0.0 101209.445 -1 11222 309.1734359120089 36.254 0.0 121855.09 0.0 0.0 121855.09 0.0 0.0 121855.09 0.0 -1 11228 675.3566281327456 36.273182 137252.03 0.0 0.0 137252.03 0.0 0.0 137252.03 0.0 0.0 -1 11229 711.3341971937349 36.283817 0.0 0.0 230641.17 0.0 0.0 230641.17 0.0 0.0 230641.17 -1 11230 721.3625163882599 36.273182 145062.73 0.0 0.0 145062.73 0.0 0.0 145062.73 0.0 0.0 -1 11230.0 Massbank:PR309171 DGMG 18:3 11233 257.17502097208416 36.30028 0.0 41969.656 0.0 0.0 41969.656 0.0 0.0 41969.656 0.0 -1 11235 483.2369168105501 36.30028 0.0 21284.994 0.0 0.0 21284.994 0.0 0.0 21284.994 0.0 -1 11239 194.08088051776969 36.322334 0.0 0.0 123630.3 0.0 0.0 123630.3 0.0 0.0 123630.3 -1 11239.0 ID-8 11254 636.3138348309843 36.3534 124804.555 0.0 0.0 124804.555 0.0 0.0 124804.555 0.0 0.0 -1 11262 641.1656046685545 36.36175 0.0 0.0 142039.58 0.0 0.0 142039.58 0.0 0.0 142039.58 29 11266 239.1275648140292 36.346233 0.0 62251.12 0.0 0.0 62251.12 0.0 0.0 62251.12 0.0 -1 11296 339.18152477784247 36.447384 0.0 37773.566 0.0 0.0 37773.566 0.0 0.0 37773.566 0.0 -1 11299 323.2211484322016 36.47265 87097.84 0.0 0.0 87097.84 0.0 0.0 87097.84 0.0 0.0 -1 11307 360.2738107915054 36.482132 103532.625 42137.484 0.0 103532.625 42137.484 0.0 103532.625 42137.484 0.0 -1 11329 562.3137662083946 36.565582 0.0 0.0 110426.79 0.0 0.0 110426.79 0.0 0.0 110426.79 -1 11333 641.1654049110597 36.565582 0.0 0.0 366384.66 0.0 0.0 366384.66 0.0 0.0 366384.66 29 11337 722.366861311036 36.565582 0.0 0.0 663602.44 0.0 0.0 663602.44 0.0 0.0 663602.44 9 11337.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV 11342 675.3585994290186 36.587933 855532.2 0.0 0.0 855532.2 0.0 0.0 855532.2 0.0 0.0 9 11343 711.3350563109104 36.57676 630826.3 0.0 1340630.1 630826.3 0.0 1340630.1 630826.3 0.0 1340630.1 -1 11344 721.3636978621797 36.57676 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 9 11344.0 Melezitose 11348 221.0941135405828 36.5797 0.0 35007.727 0.0 0.0 35007.727 0.0 0.0 35007.727 0.0 -1 11380 194.0812250209308 36.641018 0.0 0.0 67062.94 0.0 0.0 67062.94 0.0 0.0 67062.94 -1 11395 201.14841478775992 36.723915 0.0 21556.729 0.0 0.0 21556.729 0.0 0.0 21556.729 0.0 -1 11395.0 Massbank:RP011503 Anthranilic acid|2-azaniumylbenzoate 11401 677.141343210815 36.726215 0.0 0.0 244106.88 0.0 0.0 244106.88 0.0 0.0 244106.88 29 11403 323.22154362513413 36.743767 320835.34 0.0 0.0 320835.34 0.0 0.0 320835.34 0.0 0.0 -1 11406 424.3049634823476 36.743767 222300.61 0.0 0.0 222300.61 0.0 0.0 222300.61 0.0 0.0 -1 11422 323.1864749002028 36.77045 0.0 93828.56 0.0 0.0 93828.56 0.0 0.0 93828.56 0.0 -1 11434 699.3935014424208 36.76935 0.0 0.0 67515.1 0.0 0.0 67515.1 0.0 0.0 67515.1 -1 11444 552.2856748800185 36.80835 0.0 0.0 132344.08 0.0 0.0 132344.08 0.0 0.0 132344.08 19 11445 562.3138949759826 36.815258 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 19 11445.0 Massbank:PR309160 LPC 18:1 11447 132.9226047958089 36.82135 0.0 21183.346 0.0 0.0 21183.346 0.0 0.0 21183.346 0.0 -1 11461 637.4006893375563 36.875484 0.0 30963.002 0.0 0.0 30963.002 0.0 0.0 30963.002 0.0 -1 11479 293.17523873023174 36.92555 0.0 316535.16 0.0 0.0 316535.16 0.0 0.0 316535.16 0.0 -1 11479.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 11480 361.1648632646303 36.92555 0.0 26825.064 0.0 0.0 26825.064 0.0 0.0 26825.064 0.0 -1 11489 313.2375652060672 36.93789 448142.28 0.0 87220.914 448142.28 0.0 87220.914 448142.28 0.0 87220.914 -1 11499 309.205658304138 36.95809 110771.27 0.0 86506.04 110771.27 0.0 86506.04 110771.27 0.0 86506.04 -1 11500 345.1832592701016 36.95809 185841.36 0.0 150905.6 185841.36 0.0 150905.6 185841.36 0.0 150905.6 -1 11509 641.1658314120363 36.973583 0.0 0.0 147191.73 0.0 0.0 147191.73 0.0 0.0 147191.73 -1 11517 311.22206573692466 36.983383 93985.86 0.0 0.0 93985.86 0.0 0.0 93985.86 0.0 0.0 -1 11535 815.4286579222695 37.0263 111606.22 0.0 0.0 111606.22 0.0 0.0 111606.22 0.0 0.0 -1 11551 538.3126826613999 37.096466 0.0 0.0 130620.96 0.0 0.0 130620.96 0.0 0.0 130620.96 19 11560 440.3010175420556 37.110783 65329.61 0.0 0.0 65329.61 0.0 0.0 65329.61 0.0 0.0 -1 11576 313.2373188217744 37.1379 0.0 0.0 164504.02 0.0 0.0 164504.02 0.0 0.0 164504.02 -1 11576.0 Kuwanon C 11578 381.2252539618347 37.15205 118261.875 0.0 0.0 118261.875 0.0 0.0 118261.875 0.0 0.0 -1 11582 638.3293905351051 37.15205 215150.27 0.0 0.0 215150.27 0.0 0.0 215150.27 0.0 0.0 -1 11582.0 Massbank:PR309168 Hexosyl LPE 18:3 11607 477.2848499990381 37.21655 0.0 0.0 319570.34 0.0 0.0 319570.34 0.0 0.0 319570.34 26 11607.0 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate 11621 295.19139046297613 37.231533 68165.42 0.0 0.0 68165.42 0.0 0.0 68165.42 0.0 0.0 -1 11621.0 7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 11627 271.19068803084605 37.23894 0.0 37301.883 108464.414 0.0 37301.883 108464.414 0.0 37301.883 108464.414 -1 11636 557.2975154901724 37.255615 0.0 0.0 128385.26 0.0 0.0 128385.26 0.0 0.0 128385.26 -1 11643 313.237461609574 37.261333 0.0 175451.88 0.0 0.0 175451.88 0.0 0.0 175451.88 0.0 -1 11664 291.1955720436698 37.30794 104430.98 0.0 112695.32 104430.98 0.0 112695.32 104430.98 0.0 112695.32 20 11664.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 11679 347.1975476592953 37.3487 0.0 23266.564 0.0 0.0 23266.564 0.0 0.0 23266.564 0.0 -1 11686 677.3737203489316 37.36954 233737.8 0.0 266412.94 233737.8 0.0 266412.94 233737.8 0.0 266412.94 9 11687 713.3494975545016 37.378582 0.0 0.0 241860.55 0.0 0.0 241860.55 0.0 0.0 241860.55 -1 11695 564.328357754319 37.378582 0.0 0.0 208762.39 0.0 0.0 208762.39 0.0 0.0 208762.39 19 11695.0 Massbank:PR309158 LPC 18:2 11696 723.3789549914684 37.388756 228790.38 0.0 268885.25 228790.38 0.0 268885.25 228790.38 0.0 268885.25 9 11698 194.0814401256829 37.399517 0.0 39928.78 0.0 0.0 39928.78 0.0 0.0 39928.78 0.0 -1 11706 647.3283956264919 37.398933 100521.33 0.0 0.0 100521.33 0.0 0.0 100521.33 0.0 0.0 -1 11720 311.22069382817784 37.44775 0.0 43890.145 0.0 0.0 43890.145 0.0 0.0 43890.145 0.0 -1 11733 270.2064687501034 37.44775 0.0 42851.582 0.0 0.0 42851.582 0.0 0.0 42851.582 0.0 -1 11733.0 N-ACETYL-L-LEUCINE 11752 699.3814904438625 37.478085 125252.5 0.0 0.0 125252.5 0.0 0.0 125252.5 0.0 0.0 -1 11754 308.2219973387761 37.478085 82254.88 0.0 0.0 82254.88 0.0 0.0 82254.88 0.0 0.0 -1 11791 449.23106539257344 37.561184 79030.66 0.0 0.0 79030.66 0.0 0.0 79030.66 0.0 0.0 -1 11794 385.25811567300457 37.5765 0.0 0.0 109157.66 0.0 0.0 109157.66 0.0 0.0 109157.66 -1 11794.0 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid 11800 291.1957040174102 37.588367 167849.44 0.0 237801.23 167849.44 0.0 237801.23 167849.44 0.0 237801.23 20 11800.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 11803 323.1855743792608 37.594517 0.0 137266.8 0.0 0.0 137266.8 0.0 0.0 137266.8 0.0 -1 11814 554.3014273702231 37.61762 0.0 0.0 144206.64 0.0 0.0 144206.64 0.0 0.0 144206.64 19 11814.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV 11829 632.3177271368539 37.61762 0.0 0.0 126109.24 0.0 0.0 126109.24 0.0 0.0 126109.24 35 11830 564.3298833315207 37.628277 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 19 11830.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV 11856 347.1982125521498 37.677902 167605.95 41163.93 0.0 167605.95 41163.93 0.0 167605.95 41163.93 0.0 -1 11878 559.3121264141395 37.697983 0.0 0.0 128570.08 0.0 0.0 128570.08 0.0 0.0 128570.08 42 11878.0 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV 11879 273.1500696630121 37.717335 85575.34 0.0 0.0 85575.34 0.0 0.0 85575.34 0.0 0.0 -1 11879.0 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid 11899 315.2522267936821 37.765335 102652.56 31430.959 0.0 102652.56 31430.959 0.0 102652.56 31430.959 0.0 -1 11910 614.3307223368151 37.7575 318388.75 0.0 0.0 318388.75 0.0 0.0 318388.75 0.0 0.0 -1 11910.0 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid 11938 547.312832530171 37.839867 66420.37 0.0 0.0 66420.37 0.0 0.0 66420.37 0.0 0.0 -1 11943 845.4505901602635 37.860985 0.0 0.0 159312.8 0.0 0.0 159312.8 0.0 0.0 159312.8 -1 11958 433.2591804420626 37.860985 0.0 0.0 135382.19 0.0 0.0 135382.19 0.0 0.0 135382.19 26 11958.0 NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- 11985 549.2833612785826 37.928307 319159.1 0.0 712644.7 319159.1 0.0 712644.7 319159.1 0.0 712644.7 -1 11986 559.3115124509413 37.928307 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 42 11986.0 Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV 11988 591.3870639236575 37.90055 0.0 0.0 155647.14 0.0 0.0 155647.14 0.0 0.0 155647.14 46 12011 540.3318310505799 38.007168 0.0 105371.945 0.0 0.0 105371.945 0.0 0.0 105371.945 0.0 19 12011.0 Massbank:PR309158 LPC 18:2 12039 699.3813100971544 38.017475 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 9 12039.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV 12043 653.3741365649333 38.020172 806210.5 0.0 713405.56 806210.5 0.0 713405.56 806210.5 0.0 713405.56 9 12044 689.3510119526898 38.020172 482261.4 0.0 551823.2 482261.4 0.0 551823.2 482261.4 0.0 551823.2 -1 12065 255.19656471702723 38.048782 0.0 71808.23 0.0 0.0 71808.23 0.0 0.0 71808.23 0.0 -1 12075 285.2071022004708 38.048782 0.0 166742.45 0.0 0.0 166742.45 0.0 0.0 166742.45 0.0 -1 12076 315.25322685248136 38.057922 336684.5 164391.02 0.0 336684.5 164391.02 0.0 336684.5 164391.02 0.0 -1 12121 293.19495058185345 38.129566 0.0 65137.66 0.0 0.0 65137.66 0.0 0.0 65137.66 0.0 -1 12121.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate 12123 293.2106111514739 38.13247 2913366.8 0.0 2235727.2 2913366.8 0.0 2235727.2 2913366.8 0.0 2235727.2 -1 12133 609.4099114740752 38.144867 104321.23 0.0 0.0 104321.23 0.0 0.0 104321.23 0.0 0.0 -1 12144 460.3272125181774 38.1733 0.0 45880.926 0.0 0.0 45880.926 0.0 0.0 45880.926 0.0 -1 12146 361.19852419596873 38.151592 279080.56 0.0 175782.67 279080.56 0.0 175782.67 279080.56 0.0 175782.67 -1 12155 591.3888448573481 38.158318 0.0 0.0 227817.75 0.0 0.0 227817.75 0.0 0.0 227817.75 46 12169 417.299698431966 38.18305 323909.94 0.0 0.0 323909.94 0.0 0.0 323909.94 0.0 0.0 -1 12169.0 18b-glycyrrhetinic acid 12193 313.2369440719092 38.218266 0.0 50123.19 0.0 0.0 50123.19 0.0 0.0 50123.19 0.0 -1 12229 530.3014612299772 38.291218 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 19 12229.0 PE(16:0/18:0); [M-H]- C39H77N1O8P1 12230 540.3297335507594 38.291218 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 19 12230.0 PE(16:0/18:0); [M-H]- C39H77N1O8P1 12232 608.3175476075553 38.299065 140602.55 127078.77 0.0 140602.55 127078.77 0.0 140602.55 127078.77 0.0 35 12232.0 Ser-bMCA 12310 679.3911091748953 38.422447 249403.22 0.0 283828.6 249403.22 0.0 283828.6 249403.22 0.0 283828.6 9 12312 725.3964169065707 38.422447 253944.53 0.0 290120.25 253944.53 0.0 290120.25 253944.53 0.0 290120.25 9 12312.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV 12352 293.2105897989631 38.507 0.0 0.0 152434.94 0.0 0.0 152434.94 0.0 0.0 152434.94 -1 12366 271.2266928021555 38.516758 0.0 59334.156 158902.45 0.0 59334.156 158902.45 0.0 59334.156 158902.45 -1 12371 405.2742490754071 38.5303 213982.47 0.0 0.0 213982.47 0.0 0.0 213982.47 0.0 0.0 -1 12437 311.2221957574548 38.6263 0.0 0.0 360223.1 0.0 0.0 360223.1 0.0 0.0 360223.1 -1 12451 329.1883705116985 38.64685 745921.9 0.0 0.0 745921.9 0.0 0.0 745921.9 0.0 0.0 -1 12452 293.21051076878825 38.64685 189404.11 0.0 0.0 189404.11 0.0 0.0 189404.11 0.0 0.0 -1 12469 577.2692343702805 38.66355 0.0 0.0 146167.11 0.0 0.0 146167.11 0.0 0.0 146167.11 -1 12479 687.5747741941291 38.66655 0.0 37405.844 0.0 0.0 37405.844 0.0 0.0 37405.844 0.0 -1 12490 556.3192741726383 38.700565 0.0 0.0 85989.445 0.0 0.0 85989.445 0.0 0.0 85989.445 19 12491 566.3462074536867 38.692215 446288.94 0.0 775254.06 446288.94 0.0 775254.06 446288.94 0.0 775254.06 19 12491.0 PE(18:1/20:1); [M-H]- C43H81N1O8P1 12517 579.3380710887553 38.761234 101208.61 0.0 0.0 101208.61 0.0 0.0 101208.61 0.0 0.0 -1 12611 295.226760510906 38.8217 2012773.0 142706.33 1284677.1 2012773.0 142706.33 1284677.1 2012773.0 142706.33 1284677.1 -1 12612 363.2150485277996 38.80985 232440.14 0.0 108146.11 232440.14 0.0 108146.11 232440.14 0.0 108146.11 -1 12619 221.15326069143487 38.8454 0.0 67019.87 0.0 0.0 67019.87 0.0 0.0 67019.87 0.0 -1 12639 479.27915340594046 38.887985 0.0 47719.76 0.0 0.0 47719.76 0.0 0.0 47719.76 0.0 -1 12641 551.3008911906898 38.84989 106988.98 0.0 106982.125 106988.98 0.0 106982.125 106988.98 0.0 106982.125 -1 12642 561.3276408489139 38.84989 283241.72 0.0 196422.56 283241.72 0.0 196422.56 283241.72 0.0 196422.56 42 12642.0 Massbank:PR309156 MGMG 16:3 12707 353.194620032906 38.959316 126210.34 0.0 0.0 126210.34 0.0 0.0 126210.34 0.0 0.0 -1 12738 856.6494321518561 38.983868 0.0 28854.562 0.0 0.0 28854.562 0.0 0.0 28854.562 0.0 -1 12744 967.562497009284 39.010483 108727.01 0.0 124719.82 108727.01 0.0 124719.82 108727.01 0.0 124719.82 -1 12780 579.3382284272018 39.04188 116199.42 0.0 0.0 116199.42 0.0 0.0 116199.42 0.0 0.0 -1 12810 633.3382644347303 39.0771 0.0 57378.625 0.0 0.0 57378.625 0.0 0.0 57378.625 0.0 4 12820 495.2531291803164 39.098415 0.0 0.0 348785.3 0.0 0.0 348785.3 0.0 0.0 348785.3 26 12820.0 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate 12834 243.1956513133338 39.100513 293255.97 107564.89 155488.67 293255.97 107564.89 155488.67 293255.97 107564.89 155488.67 -1 12843 297.2426690290107 39.13695 0.0 0.0 134039.77 0.0 0.0 134039.77 0.0 0.0 134039.77 -1 12845 879.4957458238846 39.121483 128723.36 0.0 0.0 128723.36 0.0 0.0 128723.36 0.0 0.0 -1 12863 293.21061247495345 39.160885 174510.98 0.0 0.0 174510.98 0.0 0.0 174510.98 0.0 0.0 -1 12863.0 6-Gingerol 12873 565.3498727837602 39.164165 0.0 197404.23 0.0 0.0 197404.23 0.0 0.0 197404.23 0.0 4 12883 577.2691371388241 39.176716 0.0 0.0 165629.89 0.0 0.0 165629.89 0.0 0.0 165629.89 -1 12922 497.3626674769655 39.21116 0.0 464023.84 434784.9 0.0 464023.84 434784.9 0.0 464023.84 434784.9 -1 12926 401.2193125736822 39.217117 0.0 0.0 81781.96 0.0 0.0 81781.96 0.0 0.0 81781.96 -1 12952 707.4565493984873 39.241318 108790.99 0.0 0.0 108790.99 0.0 0.0 108790.99 0.0 0.0 -1 12997 565.3507573450827 39.298115 0.0 0.0 156614.81 0.0 0.0 156614.81 0.0 0.0 156614.81 4 12997.0 Ala-aMCA 13012 293.2109766977711 39.31186 314964.72 0.0 178800.1 314964.72 0.0 178800.1 314964.72 0.0 178800.1 -1 13015 942.6991293121893 39.330635 0.0 82241.01 0.0 0.0 82241.01 0.0 0.0 82241.01 0.0 -1 13023 311.22182511911444 39.330635 0.0 90704.6 0.0 0.0 90704.6 0.0 0.0 90704.6 0.0 -1 13034 507.29625923866337 39.33605 0.0 0.0 1036651.44 0.0 0.0 1036651.44 0.0 0.0 1036651.44 46 13034.0 NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid 13088 297.2425855999237 39.41601 147718.97 120356.66 57683.668 147718.97 120356.66 57683.668 147718.97 120356.66 57683.668 -1 13103 687.5757606016472 39.455433 0.0 64685.508 0.0 0.0 64685.508 0.0 0.0 64685.508 0.0 -1 13111 479.2796395635757 39.453083 79658.27 0.0 0.0 79658.27 0.0 0.0 79658.27 0.0 0.0 -1 13116 407.2909446172041 39.453083 106365.945 0.0 0.0 106365.945 0.0 0.0 106365.945 0.0 0.0 -1 13116.0 ALPHA-N-ACETYL-GLUTAMINE 13152 527.2880417088691 39.51908 463420.44 0.0 272070.97 463420.44 0.0 272070.97 463420.44 0.0 272070.97 -1 13152.0 (2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 13157 456.2546584885868 39.532333 131755.66 0.0 0.0 131755.66 0.0 0.0 131755.66 0.0 0.0 -1 13158 466.2824115099664 39.532333 234855.58 0.0 0.0 234855.58 0.0 0.0 234855.58 0.0 0.0 -1 13160 595.276145494463 39.532333 115973.305 0.0 0.0 115973.305 0.0 0.0 115973.305 0.0 0.0 -1 13163 331.2035990189308 39.532333 80550.27 0.0 0.0 80550.27 0.0 0.0 80550.27 0.0 0.0 -1 13165 428.3021160562859 39.543266 0.0 78201.98 0.0 0.0 78201.98 0.0 0.0 78201.98 0.0 -1 13224 362.2689146393427 39.609417 90340.93 0.0 0.0 90340.93 0.0 0.0 90340.93 0.0 0.0 -1 13234 577.2698914748072 39.62615 0.0 0.0 156336.52 0.0 0.0 156336.52 0.0 0.0 156336.52 -1 13260 297.2431529974872 39.627205 0.0 1086498.6 210715.31 0.0 1086498.6 210715.31 0.0 1086498.6 210715.31 -1 13261 365.2310290481379 39.639366 78180.88 137606.06 0.0 78180.88 137606.06 0.0 78180.88 137606.06 0.0 -1 13264 433.2200719770767 39.628265 0.0 68291.56 0.0 0.0 68291.56 0.0 0.0 68291.56 0.0 -1 13330 617.3856825623724 39.7063 0.0 0.0 129192.81 0.0 0.0 129192.81 0.0 0.0 129192.81 -1 13330.0 Massbank:PR309357 Coumaroyl Hexoside (isomer of 691, 692) 13343 293.20995681240186 39.73225 160776.1 0.0 0.0 160776.1 0.0 0.0 160776.1 0.0 0.0 -1 13361 537.3275877187647 39.74565 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 42 13361.0 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid 13368 687.5775288750147 39.7592 0.0 80026.17 0.0 0.0 80026.17 0.0 0.0 80026.17 0.0 -1 13374 823.4700804957992 39.77106 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 -1 13386 323.22179611528946 39.80142 0.0 81582.24 0.0 0.0 81582.24 0.0 0.0 81582.24 0.0 -1 13386.0 18b-glycyrrhetinic acid 13396 243.1958110991209 39.810417 178442.86 0.0 0.0 178442.86 0.0 0.0 178442.86 0.0 0.0 -1 13396.0 16-hydroxypalmitic acid 13401 426.2852359925779 39.85005 173045.39 0.0 0.0 173045.39 0.0 0.0 173045.39 0.0 0.0 -1 13419 410.3262256053663 39.8878 0.0 40898.047 0.0 0.0 40898.047 0.0 0.0 40898.047 0.0 -1 13419.0 Ile/Leu-CDCA 13425 406.2619699419129 39.8893 157783.8 0.0 0.0 157783.8 0.0 0.0 157783.8 0.0 0.0 -1 13447 967.7430740680832 39.9026 0.0 0.0 84330.78 0.0 0.0 84330.78 0.0 0.0 84330.78 -1 13460 269.2111277043415 39.936382 0.0 30287.016 0.0 0.0 30287.016 0.0 0.0 30287.016 0.0 -1 13461 727.4143101002873 39.93589 132147.14 0.0 138396.56 132147.14 0.0 138396.56 132147.14 0.0 138396.56 9 13461.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV 13466 479.27978047315946 39.98515 0.0 82554.055 0.0 0.0 82554.055 0.0 0.0 82554.055 0.0 -1 13496 397.3328848936912 39.981316 0.0 0.0 234848.03 0.0 0.0 234848.03 0.0 0.0 234848.03 -1 13500 570.5102404413517 39.981316 0.0 0.0 221591.17 0.0 0.0 221591.17 0.0 0.0 221591.17 -1 13501 606.4865204590109 39.981316 0.0 0.0 239481.72 0.0 0.0 239481.72 0.0 0.0 239481.72 -1 nf_output/networking/network_singletons.graphml0000644000000000000000000331441314704542653021323 0ustar rootroot 0.0 42869.137 0.0 0.0 42869.137 0.0 0.0 42869.137 0.0 269.0453 26.65 26.65 0 43 Apigenin 40eV Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 0.0 0.0 343728.75 0.0 0.0 343728.75 0.0 0.0 343728.75 742.1421 18.97 18.97 0 2 0.0 0.0 599247.06 0.0 0.0 599247.06 0.0 0.0 599247.06 395.0503 17.65 17.65 0 2 Massbank:PR305759 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 174447.6 517818.44 0.0 174447.6 517818.44 0.0 174447.6 517818.44 311.0755 4.66 4.66 0 45 2-HBA O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+ 0.0 0.0 129182.44 0.0 0.0 129182.44 0.0 0.0 129182.44 391.1027 12.53 12.53 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 236103.17 1842186.1 0.0 269.045 32.3 32.3 0 43 Apigenin 40eV Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N 0.0 0.0 513702.38 0.0 0.0 513702.38 0.0 0.0 513702.38 537.0808 33.6 33.6 0 56 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H 0.0 0.0 89156.38 0.0 0.0 89156.38 0.0 0.0 89156.38 737.1117 24.96 24.96 0 44 0.0 0.0 444426.75 0.0 0.0 444426.75 0.0 0.0 444426.75 673.3218 35.2 35.2 0 52 Griseofulvin COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 0.0 0.0 38590.633 0.0 0.0 38590.633 0.0 0.0 38590.633 371.0769 29.56 29.56 0 11 Massbank:PR307093 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 208638.25 0.0 0.0 208638.25 0.0 0.0 208638.25 343.0838 24.01 24.01 0 2 Massbank:PR305746 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 7913136.5 0.0 0.0 7913136.5 0.0 0.0 7913136.5 0.0 0.0 593.1487 8.25 8.25 0 1 Massbank:PR306110 Kaempferol-3-O-rhamnoside CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3 0.0 50054.945 0.0 0.0 50054.945 0.0 0.0 50054.945 0.0 160.039 12.02 12.02 0 27 4-QUINOLINECARBOXYLIC ACID C1=CC2=C(C=C1)N=CC=C2C(=O)O "InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)" 0.0 32427.988 0.0 0.0 32427.988 0.0 0.0 32427.988 0.0 397.1137 21.95 21.95 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 265176.2 0.0 0.0 265176.2 0.0 0.0 265176.2 0.0 0.0 707.1837 3.2 3.2 0 1 Massbank:FIO00935 Cynarine Oc(c1)c(O)cc(C=CC(=O)O[C@@H]([C@@H](O)2)C[C@@](OC(=O)C=Cc(c3)cc(O)c(O)c3)(C(O)=O)C[C@@H](O)2)c1 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 74808.34 0.0 0.0 74808.34 0.0 0.0 74808.34 0.0 0.0 357.059 18.44 18.44 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 149468.47 0.0 0.0 149468.47 0.0 0.0 149468.47 661.1354 15.0 15.0 0 4 Massbank:PR305598 Kaempferol-3-O-robinoside-7-O-rhamnoside CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 0.0 0.0 2930206.0 0.0 0.0 2930206.0 0.0 0.0 2930206.0 339.1313 2.08 2.08 0 41 ReSpect:PT205430 D-Sorbitol|D-Sorbit|D-Glucitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbol|Cystosol|Glucarine|Diakarmon|Esasorb|Sorbol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol C(C(C(C(C(CO)O)O)O)O)O 1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 177.0767 2.13 2.13 0 47 Nimodipine nan nan 140602.55 127078.77 0.0 140602.55 127078.77 0.0 140602.55 127078.77 0.0 608.3175 38.3 38.3 0 35 Ser-bMCA C[C@H](CCC(N[C@H](C(O)=O)CO)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO7/c1-14(4-7-21(31)28-20(13-29)25(34)35)16-5-6-17-22-18(9-11-26(16,17)2)27(3)10-8-15(30)12-19(27)23(32)24(22)33/h14-20,22-24,29-30,32-33H,4-13H2,1-3H3,(H,28,31)(H,34,35)/t14-,15-,16-,17+,18+,19+,20?,22+,23+,24-,26-,27-/m1/s1 0.0 0.0 208762.39 0.0 0.0 208762.39 0.0 0.0 208762.39 564.3284 37.38 37.38 0 19 Massbank:PR309158 LPC 18:2 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 0.0 613433.4 0.0 0.0 613433.4 0.0 0.0 613433.4 0.0 395.0517 18.79 18.79 0 2 Massbank:PR305746 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 218594.56 0.0 0.0 218594.56 0.0 0.0 218594.56 0.0 0.0 290.0894 2.55 2.55 0 10 Massbank:PR309145 N-Fructosyl isoleucine O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) 0.0 0.0 91059.09 0.0 0.0 91059.09 0.0 0.0 91059.09 179.0334 17.88 17.88 0 11 PYROCATECHUIC ACID O=C(O)c1cccc(O)c1O InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) 46787.605 0.0 0.0 46787.605 0.0 0.0 46787.605 0.0 0.0 635.1102 14.34 14.34 0 1 baicalin O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 918565.94 0.0 568990.56 918565.94 0.0 568990.56 918565.94 0.0 568990.56 351.0737 2.96 2.96 0 1 Spectral Match to Chlorogenic acid from NIST14 nan nan 549641.3 308965.2 0.0 549641.3 308965.2 0.0 549641.3 308965.2 0.0 137.022 3.91 3.91 0 40 10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione O=C1OC2=CC=C3C(=O)CC4(OC3=C2C(C5=CC=C(OCC6=NC=CN6C)C(OC)=C5)C1)CCCCC4 InChI=1S/C29H30N2O6/c1-31-13-12-30-25(31)17-35-22-8-6-18(14-24(22)34-2)20-15-26(33)36-23-9-7-19-21(32)16-29(10-4-3-5-11-29)37-28(19)27(20)23/h6-9,12-14,20H,3-5,10-11,15-17H2,1-2H3 0.0 0.0 348785.3 0.0 0.0 348785.3 0.0 0.0 348785.3 495.2531 39.1 39.1 0 26 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 0.0 0.0 1480046.6 0.0 0.0 1480046.6 0.0 0.0 1480046.6 177.0763 1.61 1.61 0 47 Erythritol - 30.0 eV C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 746714.8 0.0 0.0 746714.8 0.0 0.0 746714.8 0.0 0.0 609.1438 6.54 6.54 0 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 122736.52 147341.64 78072.56 361.1638 35.65 35.65 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 0.0 55495.53 0.0 0.0 55495.53 0.0 0.0 55495.53 549.0655 28.33 28.33 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 0.0 288780.47 0.0 0.0 288780.47 0.0 0.0 288780.47 0.0 671.1394 26.77 26.77 0 31 0.0 0.0 699221.5 0.0 0.0 699221.5 0.0 0.0 699221.5 193.0495 14.87 14.87 0 2 TAK-041 CC(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 "InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1" 0.0 48382.77 0.0 0.0 48382.77 0.0 0.0 48382.77 0.0 463.0886 20.14 20.14 0 1 Spectral Match to Cyanidin 3-galactoside cation from NIST14 nan nan 26328.768 0.0 0.0 26328.768 0.0 0.0 26328.768 0.0 0.0 607.1268 8.71 8.71 0 1 Massbank:PR306387 Quercetin-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 282371.38 0.0 0.0 282371.38 0.0 0.0 282371.38 0.0 0.0 613.1278 16.29 16.29 0 1 Apiin - 50eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 0.0 0.0 496106.62 0.0 0.0 496106.62 0.0 0.0 496106.62 799.2643 14.3 14.3 0 14 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 0.0 566099.44 0.0 0.0 566099.44 0.0 0.0 566099.44 0.0 715.1296 27.22 27.22 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 1159505.6 0.0 0.0 1159505.6 0.0 0.0 1159505.6 0.0 0.0 705.17 2.93 2.93 0 1 19870-46-3 O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1" 0.0 161711.17 343610.97 0.0 161711.17 343610.97 0.0 161711.17 343610.97 463.0873 12.24 12.24 0 1 Massbank:PR306741 Quercetin-3-O-xyloside OC1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O 1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2 0.0 784407.8 0.0 0.0 784407.8 0.0 0.0 784407.8 0.0 447.091 17.62 17.62 0 1 Massbank:PR305718 Luteolin-4'-O-glucoside OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 67087.2 0.0 0.0 67087.2 0.0 0.0 67087.2 0.0 0.0 661.1367 7.92 7.92 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 0.0 0.0 1962149.1 0.0 0.0 1962149.1 0.0 0.0 1962149.1 719.1637 18.9 18.9 0 2 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 130620.96 0.0 0.0 130620.96 0.0 0.0 130620.96 538.3127 37.1 37.1 0 19 0.0 614589.4 0.0 0.0 614589.4 0.0 0.0 614589.4 0.0 719.158 18.01 18.01 0 2 ROSMARINIC ACID O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+ 40797.88 0.0 0.0 40797.88 0.0 0.0 40797.88 0.0 0.0 591.1354 9.15 9.15 0 1 luteolin 4'-O-glucoside O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 132344.08 0.0 0.0 132344.08 0.0 0.0 132344.08 552.2857 36.81 36.81 0 19 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 1711382.2 0.0 4428036.0 353.0895 2.48 2.48 0 1 Chlorogenic Acid 0.0 0.0 1604559.2 0.0 0.0 1604559.2 0.0 0.0 1604559.2 493.1139 21.14 21.14 0 13 Lithospermic acid O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 133.015 1.91 1.91 0 34 L-threonic acid - 40.0 eV C([C@@H]([C@H](C(=O)O)O)O)O InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1 0.0 0.0 153136.88 0.0 0.0 153136.88 0.0 0.0 153136.88 713.1121 32.02 32.02 0 44 91326.516 0.0 0.0 91326.516 0.0 0.0 91326.516 0.0 0.0 651.1062 9.89 9.89 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 0.0 123054.84 0.0 0.0 123054.84 0.0 0.0 123054.84 809.2474 11.51 11.51 0 48 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 480764.62 0.0 1043567.5 562.3139 36.82 36.82 0 19 Massbank:PR309160 LPC 18:1 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 0.0 159871.86 0.0 0.0 159871.86 0.0 0.0 159871.86 0.0 489.0918 28.79 28.79 0 8 NCGC00385737-01_C46H74O17_ CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC8OCC(O)C(O)C8O InChI=1S/C46H74O17/c1-41(2)12-14-46(40(57)63-38-34(55)30(51)25(49)19-59-38)15-13-44(6)21(22(46)16-41)8-9-28-43(5)17-23(47)36(42(3,4)27(43)10-11-45(28,44)7)62-39-35(56)32(53)31(52)26(61-39)20-60-37-33(54)29(50)24(48)18-58-37/h8,22-39,47-56H,9-20H2,1-7H3 0.0 0.0 1394199.0 0.0 0.0 1394199.0 0.0 0.0 1394199.0 707.1844 2.81 2.81 0 1 19870-46-3 O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1" 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 0.0 1733938.9 4263027.5 551.1173 29.12 29.12 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 197013.31 0.0 0.0 197013.31 0.0 0.0 197013.31 0.0 0.0 896.1926 10.73 10.73 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 104430.98 0.0 112695.32 104430.98 0.0 112695.32 104430.98 0.0 112695.32 291.1956 37.31 37.31 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 0.0 1271753.6 3694576.5 593.1491 15.01 15.01 0 1 Massbank:PR306636 Kaempferol-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 0.0 0.0 364405.25 0.0 0.0 364405.25 0.0 0.0 364405.25 715.1306 25.04 25.04 0 44 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2 112123.73 0.0 0.0 112123.73 0.0 0.0 112123.73 0.0 0.0 505.0496 11.68 11.68 0 1 Massbank:PR305600 Luteolin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 52030.215 0.0 0.0 52030.215 0.0 0.0 52030.215 0.0 0.0 548.3398 31.65 31.65 0 41 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1 160490.83 0.0 0.0 160490.83 0.0 0.0 160490.83 0.0 0.0 643.1386 17.36 17.36 0 1 Diosmin - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 0.0 74566.1 0.0 0.0 74566.1 0.0 0.0 74566.1 0.0 369.1444 10.83 10.83 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 0.0 0.0 80917.35 0.0 0.0 80917.35 0.0 0.0 80917.35 177.0566 23.43 23.43 0 2 methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate COC(=O)C1c2c(oc3cc(CO)cc(O)c3c2=O)C=CC1O InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3 0.0 3554855.2 0.0 0.0 3554855.2 0.0 0.0 3554855.2 0.0 491.0967 27.99 27.99 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 105477.14 0.0 0.0 105477.14 0.0 0.0 105477.14 695.216 30.86 30.86 0 58 0.0 0.0 297543.75 0.0 0.0 297543.75 0.0 0.0 297543.75 755.2393 8.2 8.2 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 278937.28 0.0 0.0 278937.28 0.0 0.0 278937.28 0.0 0.0 337.0921 5.62 5.62 0 1 Chlorogenic acid - 40.0 eV c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 118593.92 0.0 0.0 118593.92 0.0 0.0 118593.92 0.0 353.1502 12.47 12.47 0 11 Massbank:PR306071 Sakuranetin COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1 1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 0.0 629051.56 0.0 0.0 629051.56 0.0 0.0 629051.56 0.0 593.1507 14.63 14.63 0 1 Massbank:PR306636 Kaempferol-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 225955.48 0.0 0.0 225955.48 0.0 0.0 225955.48 0.0 0.0 643.1385 17.72 17.72 0 1 Massbank:PR306337 Diosmetin-7-O-neohesperidoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 0.0 0.0 273758.78 0.0 0.0 273758.78 0.0 0.0 273758.78 491.0995 21.7 21.7 0 13 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid O=C(/C=C/c1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+ 0.0 201246.34 0.0 0.0 201246.34 0.0 0.0 201246.34 0.0 369.1448 12.02 12.02 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 85313.43 0.0 0.0 85313.43 0.0 0.0 85313.43 0.0 0.0 515.0784 10.68 10.68 0 1 afzelin C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 0.0 500005.84 0.0 0.0 500005.84 0.0 0.0 500005.84 0.0 395.0525 17.86 17.86 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 41979.67 0.0 0.0 41979.67 0.0 0.0 41979.67 0.0 625.1353 26.69 26.69 0 31 0.0 0.0 366384.66 0.0 0.0 366384.66 0.0 0.0 366384.66 641.1654 36.57 36.57 0 29 13920.6 0.0 0.0 13920.6 0.0 0.0 13920.6 0.0 0.0 255.8217 0.86 0.86 0 6 123006.94 0.0 0.0 123006.94 0.0 0.0 123006.94 0.0 0.0 351.0758 3.55 3.55 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 221021.77 0.0 0.0 221021.77 0.0 0.0 221021.77 0.0 0.0 313.0697 31.86 31.86 0 2 Isofraxidin O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 0.0 175652.3 0.0 0.0 175652.3 0.0 0.0 175652.3 0.0 582.3412 35.45 35.45 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 130729.06 164369.38 0.0 130729.06 164369.38 0.0 130729.06 164369.38 740.1295 26.74 26.74 0 3 0.0 162742.52 0.0 0.0 162742.52 0.0 0.0 162742.52 0.0 711.0986 27.49 27.49 0 31 Salvianolic acid B O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 105950.23 1695562.6 0.0 507.0921 30.77 30.77 0 15 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 103480.336 0.0 0.0 103480.336 0.0 0.0 103480.336 0.0 0.0 651.1066 8.21 8.21 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 1918214.2 0.0 0.0 1918214.2 0.0 0.0 1918214.2 0.0 983.2024 28.51 28.51 0 8 147701.1 0.0 0.0 147701.1 0.0 0.0 147701.1 0.0 0.0 313.1171 13.33 13.33 0 12 688745.1 0.0 696354.25 688745.1 0.0 696354.25 688745.1 0.0 696354.25 411.1325 4.7 4.7 0 17 ellipticine N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 143141.16 0.0 0.0 143141.16 0.0 0.0 143141.16 0.0 0.0 313.0697 18.36 18.36 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 149354.44 100317.05 161222.55 530.3015 38.29 38.29 0 19 PE(16:0/18:0); [M-H]- C39H77N1O8P1 nan nan 0.0 125891.77 123167.414 0.0 125891.77 123167.414 0.0 125891.77 123167.414 701.1493 30.57 30.57 0 31 855743.94 0.0 505746.7 855743.94 0.0 505746.7 855743.94 0.0 505746.7 411.1323 5.31 5.31 0 17 ellipticine N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 0.0 0.0 141916.39 0.0 0.0 141916.39 0.0 0.0 141916.39 669.1212 27.46 27.46 0 31 Salvianolic acid B C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48) 0.0 95925.48 0.0 0.0 95925.48 0.0 0.0 95925.48 0.0 309.0397 15.23 15.23 0 24 KS IV O=C(O)c1cc(-c2cc(O)c(O)cc2)c2cc(O)c(O)cc2c1 InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) 0.0 0.0 280827.12 0.0 0.0 280827.12 0.0 0.0 280827.12 623.1635 22.96 22.96 0 1 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 67137.4 101950.09 0.0 67137.4 101950.09 0.0 67137.4 101950.09 0.0 487.0655 9.61 9.61 0 8 88144.58 0.0 0.0 88144.58 0.0 0.0 88144.58 0.0 0.0 363.1461 5.5 5.5 0 11 Methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 0.0 251780.0 98451.22 0.0 251780.0 98451.22 0.0 251780.0 98451.22 369.1444 12.16 12.16 0 11 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 0.0 0.0 67304.93 0.0 0.0 67304.93 0.0 0.0 67304.93 381.0587 19.05 19.05 0 18 Neochlorogenic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 0.0 33000.332 0.0 0.0 33000.332 0.0 0.0 33000.332 0.0 181.0122 10.13 10.13 0 39 4-HYDROXYBENZOATE OC(=O)C1=CC=C(O)C=C1 "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" 1504402.2 0.0 0.0 1504402.2 0.0 0.0 1504402.2 0.0 0.0 577.1522 14.89 14.89 0 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 76888.14 0.0 0.0 76888.14 0.0 0.0 76888.14 0.0 0.0 635.1104 14.89 14.89 0 1 Ambocin O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1 0.0 0.0 152435.16 0.0 0.0 152435.16 0.0 0.0 152435.16 313.0677 17.8 17.8 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 84520.36 84354.375 0.0 84520.36 84354.375 0.0 84520.36 84354.375 0.0 335.0755 4.46 4.46 0 1 MEGxp0_001651 (Chimeric precursor selection) CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) 65439.844 0.0 100830.234 65439.844 0.0 100830.234 65439.844 0.0 100830.234 653.1508 22.55 22.55 0 8 NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5 InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 146468.48 0.0 0.0 146468.48 0.0 0.0 146468.48 151.039 13.24 13.24 0 11 4-HYDROXYBENZALDEHYDE C1=CC(=CC=C1C=O)O "InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H" 806210.5 0.0 713405.56 806210.5 0.0 713405.56 806210.5 0.0 713405.56 653.3741 38.02 38.02 0 9 2246697.5 0.0 0.0 2246697.5 0.0 0.0 2246697.5 0.0 0.0 707.1846 2.93 2.93 0 1 Chlorogenic Acid 95269.945 0.0 0.0 95269.945 0.0 0.0 95269.945 0.0 0.0 651.1063 8.57 8.57 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 134773.06 0.0 0.0 134773.06 0.0 0.0 134773.06 0.0 513.0789 28.63 28.63 0 8 0.0 0.0 227817.75 0.0 0.0 227817.75 0.0 0.0 227817.75 591.3888 38.16 38.16 0 46 732162.8 0.0 0.0 732162.8 0.0 0.0 732162.8 0.0 0.0 613.1291 14.89 14.89 0 1 Apiin - 40eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 0.0 91651.7 9258036.0 609.1434 10.07 10.07 0 1 Massbank:FIO00586 Quercitrin Oc(c4)c(O)cc(c4)C(O1)=C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)C(=O)c(c(O)2)c(cc(O)c2)1 1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 0.0 0.0 399765.34 0.0 0.0 399765.34 0.0 0.0 399765.34 739.1258 26.67 26.67 0 3 0.0 0.0 78662.81 0.0 0.0 78662.81 0.0 0.0 78662.81 711.0906 27.34 27.34 0 31 0.0 0.0 161927.45 0.0 0.0 161927.45 0.0 0.0 161927.45 850.1667 29.26 29.26 0 25 0.0 300727.94 59964.21 0.0 300727.94 59964.21 0.0 300727.94 59964.21 137.0236 14.76 14.76 0 39 1-Hydroxy-2-naphthoic acid O=C(O)c1ccc2ccccc2c1O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) 0.0 0.0 1574660.8 0.0 0.0 1574660.8 0.0 0.0 1574660.8 665.1696 30.04 30.04 0 1 Massbank:PR306224 Diosmetin-7-O-rutinoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 0.0 317891.44 0.0 0.0 317891.44 0.0 0.0 317891.44 0.0 467.073 16.94 16.94 0 1 0.0 0.0 523765.38 0.0 0.0 523765.38 0.0 0.0 523765.38 983.2819 20.5 20.5 0 57 93606.766 0.0 0.0 93606.766 0.0 0.0 93606.766 0.0 0.0 651.1094 7.92 7.92 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 283241.72 0.0 196422.56 283241.72 0.0 196422.56 283241.72 0.0 196422.56 561.3276 38.85 38.85 0 42 Massbank:PR309156 MGMG 16:3 O=C(OC(CO)COC1OC(CO)C(O)C(O)C1(O))CCCCCC=CCC=CCC=CCC 1S/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)33-19(16-26)18-32-25-24(31)23(30)22(29)20(17-27)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3 0.0 0.0 261279.67 0.0 0.0 261279.67 0.0 0.0 261279.67 549.2544 8.89 8.89 0 41 2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid CC/C=C\\CC1C(CC(=O)O)CCC1OC1OC(CO)C(O)C(O)C1O InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3- 228790.38 0.0 268885.25 228790.38 0.0 268885.25 228790.38 0.0 268885.25 723.379 37.39 37.39 0 9 158356.72 0.0 323992.28 158356.72 0.0 323992.28 158356.72 0.0 323992.28 489.0811 28.47 28.47 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 6416617.0 0.0 0.0 6416617.0 0.0 0.0 6416617.0 0.0 0.0 607.1609 16.41 16.41 0 1 Massbank:PR306260 Diosmetin-7-O-rutinoside COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 0.0 70429.516 0.0 0.0 70429.516 0.0 0.0 70429.516 0.0 737.1121 26.5 26.5 0 3 0.0 362993.53 0.0 0.0 362993.53 0.0 0.0 362993.53 0.0 983.202 27.87 27.87 0 8 70948.99 0.0 0.0 70948.99 0.0 0.0 70948.99 0.0 0.0 313.1165 12.5 12.5 0 12 0.0 0.0 81654.49 0.0 0.0 81654.49 0.0 0.0 81654.49 391.1029 11.01 11.01 0 2 ROSMARINIC ACID C1=C(/C=C/C(=O)O[C@H](CC2=CC=C(C(=C2)O)O)C(=O)O)C=C(C(=C1)O)O "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1" 0.0 0.0 642268.9 0.0 0.0 642268.9 0.0 0.0 642268.9 395.0534 18.97 18.97 0 2 Rosmarinic acid C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O DOUMFZQKYFQNTF-WUTVXBCWSA-N 1398300.5 0.0 0.0 1398300.5 0.0 0.0 1398300.5 0.0 0.0 609.1447 7.38 7.38 0 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 345708.1 174612.05 0.0 345708.1 174612.05 0.0 345708.1 174612.05 0.0 699.2249 1.82 1.82 0 32 1-hydroxyanthraquinone O=C1c2ccccc2C(=O)c2c(O)cccc21 InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H 477237.0 0.0 0.0 477237.0 0.0 0.0 477237.0 0.0 0.0 337.0916 3.99 3.99 0 1 3-O-Feruloylquinic acid COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 125718.25 0.0 119166.484 125718.25 0.0 119166.484 125718.25 0.0 119166.484 322.2004 34.1 34.1 0 10 N-ACETYL-L-LEUCINE O=C(N[C@H](C(=O)O)CC(C)C)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 3875673.8 0.0 0.0 3875673.8 0.0 0.0 3875673.8 0.0 0.0 290.0892 1.66 1.66 0 10 Massbank:PR308174 Indole-3-acetyl-L-leucine CC(C)CC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O 1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21) 0.0 0.0 128537.33 0.0 0.0 128537.33 0.0 0.0 128537.33 667.1027 10.27 10.27 0 1 Massbank:PR307512 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O 1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3 0.0 0.0 155647.14 0.0 0.0 155647.14 0.0 0.0 155647.14 591.3871 37.9 37.9 0 46 0.0 0.0 48876.906 0.0 0.0 48876.906 0.0 0.0 48876.906 549.0801 28.62 28.62 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 0.0 205797.17 222129.42 0.0 205797.17 222129.42 0.0 205797.17 222129.42 672.142 27.35 27.35 0 31 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 4219254.5 6572934.0 13343304.0 359.0753 18.65 18.65 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 752659.75 0.0 0.0 752659.75 0.0 0.0 752659.75 0.0 0.0 397.1158 4.18 4.18 0 17 635906.6 0.0 0.0 635906.6 0.0 0.0 635906.6 0.0 0.0 577.152 16.33 16.33 0 1 Massbank:PR306341 Pelargonidin-3-O-glucoside OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 39343.836 0.0 151623.44 39343.836 0.0 151623.44 39343.836 0.0 151623.44 391.1018 12.2 12.2 0 2 Massbank:PR305759 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 197404.23 0.0 0.0 197404.23 0.0 0.0 197404.23 0.0 565.3499 39.16 39.16 0 4 0.0 0.0 373186.72 0.0 0.0 373186.72 0.0 0.0 373186.72 537.1031 8.77 8.77 0 23 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 398977.3 300599.25 1055037.8 409.0681 29.55 29.55 0 11 Massbank:PR307117 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 383726.72 0.0 0.0 383726.72 0.0 0.0 383726.72 537.0826 34.65 34.65 0 56 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H 0.0 819713.56 0.0 0.0 819713.56 0.0 0.0 819713.56 0.0 491.0972 28.86 28.86 0 8 Farrerol - 40eV Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3 0.0 0.0 128570.08 0.0 0.0 128570.08 0.0 0.0 128570.08 559.3121 37.7 37.7 0 42 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV nan nan 0.0 34142.1 0.0 0.0 34142.1 0.0 0.0 34142.1 0.0 255.8213 10.74 10.74 0 55 0.0 0.0 2044561.0 0.0 0.0 2044561.0 0.0 0.0 2044561.0 720.1689 18.64 18.64 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 74955.49 0.0 0.0 74955.49 0.0 0.0 74955.49 0.0 0.0 661.1341 8.8 8.8 0 4 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 60768.86 0.0 0.0 60768.86 0.0 0.0 60768.86 0.0 0.0 417.0318 18.44 18.44 0 11 NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=CC(OC2OC(CO)C(O)C(O)C2O)C1O InChI=1S/C21H26O12/c22-8-14-16(27)18(29)19(30)21(32-14)31-13-5-4-11(24)20(17(13)28)33-15(26)6-2-9-1-3-10(23)12(25)7-9/h1-7,11,13-14,16-25,27-30H,8H2/b6-2+ 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 537.3276 39.75 39.75 0 42 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid 79537.89 0.0 0.0 79537.89 0.0 0.0 79537.89 0.0 0.0 661.1347 8.25 8.25 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 0.0 334332.94 0.0 0.0 334332.94 0.0 0.0 334332.94 363.1468 6.08 6.08 0 22 28238.12 0.0 0.0 28238.12 0.0 0.0 28238.12 0.0 0.0 353.0265 28.82 28.82 0 4 luteolin 4'-O-glucoside O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 0.0 59193.926 0.0 0.0 59193.926 0.0 0.0 59193.926 0.0 366.1172 5.27 5.27 0 51 647845.3 0.0 0.0 647845.3 0.0 0.0 647845.3 0.0 0.0 896.1913 11.6 11.6 0 5 Luteolin-7,3'-di-O-glucoside - 40eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 10705708.0 0.0 0.0 10705708.0 0.0 0.0 10705708.0 0.0 0.0 593.1488 9.25 9.25 0 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 0.0 0.0 216543.88 0.0 0.0 216543.88 0.0 0.0 216543.88 579.1706 12.61 12.61 0 1 Massbank:PR306410 Naringenin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 0.0 106686.16 48846.72 0.0 106686.16 48846.72 0.0 106686.16 48846.72 653.1503 21.99 21.99 0 8 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3 0.0 0.0 133472.48 0.0 0.0 133472.48 0.0 0.0 133472.48 167.0339 6.36 6.36 0 11 ALPHA-ARBUTIN C1=C(C=CC(=C1)OC2C(C(C(C(CO)O2)O)O)O)O "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2" 133481.36 0.0 0.0 133481.36 0.0 0.0 133481.36 0.0 0.0 645.1385 14.89 14.89 0 1 Apiin O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 0.0 0.0 5197348.0 0.0 0.0 5197348.0 0.0 0.0 5197348.0 719.1651 18.64 18.64 0 2 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 663602.44 0.0 0.0 663602.44 0.0 0.0 663602.44 722.3669 36.57 36.57 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 0.0 0.0 144206.64 0.0 0.0 144206.64 0.0 0.0 144206.64 554.3014 37.62 37.62 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 307248.78 0.0 0.0 307248.78 0.0 0.0 307248.78 0.0 715.1309 26.53 26.53 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 165978.08 0.0 0.0 165978.08 0.0 0.0 165978.08 669.2902 35.61 35.61 0 52 Caffeic acid phenethyl ester O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ 0.0 0.0 94261.28 0.0 0.0 94261.28 0.0 0.0 94261.28 347.1509 11.22 11.22 0 59 0.0 0.0 1275341.4 0.0 0.0 1275341.4 0.0 0.0 1275341.4 651.1564 20.08 20.08 0 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 93890.805 71909.02 245348.36 205.0494 30.09 30.09 0 2 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 50eV COc1ccc(cc1O)/C=C/C(=O)O InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ 0.0 58889.9 0.0 0.0 58889.9 0.0 0.0 58889.9 0.0 549.0648 28.2 28.2 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 354151.94 0.0 0.0 354151.94 0.0 0.0 354151.94 0.0 0.0 483.0674 11.6 11.6 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 39903.312 0.0 0.0 39903.312 0.0 0.0 39903.312 0.0 0.0 653.1081 8.48 8.48 0 1 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 285016.75 297501.6 1410004.2 193.0492 15.42 15.42 0 2 Isofraxidin O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 0.0 77829.734 0.0 0.0 77829.734 0.0 0.0 77829.734 0.0 305.105 12.33 12.33 0 16 12-Hydroxyjasmonate sulfate 0.0 0.0 135382.19 0.0 0.0 135382.19 0.0 0.0 135382.19 433.2592 37.86 37.86 0 26 NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@H](CO)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C=C4)O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C42H54O23/c1-18-28(50)30(52)32(54)39(57-18)62-35-19(2)58-40(33(55)31(35)53)63-37-34(56)41(59-25(16-44)36(37)60-26(48)13-7-20-3-9-22(46)10-4-20)65-42(17-45)38(29(51)24(15-43)64-42)61-27(49)14-8-21-5-11-23(47)12-6-21/h3-14,18-19,24-25,28-41,43-47,50-56H,15-17H2,1-2H3/b13-7+,14-8+/t18-,19-,24+,25+,28-,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42-/m0/s1 115020.63 0.0 0.0 115020.63 0.0 0.0 115020.63 0.0 0.0 515.0772 11.6 11.6 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 121898.23 0.0 832670.8 121898.23 0.0 832670.8 121898.23 0.0 832670.8 272.9577 1.15 1.15 0 38 (S)-MALATE OC(=O)C[C@@H](C(=O)O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 295337.5 0.0 0.0 295337.5 0.0 0.0 295337.5 0.0 0.0 351.0745 3.2 3.2 0 1 Chlorogenic acid - 40.0 eV c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 4440406.0 0.0 0.0 4440406.0 0.0 0.0 4440406.0 0.0 0.0 447.0903 11.6 11.6 0 1 Massbank:PR305576 Luteolin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 442167.9 0.0 0.0 442167.9 0.0 0.0 442167.9 0.0 0.0 385.1161 2.47 2.47 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 0.0 107376.234 0.0 0.0 107376.234 0.0 0.0 107376.234 713.1135 16.24 16.24 0 30 2152123.8 0.0 0.0 2152123.8 0.0 0.0 2152123.8 0.0 0.0 278.1253 1.56 1.56 0 10 Massbank:PR303058 Petunidin-3-O-beta-glucoside COC1=CC(=CC(O)=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1 1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 0.0 169170.9 0.0 0.0 169170.9 0.0 0.0 169170.9 0.0 850.1675 29.39 29.39 0 25 0.0 35845.08 0.0 0.0 35845.08 0.0 0.0 35845.08 0.0 305.1053 11.48 11.48 0 16 102149.46 57959.035 0.0 102149.46 57959.035 0.0 102149.46 57959.035 0.0 521.13 14.03 14.03 0 37 Isorhamnetin-3-O-b-D-Glucoside 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 1173343.2 833844.06 1567517.2 540.3297 38.29 38.29 0 19 PE(16:0/18:0); [M-H]- C39H77N1O8P1 nan nan 0.0 0.0 7956615.0 0.0 0.0 7956615.0 0.0 0.0 7956615.0 359.0766 18.9 18.9 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 142039.58 0.0 0.0 142039.58 0.0 0.0 142039.58 641.1656 36.36 36.36 0 29 1242482.5 0.0 0.0 1242482.5 0.0 0.0 1242482.5 0.0 0.0 367.1025 5.46 5.46 0 11 Methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 1600374.4 1811348.5 1414424.4 293.1748 35.65 35.65 0 20 4(RS)-ST-del5-8-NeuroF O[C@@H]1CC([C@H](/C=C/C(O)CCC(O)=O)O)O[C@H]1C/C=C\\C/C=C\\C/C=C\\CC InChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-10-11-20-19(25)16-21(28-20)18(24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17?,18-,19-,20+,21?/m0/s1 0.0 0.0 319570.34 0.0 0.0 319570.34 0.0 0.0 319570.34 477.2848 37.22 37.22 0 26 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 0.0 0.0 144866.48 0.0 0.0 144866.48 0.0 0.0 144866.48 677.1269 10.23 10.23 0 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 47845.664 74728.4 46007.42 487.0654 28.51 28.51 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 111441.17 0.0 0.0 111441.17 0.0 0.0 111441.17 895.1698 16.77 16.77 0 49 0.0 332061.06 109975.8 0.0 332061.06 109975.8 0.0 332061.06 109975.8 311.0553 15.24 15.24 0 24 0.0 204563.12 152142.8 0.0 204563.12 152142.8 0.0 204563.12 152142.8 731.1597 20.87 20.87 0 30 0.0 0.0 336474.72 0.0 0.0 336474.72 0.0 0.0 336474.72 551.1196 28.22 28.22 0 31 Monomethyl lithospermate COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ 543078.3 0.0 0.0 543078.3 0.0 0.0 543078.3 0.0 0.0 479.1224 2.28 2.28 0 1 Massbank:PR309013 Coumaroyl quinic acid (isomer of 758, 760) O=C(OC1CC(O)(C(=O)O)CC(O)C1(O))C=CC2=CC=C(O)C=C2 1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22) 0.0 193565.34 0.0 0.0 193565.34 0.0 0.0 193565.34 0.0 429.0703 1.76 1.76 0 32 0.0 61441.83 0.0 0.0 61441.83 0.0 0.0 61441.83 0.0 351.1354 35.66 35.66 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 41406.406 0.0 0.0 41406.406 0.0 0.0 41406.406 0.0 397.1123 20.36 20.36 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 877406.7 357707.06 1545041.4 373.0917 29.56 29.56 0 11 Massbank:PR307093 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 0.0 0.0 390783.38 0.0 0.0 390783.38 0.0 0.0 390783.38 681.168 20.98 20.98 0 1 Episyringaresinol 4'-O-beta-D-glncopyranoside OC1=C(OC)C=C(C=C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4 InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 0.0 154003.69 0.0 0.0 154003.69 0.0 0.0 154003.69 0.0 121.0289 5.42 5.42 0 11 1-HYDROXYPYRENE Oc1c2ccc3cccc4c3c2c(cc1)cc4 InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H 855532.2 0.0 0.0 855532.2 0.0 0.0 855532.2 0.0 0.0 675.3586 36.59 36.59 0 9 0.0 43709.8 0.0 0.0 43709.8 0.0 0.0 43709.8 0.0 305.1052 11.94 11.94 0 16 0.0 0.0 63389.27 0.0 0.0 63389.27 0.0 0.0 63389.27 417.0354 19.13 19.13 0 11 Caffeic acid phenethyl ester O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ 0.0 140687.19 0.0 0.0 140687.19 0.0 0.0 140687.19 0.0 473.1077 29.35 29.35 0 1 Massbank:PR306057 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 83730.85 0.0 0.0 83730.85 0.0 0.0 83730.85 615.1551 11.22 11.22 0 1 73379.35 292711.38 0.0 73379.35 292711.38 0.0 73379.35 292711.38 0.0 491.0965 9.66 9.66 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 364553.84 0.0 0.0 364553.84 0.0 0.0 364553.84 623.1963 9.75 9.75 0 2 Acteoside C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 0.0 85846.67 0.0 0.0 85846.67 0.0 0.0 85846.67 0.0 711.0989 26.45 26.45 0 31 0.0 445301.16 443681.72 0.0 445301.16 443681.72 0.0 445301.16 443681.72 739.1265 27.27 27.27 0 3 0.0 0.0 53788.613 0.0 0.0 53788.613 0.0 0.0 53788.613 675.1392 15.75 15.75 0 1 Kakkalide O=C1C(=COC=2C=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5 InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3 0.0 0.0 182529.69 0.0 0.0 182529.69 0.0 0.0 182529.69 521.1296 14.17 14.17 0 37 1,5-Dicaffeoylquinic acid 0.0 99072.59 0.0 0.0 99072.59 0.0 0.0 99072.59 0.0 713.1127 26.69 26.69 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 118654.67 0.0 0.0 118654.67 0.0 0.0 118654.67 347.151 12.32 12.32 0 59 0.0 656001.1 370770.75 0.0 656001.1 370770.75 0.0 656001.1 370770.75 325.0709 30.25 30.25 0 11 Trans ferulic acid 0.0 0.0 1097874.2 0.0 0.0 1097874.2 0.0 0.0 1097874.2 397.1172 3.95 3.95 0 17 97925.35 0.0 0.0 97925.35 0.0 0.0 97925.35 0.0 0.0 357.0585 18.64 18.64 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 460448.53 0.0 0.0 460448.53 0.0 0.0 460448.53 367.1033 4.33 4.33 0 1 methyl chlorogenate COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 0.0 68487.46 0.0 0.0 68487.46 0.0 0.0 68487.46 0.0 369.1441 7.64 7.64 0 11 NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match] COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1 InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-8H,2,4,9H2,1H3 440427.62 0.0 98798.86 440427.62 0.0 98798.86 440427.62 0.0 98798.86 431.0969 16.81 16.81 0 1 Apigenin-7-O-glucoside (Apigetrin) - 40eV c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 61212.6 0.0 0.0 61212.6 0.0 0.0 61212.6 0.0 179.0338 18.01 18.01 0 11 Caffeic Acid C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 0.0 511414.78 3536807.2 493.1123 21.71 21.71 0 13 Salvianolic acid A O=C(/C=C/c1c(/C=C/c2cc(O)c(O)cc2)c(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 0.0 797185.7 0.0 0.0 797185.7 0.0 0.0 797185.7 0.0 431.096 17.51 17.51 0 1 Massbank:PR306046 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 125502.96 0.0 0.0 125502.96 0.0 0.0 125502.96 651.1132 15.08 15.08 0 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 0.0 274230.16 157108.52 0.0 274230.16 157108.52 0.0 274230.16 157108.52 489.0822 28.01 28.01 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 249403.22 0.0 283828.6 249403.22 0.0 283828.6 249403.22 0.0 283828.6 679.3911 38.42 38.42 0 9 0.0 0.0 80406.59 0.0 0.0 80406.59 0.0 0.0 80406.59 667.1047 9.15 9.15 0 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 0.0 157440.17 0.0 0.0 157440.17 0.0 0.0 157440.17 0.0 313.0706 18.05 18.05 0 2 Massbank:PR305753 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 143555.5 0.0 0.0 143555.5 0.0 0.0 143555.5 785.2504 7.5 7.5 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 0.0 0.0 244106.88 0.0 0.0 244106.88 0.0 0.0 244106.88 677.1413 36.73 36.73 0 29 83229.58 0.0 0.0 83229.58 0.0 0.0 83229.58 0.0 0.0 505.0512 10.84 10.84 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 112315.016 0.0 0.0 112315.016 0.0 0.0 112315.016 0.0 0.0 363.1457 6.18 6.18 0 22 72627.68 0.0 0.0 72627.68 0.0 0.0 72627.68 0.0 0.0 661.1331 9.72 9.72 0 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 253944.53 0.0 290120.25 253944.53 0.0 290120.25 253944.53 0.0 290120.25 725.3964 38.42 38.42 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 167849.44 0.0 237801.23 167849.44 0.0 237801.23 167849.44 0.0 237801.23 291.1957 37.59 37.59 0 20 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 0.0 399445.3 0.0 0.0 399445.3 0.0 0.0 399445.3 0.0 315.0757 2.5 2.5 0 11 Arbutin - 40.0 eV c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 0.0 0.0 1114183.2 0.0 0.0 1114183.2 0.0 0.0 1114183.2 741.1476 18.5 18.5 0 18 ROSMARINIC_ACID C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 177959.81 0.0 0.0 177959.81 0.0 0.0 177959.81 983.2809 20.03 20.03 0 57 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 0.0 5539955.0 6682042.0 717.1423 27.46 27.46 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 0.0 365697.94 0.0 0.0 365697.94 0.0 0.0 365697.94 323.1367 2.41 2.41 0 41 trehalose OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 0.0 603485.1 514404.56 0.0 603485.1 514404.56 0.0 603485.1 514404.56 395.0541 18.49 18.49 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 446288.94 0.0 775254.06 446288.94 0.0 775254.06 446288.94 0.0 775254.06 566.3462 38.69 38.69 0 19 PE(18:1/20:1); [M-H]- C43H81N1O8P1 nan nan 0.0 0.0 136286.48 0.0 0.0 136286.48 0.0 0.0 136286.48 381.1219 5.29 5.29 0 7 0.0 262526.6 0.0 0.0 262526.6 0.0 0.0 262526.6 0.0 505.0782 30.76 30.76 0 15 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 2349752.0 0.0 0.0 2349752.0 0.0 0.0 2349752.0 0.0 0.0 292.1412 1.56 1.56 0 10 Polydatin OCC(O1)C(O)C(O)C(O)C1OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O)=C2 InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+ 0.0 0.0 3002348.0 0.0 0.0 3002348.0 0.0 0.0 3002348.0 717.1421 16.37 16.37 0 30 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 56767.434 140167.73 116132.4 513.0796 28.39 28.39 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 999226.2 0.0 0.0 999226.2 0.0 0.0 999226.2 367.1038 5.02 5.02 0 1 3-O-Feruloylquinic acid COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 556090.7 0.0 1435340.6 564.3299 37.63 37.63 0 19 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 0.0 0.0 1036651.44 0.0 0.0 1036651.44 0.0 0.0 1036651.44 507.2963 39.34 39.34 0 46 NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC(CCO)COC(=O)/C=C/c1cc(O)c(O)cc1 InChI=1S/C29H40O7/c1-19-11-14-29(3)22(27(34)35)5-4-6-25(29)28(19,2)15-12-21(13-16-30)18-36-26(33)10-8-20-7-9-23(31)24(32)17-20/h5,7-10,17,19,21,25,30-32H,4,6,11-16,18H2,1-3H3,(H,34,35)/b10-8+ 0.0 69120.55 216888.08 0.0 69120.55 216888.08 0.0 69120.55 216888.08 343.0817 23.88 23.88 0 2 Massbank:PR305705 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 2067522.0 4220838.0 8707527.0 359.0743 17.95 17.95 0 2 rosmarinic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 34788.492 0.0 0.0 34788.492 0.0 0.0 34788.492 0.0 350.1227 10.13 10.13 0 51 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate C=C(C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CO InChI=1S/C20H24O10/c1-11(13(22)9-21)19(27)28-10-14-16(24)17(25)18(26)20(29-14)30-15(23)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-18,20-22,24-26H,1,9-10H2/b8-7+/t13?,14-,16-,17+,18-,20+/m1/s1 132147.14 0.0 138396.56 132147.14 0.0 138396.56 132147.14 0.0 138396.56 727.4143 39.94 39.94 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 330464.72 0.0 561831.7 330464.72 0.0 561831.7 330464.72 0.0 561831.7 395.0509 18.01 18.01 0 2 rosmarinic acid O=C(C=Cc1cc(O)c(O)cc1)OC(Cc1cc(O)c(O)cc1)C(=O)O "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1" 67645.586 0.0 0.0 67645.586 0.0 0.0 67645.586 0.0 0.0 661.1364 9.52 9.52 0 4 Ala-aMCA C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 0.0 0.0 234810.73 0.0 0.0 234810.73 0.0 0.0 234810.73 769.253 14.87 14.87 0 14 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 67816.914 0.0 0.0 67816.914 0.0 0.0 67816.914 0.0 0.0 510.0862 11.52 11.52 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 324479.5 423389.1 0.0 324479.5 423389.1 0.0 324479.5 423389.1 0.0 137.0223 3.61 3.61 0 27 Massbank:FIO00673 3-Hydroxyanthranilic acid OC(=O)c(c1)c(N)c(O)cc1 1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) 0.0 44094.8 0.0 0.0 44094.8 0.0 0.0 44094.8 0.0 153.0183 5.17 5.17 0 11 HOMOGENTISIC ACID C1=C(C=C(CC(=O)O)C(=C1)O)O "InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)" 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 0.0 1581834.0 56182.457 447.0917 16.5 16.5 0 1 Massbank:PR307138 Kaempferol 3-O-sophoroside OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 0.0 484668.78 152086.94 0.0 484668.78 152086.94 0.0 484668.78 152086.94 983.2044 28.19 28.19 0 8 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 983234.2 0.0 1523738.6 337.0922 4.56 4.56 0 1 MEGxp0_001651 (Chimeric precursor selection) CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) 0.0 34815.9 0.0 0.0 34815.9 0.0 0.0 34815.9 0.0 255.8205 10.92 10.92 0 6 0.0 0.0 63728.19 0.0 0.0 63728.19 0.0 0.0 63728.19 517.0786 30.13 30.13 0 44 Spectral Match to Rosmarinic acid from NIST14 nan nan 168532.56 0.0 0.0 168532.56 0.0 0.0 168532.56 0.0 0.0 313.0687 18.68 18.68 0 2 Plantamajoside O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCCc2cc(O)c(O)cc2)O[C@@H]1CO InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1 0.0 0.0 2680236.8 0.0 0.0 2680236.8 0.0 0.0 2680236.8 491.0972 28.22 28.22 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 399090.84 0.0 0.0 399090.84 0.0 0.0 399090.84 311.0771 4.13 4.13 0 45 0.0 601165.44 544669.56 0.0 601165.44 544669.56 0.0 601165.44 544669.56 671.1386 27.48 27.48 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 67664.67 0.0 0.0 67664.67 0.0 0.0 67664.67 0.0 0.0 497.0812 18.24 18.24 0 1 Massbank:FIO01056 Diosmin c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 415647.25 0.0 0.0 415647.25 0.0 0.0 415647.25 0.0 0.0 895.1896 10.81 10.81 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 290.0899 2.08 2.08 0 10 Massbank:PR309145 N-Fructosyl isoleucine O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) 0.0 67477.55 154073.03 0.0 67477.55 154073.03 0.0 67477.55 154073.03 463.0875 11.59 11.59 0 1 Massbank:PR309227 Flavonol base + 3O, O-Hex O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C=C4 1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2 388049.78 0.0 0.0 388049.78 0.0 0.0 388049.78 0.0 0.0 729.1677 2.97 2.97 0 50 phellopterin O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 632396.06 0.0 4228939.0 491.0964 28.47 28.47 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 2280436.0 0.0 0.0 2280436.0 0.0 0.0 2280436.0 0.0 133.0154 1.68 1.68 0 34 TARTRATE O[C@@H]([C@H](O)C(O)=O)C(O)=O "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1" 0.0 0.0 426123.62 0.0 0.0 426123.62 0.0 0.0 426123.62 652.1597 20.12 20.12 0 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 233737.8 0.0 266412.94 233737.8 0.0 266412.94 233737.8 0.0 266412.94 677.3737 37.37 37.37 0 9 0.0 57378.625 0.0 0.0 57378.625 0.0 0.0 57378.625 0.0 633.3383 39.08 39.08 0 4 0.0 0.0 128604.336 0.0 0.0 128604.336 0.0 0.0 128604.336 672.1418 26.71 26.71 0 31 0.0 0.0 2955859.0 0.0 0.0 2955859.0 0.0 0.0 2955859.0 577.1312 31.5 31.5 0 1 [6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2ccc3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2O)C(O)C(O)C1O InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-10-24(35)40-13-23-25(36)27(38)28(39)30(43-23)42-21-9-7-17-19(33)12-22(41-29(17)26(21)37)15-4-8-18(32)20(34)11-15/h1-12,23,25,27-28,30-32,34,36-39H,13H2/b10-3+ 548944.2 0.0 0.0 548944.2 0.0 0.0 548944.2 0.0 0.0 395.0502 18.6 18.6 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 164857.97 828090.9 910456.4 537.1022 9.66 9.66 0 23 109365.484 0.0 0.0 109365.484 0.0 0.0 109365.484 0.0 0.0 505.0497 11.52 11.52 0 1 Luteolin-7,3'-di-O-glucoside - 50eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 0.0 0.0 75708.78 0.0 0.0 75708.78 0.0 0.0 75708.78 391.1028 11.14 11.14 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 0.0 241390.81 0.0 0.0 241390.81 0.0 0.0 241390.81 615.1474 12.61 12.61 0 1 Massbank:PR306410 Naringenin-7-O-glucoside OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 0.0 0.0 248788.95 0.0 0.0 248788.95 0.0 0.0 248788.95 723.1692 35.81 35.81 0 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 0.0 81013.41 0.0 0.0 81013.41 0.0 0.0 81013.41 0.0 397.112 20.88 20.88 0 11 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 0.0 0.0 126109.24 0.0 0.0 126109.24 0.0 0.0 126109.24 632.3177 37.62 37.62 0 35 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 387.1141 1.53 1.53 0 41 Arabitol C([C@H](C([C@@H](CO)O)O)O)O "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1" 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 165.0411 1.79 1.79 0 21 ARABINOSE C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1" 0.0 0.0 379460.03 0.0 0.0 379460.03 0.0 0.0 379460.03 577.1327 32.98 32.98 0 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 0.0 36680.36 0.0 0.0 36680.36 0.0 0.0 36680.36 0.0 305.1052 11.02 11.02 0 16 ETHYL SULFATE CCOS(=O)(=O)O "InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)" 0.0 0.0 831144.6 0.0 0.0 831144.6 0.0 0.0 831144.6 741.1392 18.97 18.97 0 2 ROSMARINIC_ACID C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 1860319.2 440067.25 0.0 285.0392 28.84 28.84 0 43 Massbank:PR306202 Eriodictyol OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1 1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 0.0 736387.1 0.0 0.0 736387.1 0.0 0.0 736387.1 0.0 439.0909 1.91 1.91 0 16 INOSINE 5'-PHOSPHATE C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) 0.0 0.0 2590000.5 0.0 0.0 2590000.5 0.0 0.0 2590000.5 717.1491 18.61 18.61 0 2 Massbank:PR308806 Rosmarinic acid OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C=CC1=CC=C(O)C(O)=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 95651.31 90911.875 0.0 95651.31 90911.875 0.0 95651.31 90911.875 731.1238 27.33 27.33 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 851738.56 0.0 1738487.5 721.3637 36.58 36.58 0 9 Melezitose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 0.0 0.0 102996.2 0.0 0.0 102996.2 0.0 0.0 102996.2 513.0803 28.22 28.22 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 1342659.9 0.0 0.0 1342659.9 0.0 0.0 1342659.9 0.0 0.0 895.1878 11.6 11.6 0 5 Luteolin-7,3'-di-O-glucoside - 20eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 0.0 0.0 410224.34 0.0 0.0 410224.34 0.0 0.0 410224.34 623.1964 13.53 13.53 0 2 [4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(COC(=O)/C=C/c3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+ 0.0 255298.67 168169.88 0.0 255298.67 168169.88 0.0 255298.67 168169.88 361.0477 30.25 30.25 0 11 537045-51-5 COC(=O)C1=C(C)Nc2c(c(=O)nc(SC)[nH]2)C1c1ccc(F)cc1 InChI=1S/C17H16FN3O3S/c1-8-11(16(23)24-2)12(9-4-6-10(18)7-5-9)13-14(19-8)20-17(25-3)21-15(13)22/h4-7,12H,1-3H3,(H2,19,20,21,22) 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 171043.92 136876.64 624105.8 343.0817 24.62 24.62 0 2 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 0.0 72840.8 0.0 0.0 72840.8 0.0 0.0 72840.8 0.0 369.1451 10.69 10.69 0 11 Sternbin COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2=O InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3 62258.297 0.0 0.0 62258.297 0.0 0.0 62258.297 0.0 0.0 809.2452 11.25 11.25 0 48 0.0 23715.402 0.0 0.0 23715.402 0.0 0.0 23715.402 0.0 409.0703 25.21 25.21 0 28 14552.476 0.0 0.0 14552.476 0.0 0.0 14552.476 0.0 0.0 255.8212 0.44 0.44 0 55 0.0 150275.5 102418.72 0.0 150275.5 102418.72 0.0 150275.5 102418.72 489.0809 9.59 9.59 0 8 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 0.0 0.0 50325.004 0.0 0.0 50325.004 0.0 0.0 50325.004 667.1393 27.58 27.58 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 0.0 442991.53 0.0 0.0 442991.53 0.0 0.0 442991.53 0.0 431.0969 16.94 16.94 0 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 518058.9 0.0 0.0 518058.9 0.0 0.0 518058.9 0.0 467.0722 17.47 17.47 0 1 Massbank:TY000187 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 0.0 0.0 1148628.0 0.0 0.0 1148628.0 0.0 0.0 1148628.0 353.0895 3.47 3.47 0 1 Chlorogenic Acid 46361.23 0.0 0.0 46361.23 0.0 0.0 46361.23 0.0 0.0 174.955 0.57 0.57 0 53 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 314586.56 286623.3 998326.94 313.0708 32.66 32.66 0 2 Massbank:PR305712 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 0.0 123573.07 0.0 0.0 123573.07 0.0 0.0 123573.07 381.122 4.71 4.71 0 7 Massbank:PR309344 Licodione base + 2Prenyl O=C(C=C(O)C=1C=CC(O)=C(C=1)CC=C(C)C)C=2C=C(C(O)=CC=2(O))CC=C(C)C 1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-14,26-28,30H,7-8H2,1-4H3 0.0 0.0 134934.53 0.0 0.0 134934.53 0.0 0.0 134934.53 709.2336 32.9 32.9 0 58 0.0 0.0 156614.81 0.0 0.0 156614.81 0.0 0.0 156614.81 565.3508 39.3 39.3 0 4 Ala-aMCA C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 0.0 0.0 85989.445 0.0 0.0 85989.445 0.0 0.0 85989.445 556.3193 38.7 38.7 0 19 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 195.0515 1.82 1.82 0 21 L-(?)-Sorbose - 40.0 eV C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 0.0 142453.58 0.0 0.0 142453.58 0.0 0.0 142453.58 0.0 509.0853 29.35 29.35 0 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 150779.95 252163.81 595613.5 161.0234 18.68 18.68 0 2 7,3',4'-Trihydroxyflavone O=c1cc(-c2cc(O)c(O)cc2)oc2c1ccc(O)c2 InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H 0.0 0.0 184274.9 0.0 0.0 184274.9 0.0 0.0 184274.9 326.901 1.32 1.32 0 38 Bafilomycin Cl CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)C=CC(=O)O)O)O)OC)C InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41) 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 245962.23 364258.72 95635.625 137.0237 15.52 15.52 0 40 2,4-Dihydroxybenzoic acid - 40.0 eV c1cc(c(cc1O)O)C(=O)O InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) 314748.06 0.0 0.0 314748.06 0.0 0.0 314748.06 0.0 0.0 607.1615 17.72 17.72 0 1 Massbank:FIO01058 Diosmin c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 228625.72 0.0 0.0 228625.72 0.0 0.0 228625.72 0.0 0.0 483.0682 10.68 10.68 0 1 Massbank:PR306882 Kaempferol-3-O-galactoside-6''-rhamnoside-3'''-rha CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3 148820.7 0.0 149501.03 148820.7 0.0 149501.03 148820.7 0.0 149501.03 313.07 17.9 17.9 0 2 Massbank:PR305739 Rosmarinic acid OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) 0.0 115090.59 411060.8 0.0 115090.59 411060.8 0.0 115090.59 411060.8 349.048 32.66 32.66 0 2 apiosylskimmin O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1 0.0 0.0 145259.02 0.0 0.0 145259.02 0.0 0.0 145259.02 639.1553 15.71 15.71 0 1 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1O InChI=1S/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-11(24)7-12(30-2)15(26)20(13)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1 0.0 107645.8 0.0 0.0 107645.8 0.0 0.0 107645.8 0.0 463.0876 12.02 12.02 0 1 NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4 InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18+,19-,20-,21?/m1/s1 0.0 22763.04 97072.484 0.0 22763.04 97072.484 0.0 22763.04 97072.484 383.0773 25.21 25.21 0 8 caftaric acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 795029.44 0.0 1245203.0 559.3115 37.93 37.93 0 42 Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV nan nan 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 6682325.5 0.0 9813914.0 353.0882 2.96 2.96 0 1 Chlorogenic Acid 0.0 105371.945 0.0 0.0 105371.945 0.0 0.0 105371.945 0.0 540.3318 38.01 38.01 0 19 Massbank:PR309158 LPC 18:2 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 116155.99 0.0 0.0 116155.99 0.0 0.0 116155.99 0.0 0.0 675.1481 16.45 16.45 0 1 Diosmin - 40eV C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 0.0 2222921.8 0.0 0.0 2222921.8 0.0 0.0 2222921.8 0.0 718.1486 27.49 27.49 0 31 0.0 0.0 64175.805 0.0 0.0 64175.805 0.0 0.0 64175.805 607.1272 10.15 10.15 0 1 Rutin C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 0.0 0.0 51257.15 0.0 0.0 51257.15 0.0 0.0 51257.15 409.0687 25.34 25.34 0 28 0.0 0.0 50499.516 0.0 0.0 50499.516 0.0 0.0 50499.516 174.9552 0.21 0.21 0 53 0.0 184799.78 104550.516 0.0 184799.78 104550.516 0.0 184799.78 104550.516 323.0553 30.27 30.27 0 11 1-hydroxy-10-methylacridone O=C1C=2C=CC=CC2N(C=3C=CC=C(O)C13)C InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3 2172778.5 0.0 0.0 2172778.5 0.0 0.0 2172778.5 0.0 0.0 353.0881 3.2 3.2 0 1 CHLOROGENIC ACID O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 0.0 3441563.8 0.0 0.0 3441563.8 0.0 0.0 3441563.8 533.175 1.79 1.79 0 1 Chlorogenic Acid 0.0 0.0 128478.52 0.0 0.0 128478.52 0.0 0.0 128478.52 895.1689 16.97 16.97 0 49 0.0 0.0 194283.03 0.0 0.0 194283.03 0.0 0.0 194283.03 755.2382 12.82 12.82 0 2 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ 0.0 4775379.0 0.0 0.0 4775379.0 0.0 0.0 4775379.0 0.0 717.1415 17.12 17.12 0 30 0.0 92114.56 43870.664 0.0 92114.56 43870.664 0.0 92114.56 43870.664 711.0949 26.7 26.7 0 31 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 104728.01 0.0 0.0 104728.01 0.0 0.0 104728.01 0.0 0.0 727.1525 2.97 2.97 0 50 Chlorogenic acid C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O CWVRJTMFETXNAD-JUHZACGLSA-N 109095.125 274259.25 0.0 109095.125 274259.25 0.0 109095.125 274259.25 0.0 503.0958 30.81 30.81 0 15 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 876426.6 82624.16 769569.0 699.3813 38.02 38.02 0 9 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV nan nan 0.0 0.0 168797.64 0.0 0.0 168797.64 0.0 0.0 168797.64 740.126 27.61 27.61 0 3 0.0 91322.38 0.0 0.0 91322.38 0.0 0.0 91322.38 0.0 187.1331 35.04 35.04 0 -1 0.0 313040.22 0.0 0.0 313040.22 0.0 0.0 313040.22 0.0 115.0057 1.91 1.91 0 -1 0.0 0.0 39603.445 0.0 0.0 39603.445 0.0 0.0 39603.445 597.2676 22.13 22.13 0 -1 152056.55 0.0 0.0 152056.55 0.0 0.0 152056.55 0.0 0.0 212.0914 4.5 4.5 0 -1 0.0 111228.03 172045.84 0.0 111228.03 172045.84 0.0 111228.03 172045.84 573.1005 29.08 29.08 0 -1 0.0 0.0 104982.914 0.0 0.0 104982.914 0.0 0.0 104982.914 677.2049 31.14 31.14 0 -1 171080.61 0.0 0.0 171080.61 0.0 0.0 171080.61 0.0 0.0 343.2098 17.88 17.88 0 -1 0.0 0.0 92352.53 0.0 0.0 92352.53 0.0 0.0 92352.53 369.2238 34.99 34.99 0 -1 0.0 0.0 221591.17 0.0 0.0 221591.17 0.0 0.0 221591.17 570.5102 39.98 39.98 0 -1 11339.567 0.0 0.0 11339.567 0.0 0.0 11339.567 0.0 0.0 971.3521 26.01 26.01 0 -1 0.0 0.0 73854.78 0.0 0.0 73854.78 0.0 0.0 73854.78 537.6041 25.68 25.68 0 -1 127615.7 385418.97 0.0 127615.7 385418.97 0.0 127615.7 385418.97 0.0 177.0165 3.98 3.98 0 -1 Massbank:RP016713 Caffeic acid|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid O=C(O)\\C=C\\c1cc(O)c(O)cc1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ 43208.074 0.0 0.0 43208.074 0.0 0.0 43208.074 0.0 0.0 691.1854 14.01 14.01 0 -1 0.0 0.0 80140.31 0.0 0.0 80140.31 0.0 0.0 80140.31 439.128 6.76 6.76 0 -1 0.0 0.0 25256.092 0.0 0.0 25256.092 0.0 0.0 25256.092 164.9268 0.34 0.34 0 -1 0.0 0.0 233797.33 0.0 0.0 233797.33 0.0 0.0 233797.33 567.2083 6.6 6.6 0 -1 0.0 19608.928 0.0 0.0 19608.928 0.0 0.0 19608.928 0.0 629.223 22.84 22.84 0 -1 0.0 0.0 62202.965 0.0 0.0 62202.965 0.0 0.0 62202.965 731.16 20.27 20.27 0 -1 114833.41 0.0 0.0 114833.41 0.0 0.0 114833.41 0.0 0.0 597.2636 17.68 17.68 0 -1 69600.35 41375.8 0.0 69600.35 41375.8 0.0 69600.35 41375.8 0.0 307.1904 33.97 33.97 0 -1 0.0 40906.62 0.0 0.0 40906.62 0.0 0.0 40906.62 0.0 935.2039 30.38 30.38 0 -1 0.0 34042.246 0.0 0.0 34042.246 0.0 0.0 34042.246 0.0 193.049 14.04 14.04 0 -1 0.0 0.0 155029.23 0.0 0.0 155029.23 0.0 0.0 155029.23 463.253 15.08 15.08 0 -1 0.0 35217.934 0.0 0.0 35217.934 0.0 0.0 35217.934 0.0 243.1591 35.09 35.09 0 -1 0.0 23973.227 0.0 0.0 23973.227 0.0 0.0 23973.227 0.0 301.2006 36.15 36.15 0 -1 164952.0 0.0 0.0 164952.0 0.0 0.0 164952.0 0.0 0.0 411.0484 3.12 3.12 0 -1 15114.163 0.0 0.0 15114.163 0.0 0.0 15114.163 0.0 0.0 199.1327 25.27 25.27 0 -1 116189.71 0.0 71080.01 116189.71 0.0 71080.01 116189.71 0.0 71080.01 521.2002 9.86 9.86 0 -1 alpha-D-glucose OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 0.0 0.0 49560.43 0.0 0.0 49560.43 0.0 0.0 49560.43 487.2864 33.98 33.98 0 -1 0.0 45895.215 0.0 0.0 45895.215 0.0 0.0 45895.215 0.0 387.286 34.03 34.03 0 -1 0.0 117027.57 279693.9 0.0 117027.57 279693.9 0.0 117027.57 279693.9 197.0447 18.66 18.66 0 -1 148540.11 0.0 0.0 148540.11 0.0 0.0 148540.11 0.0 0.0 365.1797 4.14 4.14 0 -1 1,3-Dicaffeoylquinic acid 0.0 0.0 91269.7 0.0 0.0 91269.7 0.0 0.0 91269.7 493.2277 19.41 19.41 0 -1 102652.56 31430.959 0.0 102652.56 31430.959 0.0 102652.56 31430.959 0.0 315.2522 37.77 37.77 0 -1 173131.5 0.0 162074.33 173131.5 0.0 162074.33 173131.5 0.0 162074.33 395.2026 31.04 31.04 0 -1 0.0 0.0 129192.81 0.0 0.0 129192.81 0.0 0.0 129192.81 617.3857 39.71 39.71 0 -1 Massbank:PR309357 Coumaroyl Hexoside (isomer of 691, 692) O=C(OC1OC(CO)C(O)C(O)C1(O))C=CC2=CC=C(O)C=C2 1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2 204038.78 0.0 0.0 204038.78 0.0 0.0 204038.78 0.0 0.0 515.1447 2.25 2.25 0 -1 NCGC00385218-01!7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one COC1=CC(=CC(OC)=C1O)C2=CC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3O2 InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 0.0 0.0 100486.78 0.0 0.0 100486.78 0.0 0.0 100486.78 879.1984 20.46 20.46 0 -1 0.0 0.0 131077.56 0.0 0.0 131077.56 0.0 0.0 131077.56 799.2638 13.87 13.87 0 -1 26383.104 0.0 0.0 26383.104 0.0 0.0 26383.104 0.0 0.0 607.1293 8.39 8.39 0 -1 215150.27 0.0 0.0 215150.27 0.0 0.0 215150.27 0.0 0.0 638.3294 37.15 37.15 0 -1 Massbank:PR309168 Hexosyl LPE 18:3 CC\\C=C\\C\\C=C\\C\\C=C\\CCCCCCCC(=O)OC(CO)COP(O)(=O)OCCNC1OC(CO)C(O)C(O)C1O 1S/C29H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)41-23(20-31)22-40-43(37,38)39-19-18-30-29-28(36)27(35)26(34)24(21-32)42-29/h3-4,6-7,9-10,23-24,26-32,34-36H,2,5,8,11-22H2,1H3,(H,37,38)/b4-3+,7-6+,10-9+ 111606.22 0.0 0.0 111606.22 0.0 0.0 111606.22 0.0 0.0 815.4287 37.03 37.03 0 -1 0.0 137266.8 0.0 0.0 137266.8 0.0 0.0 137266.8 0.0 323.1856 37.59 37.59 0 -1 0.0 349458.1 386282.1 0.0 349458.1 386282.1 0.0 349458.1 386282.1 537.1021 16.82 16.82 0 -1 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid O=C(/C=C/c1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+ 0.0 0.0 60033.156 0.0 0.0 60033.156 0.0 0.0 60033.156 639.3918 29.79 29.79 0 -1 0.0 0.0 40411.645 0.0 0.0 40411.645 0.0 0.0 40411.645 361.1861 24.51 24.51 0 -1 0.0 45605.324 0.0 0.0 45605.324 0.0 0.0 45605.324 0.0 349.2002 34.62 34.62 0 -1 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 377.0889 1.92 1.92 0 -1 0.0 82996.12 0.0 0.0 82996.12 0.0 0.0 82996.12 0.0 527.1345 13.57 13.57 0 -1 0.0 475704.5 0.0 0.0 475704.5 0.0 0.0 475704.5 0.0 295.0262 2.31 2.31 0 -1 2'-Deoxyadenosine cyclic 3',5'-(hydrogen phosphate) Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]2O1 InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5-6(19-7)2-18-21(16,17)20-5/h3-7H,1-2H2,(H,16,17)(H2,11,12,13)/t5-,6+,7+/m0/s1 0.0 316535.16 0.0 0.0 316535.16 0.0 0.0 316535.16 0.0 293.1752 36.93 36.93 0 -1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 124718.61 0.0 0.0 124718.61 0.0 0.0 124718.61 0.0 0.0 431.2606 34.52 34.52 0 -1 0.0 29133.783 0.0 0.0 29133.783 0.0 0.0 29133.783 0.0 311.2206 35.0 35.0 0 -1 57827.773 59362.15 135901.17 57827.773 59362.15 135901.17 57827.773 59362.15 135901.17 521.13 12.87 12.87 0 -1 0.0 0.0 48445.117 0.0 0.0 48445.117 0.0 0.0 48445.117 769.2539 13.62 13.62 0 -1 46281.41 0.0 0.0 46281.41 0.0 0.0 46281.41 0.0 0.0 381.1208 4.95 4.95 0 -1 90340.93 0.0 0.0 90340.93 0.0 0.0 90340.93 0.0 0.0 362.2689 39.61 39.61 0 -1 0.0 62059.805 0.0 0.0 62059.805 0.0 0.0 62059.805 0.0 831.4374 32.13 32.13 0 -1 0.0 0.0 103774.484 0.0 0.0 103774.484 0.0 0.0 103774.484 505.1109 29.02 29.02 0 -1 757666.4 0.0 0.0 757666.4 0.0 0.0 757666.4 0.0 0.0 618.2285 1.7 1.7 0 -1 63338.598 0.0 0.0 63338.598 0.0 0.0 63338.598 0.0 0.0 442.3137 34.08 34.08 0 -1 68165.42 0.0 0.0 68165.42 0.0 0.0 68165.42 0.0 0.0 295.1914 37.23 37.23 0 -1 7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid C=CC1(C)CC2CCC3C(C)(C(=O)O)CCCC3(C)C2=CC1=O InChI=1S/C20H28O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,11,13,15H,1,6-10,12H2,2-4H3,(H,22,23) 0.0 24076.51 0.0 0.0 24076.51 0.0 0.0 24076.51 0.0 590.1274 23.24 23.24 0 -1 0.0 271064.75 0.0 0.0 271064.75 0.0 0.0 271064.75 0.0 809.3038 31.89 31.89 0 -1 0.0 76637.32 0.0 0.0 76637.32 0.0 0.0 76637.32 0.0 121.0291 5.04 5.04 0 -1 19095.463 0.0 0.0 19095.463 0.0 0.0 19095.463 0.0 0.0 829.4407 25.39 25.39 0 -1 157783.8 0.0 0.0 157783.8 0.0 0.0 157783.8 0.0 0.0 406.262 39.89 39.89 0 -1 109438.734 0.0 0.0 109438.734 0.0 0.0 109438.734 0.0 0.0 705.3779 23.57 23.57 0 -1 0.0 134297.53 53880.914 0.0 134297.53 53880.914 0.0 134297.53 53880.914 311.0553 14.34 14.34 0 -1 0.0 59851.71 0.0 0.0 59851.71 0.0 0.0 59851.71 0.0 230.101 4.68 4.68 0 -1 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:205060 CCC(C)C(N=C(O)CCC(=O)O)C(=O)O "InChI=1S/C10H17NO5/c1-3-6(2)9(10(15)16)11-7(12)4-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)" 174510.98 0.0 0.0 174510.98 0.0 0.0 174510.98 0.0 0.0 293.2106 39.16 39.16 0 -1 6-Gingerol CCCCCC(O)CC(=O)CCc1cc(OC)c(O)cc1 "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1" 52205.92 0.0 0.0 52205.92 0.0 0.0 52205.92 0.0 0.0 667.3872 28.64 28.64 0 -1 0.0 0.0 67151.81 0.0 0.0 67151.81 0.0 0.0 67151.81 849.1631 27.65 27.65 0 -1 Spectral Match to Genistin from NIST14 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1 0.0 0.0 134160.39 0.0 0.0 134160.39 0.0 0.0 134160.39 615.2758 13.2 13.2 0 -1 0.0 0.0 47797.04 0.0 0.0 47797.04 0.0 0.0 47797.04 358.0679 27.29 27.29 0 -1 0.0 26825.064 0.0 0.0 26825.064 0.0 0.0 26825.064 0.0 361.1649 36.93 36.93 0 -1 88949.93 0.0 0.0 88949.93 0.0 0.0 88949.93 0.0 0.0 325.2005 30.43 30.43 0 -1 0.0 0.0 37801.168 0.0 0.0 37801.168 0.0 0.0 37801.168 341.229 34.29 34.29 0 -1 0.0 0.0 52376.582 0.0 0.0 52376.582 0.0 0.0 52376.582 271.1537 35.03 35.03 0 -1 0.0 0.0 249418.73 0.0 0.0 249418.73 0.0 0.0 249418.73 607.2031 20.12 20.12 0 -1 0.0 35140.72 0.0 0.0 35140.72 0.0 0.0 35140.72 0.0 799.1877 12.55 12.55 0 -1 0.0 0.0 76651.805 0.0 0.0 76651.805 0.0 0.0 76651.805 707.1527 35.16 35.16 0 -1 0.0 113975.91 0.0 0.0 113975.91 0.0 0.0 113975.91 0.0 733.198 13.45 13.45 0 -1 0.0 101730.54 0.0 0.0 101730.54 0.0 0.0 101730.54 0.0 649.3968 33.52 33.52 0 -1 0.0 0.0 419620.38 0.0 0.0 419620.38 0.0 0.0 419620.38 366.1353 2.05 2.05 0 -1 147718.97 120356.66 57683.668 147718.97 120356.66 57683.668 147718.97 120356.66 57683.668 297.2426 39.42 39.42 0 -1 106988.98 0.0 106982.125 106988.98 0.0 106982.125 106988.98 0.0 106982.125 551.3009 38.85 38.85 0 -1 0.0 204194.9 0.0 0.0 204194.9 0.0 0.0 204194.9 0.0 103.0055 2.31 2.31 0 -1 128723.36 0.0 0.0 128723.36 0.0 0.0 128723.36 0.0 0.0 879.4957 39.12 39.12 0 -1 0.0 0.0 901922.94 0.0 0.0 901922.94 0.0 0.0 901922.94 553.2105 2.59 2.59 0 -1 95895.11 0.0 0.0 95895.11 0.0 0.0 95895.11 0.0 0.0 365.1799 3.87 3.87 0 -1 60857.297 0.0 124292.945 60857.297 0.0 124292.945 60857.297 0.0 124292.945 395.1369 8.5 8.5 0 -1 0.0 0.0 684441.0 0.0 0.0 684441.0 0.0 0.0 684441.0 717.1474 21.55 21.55 0 -1 0.0 104882.73 0.0 0.0 104882.73 0.0 0.0 104882.73 0.0 239.0891 4.99 4.99 0 -1 120902.26 0.0 0.0 120902.26 0.0 0.0 120902.26 0.0 0.0 440.297 33.34 33.34 0 -1 45414.05 0.0 0.0 45414.05 0.0 0.0 45414.05 0.0 0.0 559.3173 20.91 20.91 0 -1 39131.43 0.0 0.0 39131.43 0.0 0.0 39131.43 0.0 0.0 525.2425 21.1 21.1 0 -1 0.0 28854.562 0.0 0.0 28854.562 0.0 0.0 28854.562 0.0 856.6494 38.98 38.98 0 -1 0.0 75959.74 0.0 0.0 75959.74 0.0 0.0 75959.74 0.0 505.1162 34.12 34.12 0 -1 0.0 0.0 215721.11 0.0 0.0 215721.11 0.0 0.0 215721.11 203.0915 4.86 4.86 0 -1 68615.56 0.0 0.0 68615.56 0.0 0.0 68615.56 0.0 0.0 477.1247 7.58 7.58 0 -1 0.0 30591.951 0.0 0.0 30591.951 0.0 0.0 30591.951 0.0 165.0182 5.42 5.42 0 -1 0.0 35539.742 0.0 0.0 35539.742 0.0 0.0 35539.742 0.0 761.1725 30.15 30.15 0 -1 178442.86 0.0 0.0 178442.86 0.0 0.0 178442.86 0.0 0.0 243.1958 39.81 39.81 0 -1 16-hydroxypalmitic acid 222300.61 0.0 0.0 222300.61 0.0 0.0 222300.61 0.0 0.0 424.305 36.74 36.74 0 -1 54371.848 0.0 0.0 54371.848 0.0 0.0 54371.848 0.0 0.0 437.2282 29.84 29.84 0 -1 0.0 0.0 74286.95 0.0 0.0 74286.95 0.0 0.0 74286.95 483.2002 21.46 21.46 0 -1 0.0 69134.31 37855.44 0.0 69134.31 37855.44 0.0 69134.31 37855.44 201.1119 22.23 22.23 0 -1 22576.465 0.0 0.0 22576.465 0.0 0.0 22576.465 0.0 0.0 401.1402 22.46 22.46 0 -1 0.0 0.0 75225.336 0.0 0.0 75225.336 0.0 0.0 75225.336 449.2383 33.72 33.72 0 -1 0.0 141206.52 0.0 0.0 141206.52 0.0 0.0 141206.52 0.0 703.3654 29.81 29.81 0 -1 0.0 83085.695 0.0 0.0 83085.695 0.0 0.0 83085.695 0.0 635.0697 9.67 9.67 0 -1 0.0 113929.29 0.0 0.0 113929.29 0.0 0.0 113929.29 0.0 445.0944 33.3 33.3 0 -1 0.0 30299.709 100057.84 0.0 30299.709 100057.84 0.0 30299.709 100057.84 661.1386 14.61 14.61 0 -1 0.0 61602.227 115914.36 0.0 61602.227 115914.36 0.0 61602.227 115914.36 377.0884 4.61 4.61 0 -1 0.0 464023.84 434784.9 0.0 464023.84 434784.9 0.0 464023.84 434784.9 497.3627 39.21 39.21 0 -1 0.0 0.0 44306.652 0.0 0.0 44306.652 0.0 0.0 44306.652 743.1515 22.78 22.78 0 -1 Massbank:PR306387 Quercetin-3-O-rutinoside CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 664804.2 0.0 0.0 664804.2 0.0 0.0 664804.2 0.0 0.0 215.0337 1.99 1.99 0 -1 49010.094 0.0 0.0 49010.094 0.0 0.0 49010.094 0.0 0.0 345.2256 22.12 22.12 0 -1 0.0 96677.47 0.0 0.0 96677.47 0.0 0.0 96677.47 0.0 309.1748 35.13 35.13 0 -1 0.0 0.0 97851.31 0.0 0.0 97851.31 0.0 0.0 97851.31 395.1373 9.38 9.38 0 -1 Massbank:AU206001 Metolachlor-ESA|Metolachlor esa|2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid CCC1=CC=CC(C)=C1N(C(C)COC)C(=O)CS(O)(=O)=O 1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) 134289.0 0.0 0.0 134289.0 0.0 0.0 134289.0 0.0 0.0 763.2042 13.29 13.29 0 -1 36743.777 0.0 0.0 36743.777 0.0 0.0 36743.777 0.0 0.0 525.2459 27.6 27.6 0 -1 0.0 21556.729 0.0 0.0 21556.729 0.0 0.0 21556.729 0.0 201.1484 36.72 36.72 0 -1 Massbank:RP011503 Anthranilic acid|2-azaniumylbenzoate NC1=CC=CC=C1C(O)=O 1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) 59719.867 0.0 146135.6 59719.867 0.0 146135.6 59719.867 0.0 146135.6 578.3056 33.86 33.86 0 -1 0.0 0.0 129751.805 0.0 0.0 129751.805 0.0 0.0 129751.805 731.1582 31.85 31.85 0 -1 687691.25 0.0 0.0 687691.25 0.0 0.0 687691.25 0.0 0.0 200.0575 2.06 2.06 0 -1 51740.85 0.0 0.0 51740.85 0.0 0.0 51740.85 0.0 0.0 583.2466 16.0 16.0 0 -1 0.0 24356.49 0.0 0.0 24356.49 0.0 0.0 24356.49 0.0 621.2068 23.95 23.95 0 -1 0.0 0.0 146167.11 0.0 0.0 146167.11 0.0 0.0 146167.11 577.2692 38.66 38.66 0 -1 0.0 0.0 433585.03 0.0 0.0 433585.03 0.0 0.0 433585.03 502.2292 3.76 3.76 0 -1 60292.61 0.0 0.0 60292.61 0.0 0.0 60292.61 0.0 0.0 667.3855 29.62 29.62 0 -1 69459.45 0.0 0.0 69459.45 0.0 0.0 69459.45 0.0 0.0 597.2321 33.22 33.22 0 -1 0.0 0.0 312472.12 0.0 0.0 312472.12 0.0 0.0 312472.12 161.081 4.82 4.82 0 -1 0.0 43627.363 0.0 0.0 43627.363 0.0 0.0 43627.363 0.0 337.0344 16.12 16.12 0 -1 16410.852 0.0 0.0 16410.852 0.0 0.0 16410.852 0.0 0.0 164.9268 27.18 27.18 0 -1 140726.27 0.0 154307.3 140726.27 0.0 154307.3 140726.27 0.0 154307.3 385.174 31.04 31.04 0 -1 728566.8 0.0 1054277.5 728566.8 0.0 1054277.5 728566.8 0.0 1054277.5 191.0566 2.92 2.92 0 -1 598365.7 316060.9 1145363.8 598365.7 316060.9 1145363.8 598365.7 316060.9 1145363.8 331.248 32.26 32.26 0 -1 0.0 182249.22 199260.38 0.0 182249.22 199260.38 0.0 182249.22 199260.38 311.1878 35.43 35.43 0 -1 Massbank:PR307106 trans-Caffeic acid OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 124804.555 0.0 0.0 124804.555 0.0 0.0 124804.555 0.0 0.0 636.3138 36.35 36.35 0 -1 41662.438 0.0 0.0 41662.438 0.0 0.0 41662.438 0.0 0.0 489.2667 29.18 29.18 0 -1 41529.78 0.0 0.0 41529.78 0.0 0.0 41529.78 0.0 0.0 613.2302 29.04 29.04 0 -1 0.0 19482.783 22038.504 0.0 19482.783 22038.504 0.0 19482.783 22038.504 102.9568 0.06 0.06 0 -1 267745.72 0.0 0.0 267745.72 0.0 0.0 267745.72 0.0 0.0 345.1808 36.16 36.16 0 -1 523841.78 0.0 0.0 523841.78 0.0 0.0 523841.78 0.0 0.0 341.2309 35.14 35.14 0 -1 0.0 39928.78 0.0 0.0 39928.78 0.0 0.0 39928.78 0.0 194.0814 37.4 37.4 0 -1 0.0 62251.12 0.0 0.0 62251.12 0.0 0.0 62251.12 0.0 239.1276 36.35 36.35 0 -1 306723.84 43816.664 0.0 306723.84 43816.664 0.0 306723.84 43816.664 0.0 309.2047 33.79 33.79 0 -1 110771.27 0.0 86506.04 110771.27 0.0 86506.04 110771.27 0.0 86506.04 309.2057 36.96 36.96 0 -1 0.0 0.0 546192.06 0.0 0.0 546192.06 0.0 0.0 546192.06 719.1603 21.25 21.25 0 -1 27622.72 0.0 0.0 27622.72 0.0 0.0 27622.72 0.0 0.0 611.3272 26.58 26.58 0 -1 0.0 151056.17 220475.5 0.0 151056.17 220475.5 0.0 151056.17 220475.5 329.2322 33.65 33.65 0 -1 101543.164 0.0 0.0 101543.164 0.0 0.0 101543.164 0.0 0.0 671.1364 17.27 17.27 0 -1 0.0 301404.8 0.0 0.0 301404.8 0.0 0.0 301404.8 0.0 733.1934 19.1 19.1 0 -1 1112706.0 0.0 700917.3 1112706.0 0.0 700917.3 1112706.0 0.0 700917.3 327.2158 31.35 31.35 0 -1 0.0 47919.67 0.0 0.0 47919.67 0.0 0.0 47919.67 0.0 439.2445 31.09 31.09 0 -1 0.0 0.0 16059.395 0.0 0.0 16059.395 0.0 0.0 16059.395 134.865 0.34 0.34 0 -1 0.0 0.0 442448.88 0.0 0.0 442448.88 0.0 0.0 442448.88 179.0568 1.83 1.83 0 -1 0.0 748404.25 0.0 0.0 748404.25 0.0 0.0 748404.25 0.0 763.2087 13.65 13.65 0 -1 42610.727 0.0 0.0 42610.727 0.0 0.0 42610.727 0.0 0.0 585.2331 23.84 23.84 0 -1 53239.867 0.0 0.0 53239.867 0.0 0.0 53239.867 0.0 0.0 307.0718 23.98 23.98 0 -1 Massbank:PR301263 Ellipticine CC1=C2NC3=CC=CC=C3C2=C(C)C2=CN=CC=C12 1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 0.0 352893.84 0.0 0.0 352893.84 0.0 0.0 352893.84 0.0 232.0843 2.31 2.31 0 -1 INOSINE C([C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)O)O1)O)O)O "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1" 0.0 0.0 86748.37 0.0 0.0 86748.37 0.0 0.0 86748.37 487.2886 34.24 34.24 0 -1 0.0 46593.33 0.0 0.0 46593.33 0.0 0.0 46593.33 0.0 845.2821 31.89 31.89 0 -1 0.0 0.0 38541.08 0.0 0.0 38541.08 0.0 0.0 38541.08 667.19 22.87 22.87 0 -1 195413.19 0.0 0.0 195413.19 0.0 0.0 195413.19 0.0 0.0 187.0957 13.5 13.5 0 -1 0.0 0.0 159312.8 0.0 0.0 159312.8 0.0 0.0 159312.8 845.4506 37.86 37.86 0 -1 482261.4 0.0 551823.2 482261.4 0.0 551823.2 482261.4 0.0 551823.2 689.351 38.02 38.02 0 -1 78834.195 0.0 0.0 78834.195 0.0 0.0 78834.195 0.0 0.0 325.1998 31.86 31.86 0 -1 153010.95 34144.67 0.0 153010.95 34144.67 0.0 153010.95 34144.67 0.0 239.1278 33.86 33.86 0 -1 0.0 0.0 69090.24 0.0 0.0 69090.24 0.0 0.0 69090.24 405.1593 13.41 13.41 0 -1 108574.56 179232.2 285545.03 108574.56 179232.2 285545.03 108574.56 179232.2 285545.03 543.3255 30.57 30.57 0 -1 15763.086 0.0 0.0 15763.086 0.0 0.0 15763.086 0.0 0.0 559.2934 25.16 25.16 0 -1 30797.271 0.0 0.0 30797.271 0.0 0.0 30797.271 0.0 0.0 639.2992 29.41 29.41 0 -1 0.0 41969.656 0.0 0.0 41969.656 0.0 0.0 41969.656 0.0 257.175 36.3 36.3 0 -1 12712.038 0.0 13867.77 12712.038 0.0 13867.77 12712.038 0.0 13867.77 242.9426 0.49 0.49 0 -1 0.0 270581.38 0.0 0.0 270581.38 0.0 0.0 270581.38 0.0 507.0923 28.86 28.86 0 -1 80431.15 0.0 0.0 80431.15 0.0 0.0 80431.15 0.0 0.0 325.1994 31.27 31.27 0 -1 (10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid CC/C=C/CC(C(/C=C/C(CCCCCCCC(O)=O)O)O)O InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23) 0.0 65137.66 0.0 0.0 65137.66 0.0 0.0 65137.66 0.0 293.195 38.13 38.13 0 -1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 72172.1 0.0 53817.31 72172.1 0.0 53817.31 72172.1 0.0 53817.31 407.1818 11.05 11.05 0 -1 0.0 71160.875 0.0 0.0 71160.875 0.0 0.0 71160.875 0.0 559.0822 21.41 21.41 0 -1 0.0 24884.725 0.0 0.0 24884.725 0.0 0.0 24884.725 0.0 303.0074 34.46 34.46 0 -1 0.0 46330.28 0.0 0.0 46330.28 0.0 0.0 46330.28 0.0 327.2155 31.58 31.58 0 -1 448142.28 0.0 87220.914 448142.28 0.0 87220.914 448142.28 0.0 87220.914 313.2376 36.94 36.94 0 -1 0.0 0.0 37454.844 0.0 0.0 37454.844 0.0 0.0 37454.844 459.1823 23.28 23.28 0 -1 0.0 0.0 152434.94 0.0 0.0 152434.94 0.0 0.0 152434.94 293.2106 38.51 38.51 0 -1 0.0 0.0 42257.65 0.0 0.0 42257.65 0.0 0.0 42257.65 519.2731 31.46 31.46 0 -1 43402.598 0.0 0.0 43402.598 0.0 0.0 43402.598 0.0 0.0 257.1375 31.47 31.47 0 -1 501727.6 0.0 0.0 501727.6 0.0 0.0 501727.6 0.0 0.0 645.4295 36.04 36.04 0 -1 0.0 0.0 71123.81 0.0 0.0 71123.81 0.0 0.0 71123.81 144.0446 11.14 11.14 0 -1 0.0 77241.98 0.0 0.0 77241.98 0.0 0.0 77241.98 0.0 737.1153 33.13 33.13 0 -1 0.0 0.0 125901.3 0.0 0.0 125901.3 0.0 0.0 125901.3 395.1379 7.66 7.66 0 -1 0.0 97862.41 0.0 0.0 97862.41 0.0 0.0 97862.41 0.0 144.0444 11.02 11.02 0 -1 0.0 0.0 75386.805 0.0 0.0 75386.805 0.0 0.0 75386.805 580.3234 34.77 34.77 0 -1 Massbank:PR309157 LPC 18:3 O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCC=CCC 1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3 173415.48 0.0 0.0 173415.48 0.0 0.0 173415.48 0.0 0.0 395.2017 32.9 32.9 0 -1 0.0 0.0 95574.57 0.0 0.0 95574.57 0.0 0.0 95574.57 673.1837 15.89 15.89 0 -1 30937.965 0.0 0.0 30937.965 0.0 0.0 30937.965 0.0 0.0 209.1172 27.12 27.12 0 -1 0.0 29574.137 0.0 0.0 29574.137 0.0 0.0 29574.137 0.0 551.2081 8.19 8.19 0 -1 0.0 0.0 93259.01 0.0 0.0 93259.01 0.0 0.0 93259.01 413.1454 6.92 6.92 0 -1 0.0 0.0 77268.45 0.0 0.0 77268.45 0.0 0.0 77268.45 469.1747 22.82 22.82 0 -1 110783.305 0.0 0.0 110783.305 0.0 0.0 110783.305 0.0 0.0 509.248 33.14 33.14 0 -1 0.0 0.0 72893.03 0.0 0.0 72893.03 0.0 0.0 72893.03 358.0691 16.28 16.28 0 -1 0.0 57210.215 0.0 0.0 57210.215 0.0 0.0 57210.215 0.0 419.2647 33.39 33.39 0 -1 48881.258 0.0 0.0 48881.258 0.0 0.0 48881.258 0.0 0.0 491.2411 35.56 35.56 0 -1 0.0 21183.346 0.0 0.0 21183.346 0.0 0.0 21183.346 0.0 132.9226 36.82 36.82 0 -1 0.0 24254.44 0.0 0.0 24254.44 0.0 0.0 24254.44 0.0 379.2067 36.15 36.15 0 -1 233481.84 0.0 0.0 233481.84 0.0 0.0 233481.84 0.0 0.0 322.1134 1.18 1.18 0 -1 104321.23 0.0 0.0 104321.23 0.0 0.0 104321.23 0.0 0.0 609.4099 38.14 38.14 0 -1 0.0 82554.055 0.0 0.0 82554.055 0.0 0.0 82554.055 0.0 479.2798 39.99 39.99 0 -1 0.0 0.0 71232.84 0.0 0.0 71232.84 0.0 0.0 71232.84 548.0931 25.29 25.29 0 -1 50983.227 0.0 0.0 50983.227 0.0 0.0 50983.227 0.0 0.0 521.1279 12.69 12.69 0 -1 ROSMARINIC ACID C1=C(/C=C/C(=O)O[C@H](CC2=CC=C(C(=C2)O)O)C(=O)O)C=C(C(=C1)O)O "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1" 21161.4 0.0 0.0 21161.4 0.0 0.0 21161.4 0.0 0.0 505.1844 27.49 27.49 0 -1 0.0 286522.22 0.0 0.0 286522.22 0.0 0.0 286522.22 0.0 809.3005 31.13 31.13 0 -1 0.0 0.0 128385.26 0.0 0.0 128385.26 0.0 0.0 128385.26 557.2975 37.26 37.26 0 -1 0.0 28742.648 0.0 0.0 28742.648 0.0 0.0 28742.648 0.0 541.314 32.21 32.21 0 -1 89517.125 0.0 0.0 89517.125 0.0 0.0 89517.125 0.0 0.0 541.309 31.27 31.27 0 -1 0.0 0.0 109157.66 0.0 0.0 109157.66 0.0 0.0 109157.66 385.2581 37.58 37.58 0 -1 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid O=C(O)CCCCCCCC(=O)OCC(O)CO InChI=1S/C12H22O6/c13-8-10(14)9-18-12(17)7-5-3-1-2-4-6-11(15)16/h10,13-14H,1-9H2,(H,15,16) 0.0 0.0 322766.22 0.0 0.0 322766.22 0.0 0.0 322766.22 161.0808 4.48 4.48 0 -1 0.0 46589.62 0.0 0.0 46589.62 0.0 0.0 46589.62 0.0 651.1103 14.94 14.94 0 -1 Massbank:FIO00765 Afzelin Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C(C)3)C(=O)c(c(O)2)c(cc(O)c2)1 1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 350185.25 0.0 0.0 350185.25 0.0 0.0 350185.25 0.0 0.0 215.0336 2.43 2.43 0 -1 189404.11 0.0 0.0 189404.11 0.0 0.0 189404.11 0.0 0.0 293.2105 38.65 38.65 0 -1 60911.395 0.0 0.0 60911.395 0.0 0.0 60911.395 0.0 0.0 527.2533 19.85 19.85 0 -1 239636.06 0.0 0.0 239636.06 0.0 0.0 239636.06 0.0 0.0 794.26 1.92 1.92 0 -1 0.0 42851.582 0.0 0.0 42851.582 0.0 0.0 42851.582 0.0 270.2065 37.45 37.45 0 -1 N-ACETYL-L-LEUCINE O=C(N[C@H](C(=O)O)CC(C)C)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 0.0 262542.22 0.0 0.0 262542.22 0.0 0.0 262542.22 0.0 505.1116 31.13 31.13 0 -1 0.0 0.0 2853054.0 0.0 0.0 2853054.0 0.0 0.0 2853054.0 490.1859 3.17 3.17 0 -1 0.0 0.0 163972.55 0.0 0.0 163972.55 0.0 0.0 163972.55 547.2393 6.72 6.72 0 -1 NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid CC(O)(C(=O)O)C(O)COC(=O)/C=C/c1cc(O)c(O)cc1 InChI=1S/C14H16O8/c1-14(21,13(19)20)11(17)7-22-12(18)5-3-8-2-4-9(15)10(16)6-8/h2-6,11,15-17,21H,7H2,1H3,(H,19,20)/b5-3+ 43165.516 0.0 0.0 43165.516 0.0 0.0 43165.516 0.0 0.0 669.4026 28.14 28.14 0 -1 185841.36 0.0 150905.6 185841.36 0.0 150905.6 185841.36 0.0 150905.6 345.1833 36.96 36.96 0 -1 0.0 62963.87 0.0 0.0 62963.87 0.0 0.0 62963.87 0.0 591.1633 25.41 25.41 0 -1 0.0 33535.832 68442.125 0.0 33535.832 68442.125 0.0 33535.832 68442.125 541.3123 32.0 32.0 0 -1 0.0 122982.53 190440.75 0.0 122982.53 190440.75 0.0 122982.53 190440.75 519.0924 27.4 27.4 0 -1 37474.887 0.0 0.0 37474.887 0.0 0.0 37474.887 0.0 0.0 709.0795 17.31 17.31 0 -1 0.0 0.0 197203.33 0.0 0.0 197203.33 0.0 0.0 197203.33 539.2227 8.15 8.15 0 -1 0.0 0.0 94763.03 0.0 0.0 94763.03 0.0 0.0 94763.03 483.1994 19.46 19.46 0 -1 0.0 0.0 112759.55 0.0 0.0 112759.55 0.0 0.0 112759.55 535.0902 21.18 21.18 0 -1 Lithospermic acid O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1 0.0 0.0 156336.52 0.0 0.0 156336.52 0.0 0.0 156336.52 577.2699 39.63 39.63 0 -1 128108.72 96506.62 215079.34 128108.72 96506.62 215079.34 128108.72 96506.62 215079.34 365.2082 32.42 32.42 0 -1 463420.44 0.0 272070.97 463420.44 0.0 272070.97 463420.44 0.0 272070.97 527.288 39.52 39.52 0 -1 (2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid O=C(OCC(O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 InChI=1S/C16H20O10/c17-9(6-24-15(23)8-4-2-1-3-5-8)7-25-16-12(20)10(18)11(19)13(26-16)14(21)22/h1-5,9-13,16-20H,6-7H2,(H,21,22)/t9?,10-,11-,12+,13-,16+/m0/s1 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 296.8809 1.33 1.33 0 -1 0.0 0.0 98739.055 0.0 0.0 98739.055 0.0 0.0 98739.055 529.3002 35.32 35.32 0 -1 259913.28 0.0 0.0 259913.28 0.0 0.0 259913.28 0.0 0.0 675.2751 30.09 30.09 0 -1 0.0 701897.25 814761.0 0.0 701897.25 814761.0 0.0 701897.25 814761.0 239.0776 1.56 1.56 0 -1 0.0 46788.48 0.0 0.0 46788.48 0.0 0.0 46788.48 0.0 580.3243 35.97 35.97 0 -1 0.0 0.0 50332.797 0.0 0.0 50332.797 0.0 0.0 50332.797 599.1156 31.5 31.5 0 -1 0.0 0.0 125332.57 0.0 0.0 125332.57 0.0 0.0 125332.57 711.1921 33.28 33.28 0 -1 40549.16 0.0 0.0 40549.16 0.0 0.0 40549.16 0.0 0.0 955.2886 28.96 28.96 0 -1 0.0 45144.332 0.0 0.0 45144.332 0.0 0.0 45144.332 0.0 555.187 25.32 25.32 0 -1 112354.49 0.0 0.0 112354.49 0.0 0.0 112354.49 0.0 0.0 131.0709 4.3 4.3 0 -1 98448.17 0.0 0.0 98448.17 0.0 0.0 98448.17 0.0 0.0 243.1216 15.29 15.29 0 -1 142010.25 0.0 0.0 142010.25 0.0 0.0 142010.25 0.0 0.0 426.2821 33.3 33.3 0 -1 112535.625 0.0 0.0 112535.625 0.0 0.0 112535.625 0.0 0.0 512.3004 32.27 32.27 0 -1 0.0 0.0 57499.477 0.0 0.0 57499.477 0.0 0.0 57499.477 713.1706 21.99 21.99 0 -1 0.0 54046.28 0.0 0.0 54046.28 0.0 0.0 54046.28 0.0 521.3277 31.17 31.17 0 -1 32842.812 0.0 0.0 32842.812 0.0 0.0 32842.812 0.0 0.0 401.1395 22.73 22.73 0 -1 0.0 175451.88 0.0 0.0 175451.88 0.0 0.0 175451.88 0.0 313.2375 37.26 37.26 0 -1 0.0 78201.98 0.0 0.0 78201.98 0.0 0.0 78201.98 0.0 428.3021 39.54 39.54 0 -1 45606.02 0.0 0.0 45606.02 0.0 0.0 45606.02 0.0 0.0 503.2228 5.08 5.08 0 -1 36598.598 0.0 0.0 36598.598 0.0 0.0 36598.598 0.0 0.0 345.1527 5.81 5.81 0 -1 450942.8 0.0 0.0 450942.8 0.0 0.0 450942.8 0.0 0.0 299.0544 32.66 32.66 0 -1 Diosmetin COc1c(O)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 65540.45 0.0 0.0 65540.45 0.0 0.0 65540.45 0.0 0.0 569.235 7.21 7.21 0 -1 40083.89 0.0 0.0 40083.89 0.0 0.0 40083.89 0.0 0.0 731.1608 24.67 24.67 0 -1 0.0 0.0 61517.906 0.0 0.0 61517.906 0.0 0.0 61517.906 419.0537 25.16 25.16 0 -1 0.0 19972.47 0.0 0.0 19972.47 0.0 0.0 19972.47 0.0 489.1036 25.32 25.32 0 -1 0.0 0.0 439068.75 0.0 0.0 439068.75 0.0 0.0 439068.75 429.1552 3.65 3.65 0 -1 0.0 51074.117 0.0 0.0 51074.117 0.0 0.0 51074.117 0.0 733.1962 14.94 14.94 0 -1 0.0 69058.305 0.0 0.0 69058.305 0.0 0.0 69058.305 0.0 721.1942 7.96 7.96 0 -1 115973.305 0.0 0.0 115973.305 0.0 0.0 115973.305 0.0 0.0 595.2761 39.53 39.53 0 -1 49972.695 0.0 0.0 49972.695 0.0 0.0 49972.695 0.0 0.0 551.2122 7.17 7.17 0 -1 0.0 57784.562 101737.57 0.0 57784.562 101737.57 0.0 57784.562 101737.57 163.0387 7.33 7.33 0 -1 213982.47 0.0 0.0 213982.47 0.0 0.0 213982.47 0.0 0.0 405.2742 38.53 38.53 0 -1 0.0 26265.762 0.0 0.0 26265.762 0.0 0.0 26265.762 0.0 593.2703 34.36 34.36 0 -1 0.0 52687.23 5502382.0 0.0 52687.23 5502382.0 0.0 52687.23 5502382.0 609.1447 9.34 9.34 0 -1 0.0 47954.508 0.0 0.0 47954.508 0.0 0.0 47954.508 0.0 323.1863 35.49 35.49 0 -1 0.0 213910.89 0.0 0.0 213910.89 0.0 0.0 213910.89 0.0 246.0949 4.22 4.22 0 -1 0.0 25616.14 0.0 0.0 25616.14 0.0 0.0 25616.14 0.0 591.1615 24.35 24.35 0 -1 0.0 71819.1 0.0 0.0 71819.1 0.0 0.0 71819.1 0.0 617.1966 6.22 6.22 0 -1 131755.66 0.0 0.0 131755.66 0.0 0.0 131755.66 0.0 0.0 456.2547 39.53 39.53 0 -1 102878.086 0.0 0.0 102878.086 0.0 0.0 102878.086 0.0 0.0 509.2491 32.66 32.66 0 -1 338743.34 466167.66 235293.12 338743.34 466167.66 235293.12 338743.34 466167.66 235293.12 187.0963 13.86 13.86 0 -1 Massbank:RP015312 Suberic acid|Octanedioic acid OC(=O)CCCCCCC(O)=O 1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) 0.0 71808.23 0.0 0.0 71808.23 0.0 0.0 71808.23 0.0 255.1966 38.05 38.05 0 -1 134198.55 0.0 0.0 134198.55 0.0 0.0 134198.55 0.0 0.0 252.1224 31.82 31.82 0 -1 68740.05 0.0 0.0 68740.05 0.0 0.0 68740.05 0.0 0.0 695.3797 35.18 35.18 0 -1 0.0 37520.184 0.0 0.0 37520.184 0.0 0.0 37520.184 0.0 324.0535 7.96 7.96 0 -1 79658.27 0.0 0.0 79658.27 0.0 0.0 79658.27 0.0 0.0 479.2796 39.45 39.45 0 -1 0.0 1912095.5 0.0 0.0 1912095.5 0.0 0.0 1912095.5 0.0 718.1459 17.12 17.12 0 -1 107610.07 0.0 0.0 107610.07 0.0 0.0 107610.07 0.0 0.0 136.0763 4.46 4.46 0 -1 16632.74 0.0 0.0 16632.74 0.0 0.0 16632.74 0.0 0.0 745.3005 12.79 12.79 0 -1 0.0 49834.668 0.0 0.0 49834.668 0.0 0.0 49834.668 0.0 173.0804 5.69 5.69 0 -1 Octanedioic acid O=C(O)CCCCCCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) 80168.51 0.0 0.0 80168.51 0.0 0.0 80168.51 0.0 0.0 721.1972 7.83 7.83 0 -1 0.0 0.0 26572.117 0.0 0.0 26572.117 0.0 0.0 26572.117 326.1042 23.91 23.91 0 -1 CAFFEATE OC(=O)\\C=C/C1=CC=C(O)C(O)=C1 "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-" 0.0 18206.418 0.0 0.0 18206.418 0.0 0.0 18206.418 0.0 533.2485 23.68 23.68 0 -1 0.0 384610.56 0.0 0.0 384610.56 0.0 0.0 384610.56 0.0 521.1998 9.75 9.75 0 -1 38854.668 0.0 0.0 38854.668 0.0 0.0 38854.668 0.0 0.0 487.067 8.98 8.98 0 -1 0.0 0.0 57155.605 0.0 0.0 57155.605 0.0 0.0 57155.605 609.0759 29.1 29.1 0 -1 0.0 45064.105 47867.74 0.0 45064.105 47867.74 0.0 45064.105 47867.74 174.9548 0.83 0.83 0 -1 0.0 0.0 132446.92 0.0 0.0 132446.92 0.0 0.0 132446.92 429.1535 4.17 4.17 0 -1 154575.06 0.0 194956.69 154575.06 0.0 194956.69 154575.06 0.0 194956.69 873.3879 35.77 35.77 0 -1 0.0 70242.68 0.0 0.0 70242.68 0.0 0.0 70242.68 0.0 737.1115 26.81 26.81 0 -1 0.0 0.0 53002.207 0.0 0.0 53002.207 0.0 0.0 53002.207 271.1542 35.2 35.2 0 -1 0.0 0.0 71133.77 0.0 0.0 71133.77 0.0 0.0 71133.77 421.0687 30.52 30.52 0 -1 75195.14 0.0 83930.195 75195.14 0.0 83930.195 75195.14 0.0 83930.195 343.1668 34.85 34.85 0 -1 0.0 0.0 67062.94 0.0 0.0 67062.94 0.0 0.0 67062.94 194.0812 36.64 36.64 0 -1 17120.547 0.0 0.0 17120.547 0.0 0.0 17120.547 0.0 0.0 497.1814 26.01 26.01 0 -1 0.0 0.0 470564.97 0.0 0.0 470564.97 0.0 0.0 470564.97 219.0869 3.76 3.76 0 -1 232440.14 0.0 108146.11 232440.14 0.0 108146.11 232440.14 0.0 108146.11 363.215 38.81 38.81 0 -1 0.0 145093.52 159866.72 0.0 145093.52 159866.72 0.0 145093.52 159866.72 339.05 9.63 9.63 0 -1 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 158.9774 1.18 1.18 0 -1 0.0 0.0 119274.73 0.0 0.0 119274.73 0.0 0.0 119274.73 405.1571 14.54 14.54 0 -1 0.0 75258.836 0.0 0.0 75258.836 0.0 0.0 75258.836 0.0 347.0322 15.26 15.26 0 -1 KS IV O=C(O)c1cc(-c2cc(O)c(O)cc2)c2cc(O)c(O)cc2c1 InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) 0.0 0.0 64995.34 0.0 0.0 64995.34 0.0 0.0 64995.34 203.0912 5.78 5.78 0 -1 0.0 413825.06 0.0 0.0 413825.06 0.0 0.0 413825.06 0.0 671.1369 17.12 17.12 0 -1 42727.402 0.0 0.0 42727.402 0.0 0.0 42727.402 0.0 0.0 510.087 10.92 10.92 0 -1 nicotiflorin C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 0.0 63398.54 0.0 0.0 63398.54 0.0 0.0 63398.54 0.0 489.099 22.14 22.14 0 -1 0.0 0.0 53047.145 0.0 0.0 53047.145 0.0 0.0 53047.145 283.1538 32.74 32.74 0 -1 0.0 0.0 41518.625 0.0 0.0 41518.625 0.0 0.0 41518.625 709.1178 20.08 20.08 0 -1 0.0 0.0 64315.613 0.0 0.0 64315.613 0.0 0.0 64315.613 345.2632 34.49 34.49 0 -1 0.0 21284.994 0.0 0.0 21284.994 0.0 0.0 21284.994 0.0 483.2369 36.3 36.3 0 -1 142584.62 0.0 194300.47 142584.62 0.0 194300.47 142584.62 0.0 194300.47 325.2004 29.7 29.7 0 -1 0.0 64685.508 0.0 0.0 64685.508 0.0 0.0 64685.508 0.0 687.5758 39.46 39.46 0 -1 138557.72 0.0 0.0 138557.72 0.0 0.0 138557.72 0.0 0.0 703.3619 30.05 30.05 0 -1 5086320.5 0.0 196686.45 5086320.5 0.0 196686.45 5086320.5 0.0 196686.45 311.2205 36.03 36.03 0 -1 0.0 0.0 466038.78 0.0 0.0 466038.78 0.0 0.0 466038.78 557.1771 6.52 6.52 0 -1 0.0 81582.24 0.0 0.0 81582.24 0.0 0.0 81582.24 0.0 323.2218 39.8 39.8 0 -1 18b-glycyrrhetinic acid CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 852924.25 40120.41 546965.0 852924.25 40120.41 546965.0 852924.25 40120.41 546965.0 307.1894 34.85 34.85 0 -1 CORTICOSTERONE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 0.0 161803.12 0.0 0.0 161803.12 0.0 0.0 161803.12 0.0 280.9064 1.27 1.27 0 -1 93785.6 0.0 0.0 93785.6 0.0 0.0 93785.6 0.0 0.0 703.3617 29.62 29.62 0 -1 77398.11 0.0 0.0 77398.11 0.0 0.0 77398.11 0.0 0.0 533.2591 7.71 7.71 0 -1 49368.07 0.0 0.0 49368.07 0.0 0.0 49368.07 0.0 0.0 513.207 21.1 21.1 0 -1 0.0 20355.223 0.0 0.0 20355.223 0.0 0.0 20355.223 0.0 555.1872 24.55 24.55 0 -1 58225.715 0.0 0.0 58225.715 0.0 0.0 58225.715 0.0 0.0 583.2164 29.7 29.7 0 -1 155286.84 122385.586 125517.64 155286.84 122385.586 125517.64 155286.84 122385.586 125517.64 215.1275 30.83 30.83 0 -1 167605.95 41163.93 0.0 167605.95 41163.93 0.0 167605.95 41163.93 0.0 347.1982 37.68 37.68 0 -1 2012773.0 142706.33 1284677.1 2012773.0 142706.33 1284677.1 2012773.0 142706.33 1284677.1 295.2268 38.82 38.82 0 -1 126321.79 0.0 0.0 126321.79 0.0 0.0 126321.79 0.0 0.0 421.2323 34.52 34.52 0 -1 22331.12 0.0 0.0 22331.12 0.0 0.0 22331.12 0.0 0.0 971.3489 23.47 23.47 0 -1 0.0 0.0 146119.7 0.0 0.0 146119.7 0.0 0.0 146119.7 363.1471 7.04 7.04 0 -1 48259.42 0.0 0.0 48259.42 0.0 0.0 48259.42 0.0 0.0 307.1885 33.71 33.71 0 -1 0.0 20747.256 0.0 0.0 20747.256 0.0 0.0 20747.256 0.0 357.0623 25.21 25.21 0 -1 0.0 0.0 358707.47 0.0 0.0 358707.47 0.0 0.0 358707.47 363.1469 5.33 5.33 0 -1 279080.56 0.0 175782.67 279080.56 0.0 175782.67 279080.56 0.0 175782.67 361.1985 38.15 38.15 0 -1 0.0 0.0 42362.094 0.0 0.0 42362.094 0.0 0.0 42362.094 407.1786 10.84 10.84 0 -1 234855.58 0.0 0.0 234855.58 0.0 0.0 234855.58 0.0 0.0 466.2824 39.53 39.53 0 -1 46737.133 0.0 0.0 46737.133 0.0 0.0 46737.133 0.0 0.0 733.1948 13.29 13.29 0 -1 0.0 0.0 41140.29 0.0 0.0 41140.29 0.0 0.0 41140.29 437.1506 22.59 22.59 0 -1 72285.78 0.0 0.0 72285.78 0.0 0.0 72285.78 0.0 0.0 417.2106 10.96 10.96 0 -1 2913366.8 0.0 2235727.2 2913366.8 0.0 2235727.2 2913366.8 0.0 2235727.2 293.2106 38.13 38.13 0 -1 31192.1 0.0 0.0 31192.1 0.0 0.0 31192.1 0.0 0.0 477.2298 21.14 21.14 0 -1 0.0 0.0 179526.08 0.0 0.0 179526.08 0.0 0.0 179526.08 740.1282 27.21 27.21 0 -1 266383.78 0.0 0.0 266383.78 0.0 0.0 266383.78 0.0 0.0 309.2047 35.31 35.31 0 -1 0.0 0.0 89792.375 0.0 0.0 89792.375 0.0 0.0 89792.375 785.2477 12.24 12.24 0 -1 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 0.0 0.0 147191.73 0.0 0.0 147191.73 0.0 0.0 147191.73 641.1658 36.97 36.97 0 -1 111102.05 0.0 0.0 111102.05 0.0 0.0 111102.05 0.0 0.0 283.1074 31.18 31.18 0 -1 21669.508 0.0 0.0 21669.508 0.0 0.0 21669.508 0.0 0.0 164.9265 0.63 0.63 0 -1 0.0 0.0 81781.96 0.0 0.0 81781.96 0.0 0.0 81781.96 401.2193 39.22 39.22 0 -1 0.0 0.0 74591.805 0.0 0.0 74591.805 0.0 0.0 74591.805 491.3158 33.94 33.94 0 -1 0.0 82241.01 0.0 0.0 82241.01 0.0 0.0 82241.01 0.0 942.6991 39.33 39.33 0 -1 0.0 0.0 234848.03 0.0 0.0 234848.03 0.0 0.0 234848.03 397.3329 39.98 39.98 0 -1 0.0 0.0 498993.66 0.0 0.0 498993.66 0.0 0.0 498993.66 715.1249 17.05 17.05 0 -1 0.0 0.0 97362.45 0.0 0.0 97362.45 0.0 0.0 97362.45 623.1189 34.33 34.33 0 -1 0.0 68291.56 0.0 0.0 68291.56 0.0 0.0 68291.56 0.0 433.2201 39.63 39.63 0 -1 0.0 138563.28 0.0 0.0 138563.28 0.0 0.0 138563.28 0.0 810.3047 31.13 31.13 0 -1 0.0 0.0 82325.586 0.0 0.0 82325.586 0.0 0.0 82325.586 675.3625 29.3 29.3 0 -1 320835.34 0.0 0.0 320835.34 0.0 0.0 320835.34 0.0 0.0 323.2215 36.74 36.74 0 -1 0.0 99355.59 0.0 0.0 99355.59 0.0 0.0 99355.59 0.0 541.0909 31.13 31.13 0 -1 0.0 32902.7 0.0 0.0 32902.7 0.0 0.0 32902.7 0.0 350.123 9.22 9.22 0 -1 106365.945 0.0 0.0 106365.945 0.0 0.0 106365.945 0.0 0.0 407.2909 39.45 39.45 0 -1 ALPHA-N-ACETYL-GLUTAMINE C/C(=N/C(CCC(=N)O)C(=O)O)/O "InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)" 0.0 90704.6 0.0 0.0 90704.6 0.0 0.0 90704.6 0.0 311.2218 39.33 39.33 0 -1 745921.9 0.0 0.0 745921.9 0.0 0.0 745921.9 0.0 0.0 329.1884 38.65 38.65 0 -1 142209.56 0.0 0.0 142209.56 0.0 0.0 142209.56 0.0 0.0 557.1764 9.93 9.93 0 -1 0.0 103654.16 0.0 0.0 103654.16 0.0 0.0 103654.16 0.0 589.1848 9.18 9.18 0 -1 126441.695 0.0 58686.285 126441.695 0.0 58686.285 126441.695 0.0 58686.285 426.2839 32.02 32.02 0 -1 215583.64 0.0 0.0 215583.64 0.0 0.0 215583.64 0.0 0.0 343.2102 17.68 17.68 0 -1 898338.8 0.0 0.0 898338.8 0.0 0.0 898338.8 0.0 0.0 309.2052 35.1 35.1 0 -1 0.0 159363.53 0.0 0.0 159363.53 0.0 0.0 159363.53 0.0 445.0944 33.89 33.89 0 -1 13818.062 0.0 0.0 13818.062 0.0 0.0 13818.062 0.0 0.0 341.1954 27.01 27.01 0 -1 0.0 0.0 165629.89 0.0 0.0 165629.89 0.0 0.0 165629.89 577.2691 39.18 39.18 0 -1 72457.81 177003.48 122008.55 72457.81 177003.48 122008.55 72457.81 177003.48 122008.55 167.0344 6.11 6.11 0 -1 65219.133 0.0 0.0 65219.133 0.0 0.0 65219.133 0.0 0.0 537.1027 6.99 6.99 0 -1 47636.805 0.0 0.0 47636.805 0.0 0.0 47636.805 0.0 0.0 417.2101 10.48 10.48 0 -1 85945.83 0.0 0.0 85945.83 0.0 0.0 85945.83 0.0 0.0 377.1942 35.14 35.14 0 -1 0.0 0.0 60039.97 0.0 0.0 60039.97 0.0 0.0 60039.97 339.0504 8.52 8.52 0 -1 0.0 52439.04 0.0 0.0 52439.04 0.0 0.0 52439.04 0.0 595.1389 8.76 8.76 0 -1 49312.945 0.0 0.0 49312.945 0.0 0.0 49312.945 0.0 0.0 667.3898 26.79 26.79 0 -1 28585.723 0.0 0.0 28585.723 0.0 0.0 28585.723 0.0 0.0 557.3036 22.97 22.97 0 -1 0.0 0.0 101209.445 0.0 0.0 101209.445 0.0 0.0 101209.445 309.1865 36.21 36.21 0 -1 65708.13 0.0 0.0 65708.13 0.0 0.0 65708.13 0.0 0.0 213.1116 30.22 30.22 0 -1 37526.55 0.0 0.0 37526.55 0.0 0.0 37526.55 0.0 0.0 513.2516 5.08 5.08 0 -1 0.0 0.0 59228.656 0.0 0.0 59228.656 0.0 0.0 59228.656 761.107 26.55 26.55 0 -1 68254.46 0.0 0.0 68254.46 0.0 0.0 68254.46 0.0 0.0 509.293 16.65 16.65 0 -1 0.0 0.0 128693.63 0.0 0.0 128693.63 0.0 0.0 128693.63 537.283 20.58 20.58 0 -1 0.0 47358.363 125509.38 0.0 47358.363 125509.38 0.0 47358.363 125509.38 287.1856 34.97 34.97 0 -1 Massbank:PR311099 Camptothecin O=C2OCC=1C(=O)N4C(=CC=1C2(O)CC)C3=NC=5C=CC=CC=5(C=C3C4) 1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3 314964.72 0.0 178800.1 314964.72 0.0 178800.1 314964.72 0.0 178800.1 293.211 39.31 39.31 0 -1 0.0 0.0 95666.05 0.0 0.0 95666.05 0.0 0.0 95666.05 607.2021 19.54 19.54 0 -1 38773.195 0.0 189711.7 38773.195 0.0 189711.7 38773.195 0.0 189711.7 521.2013 6.44 6.44 0 -1 Massbank:PR307949 Lariciresinol COC1=C(O)C=CC(CC2COC(C2CO)C2=CC(OC)=C(O)C=C2)=C1 1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3 187480.38 0.0 0.0 187480.38 0.0 0.0 187480.38 0.0 0.0 625.1399 7.54 7.54 0 -1 74270.414 0.0 0.0 74270.414 0.0 0.0 74270.414 0.0 0.0 667.3871 28.33 28.33 0 -1 0.0 0.0 108923.97 0.0 0.0 108923.97 0.0 0.0 108923.97 597.1735 19.58 19.58 0 -1 871966.25 0.0 0.0 871966.25 0.0 0.0 871966.25 0.0 0.0 512.2959 32.46 32.46 0 -1 54533.594 0.0 0.0 54533.594 0.0 0.0 54533.594 0.0 0.0 345.2245 21.05 21.05 0 -1 43355.508 0.0 0.0 43355.508 0.0 0.0 43355.508 0.0 0.0 519.3113 31.52 31.52 0 -1 173045.39 0.0 0.0 173045.39 0.0 0.0 173045.39 0.0 0.0 426.2852 39.85 39.85 0 -1 0.0 74892.25 0.0 0.0 74892.25 0.0 0.0 74892.25 0.0 555.1632 12.02 12.02 0 -1 0.0 74391.56 0.0 0.0 74391.56 0.0 0.0 74391.56 0.0 242.996 28.44 28.44 0 -1 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 197.046 2.25 2.25 0 -1 0.0 46698.97 0.0 0.0 46698.97 0.0 0.0 46698.97 0.0 311.0908 20.45 20.45 0 -1 3386448.0 94605.07 540163.8 3386448.0 94605.07 540163.8 3386448.0 94605.07 540163.8 327.2161 32.88 32.88 0 -1 0.0 178569.11 0.0 0.0 178569.11 0.0 0.0 178569.11 0.0 740.1304 27.33 27.33 0 -1 0.0 0.0 80270.96 0.0 0.0 80270.96 0.0 0.0 80270.96 609.2159 19.83 19.83 0 -1 253251.19 0.0 0.0 253251.19 0.0 0.0 253251.19 0.0 0.0 195.8105 3.27 3.27 0 -1 0.0 38578.824 253255.67 0.0 38578.824 253255.67 0.0 38578.824 253255.67 305.1742 36.03 36.03 0 -1 54605.65 0.0 0.0 54605.65 0.0 0.0 54605.65 0.0 0.0 347.2417 20.26 20.26 0 -1 0.0 277490.44 0.0 0.0 277490.44 0.0 0.0 277490.44 0.0 617.1974 7.8 7.8 0 -1 0.0 62226.78 0.0 0.0 62226.78 0.0 0.0 62226.78 0.0 226.9644 1.15 1.15 0 -1 64779.344 0.0 0.0 64779.344 0.0 0.0 64779.344 0.0 0.0 557.1756 6.41 6.41 0 -1 0.0 56560.016 94477.88 0.0 56560.016 94477.88 0.0 56560.016 94477.88 519.0927 26.64 26.64 0 -1 0.0 0.0 183751.02 0.0 0.0 183751.02 0.0 0.0 183751.02 313.2377 34.49 34.49 0 -1 0.0 166742.45 0.0 0.0 166742.45 0.0 0.0 166742.45 0.0 285.2071 38.05 38.05 0 -1 0.0 0.0 264508.3 0.0 0.0 264508.3 0.0 0.0 264508.3 597.1748 20.16 20.16 0 -1 101592.68 0.0 0.0 101592.68 0.0 0.0 101592.68 0.0 0.0 345.181 35.1 35.1 0 -1 0.0 22225.732 0.0 0.0 22225.732 0.0 0.0 22225.732 0.0 405.1654 8.09 8.09 0 -1 480869.6 0.0 86734.3 480869.6 0.0 86734.3 480869.6 0.0 86734.3 309.2052 35.83 35.83 0 -1 82238.94 0.0 0.0 82238.94 0.0 0.0 82238.94 0.0 0.0 595.1692 5.81 5.81 0 -1 108727.01 0.0 124719.82 108727.01 0.0 124719.82 108727.01 0.0 124719.82 967.5625 39.01 39.01 0 -1 0.0 185427.05 143735.53 0.0 185427.05 143735.53 0.0 185427.05 143735.53 144.0445 11.75 11.75 0 -1 118261.875 0.0 0.0 118261.875 0.0 0.0 118261.875 0.0 0.0 381.2253 37.15 37.15 0 -1 0.0 0.0 38840.777 0.0 0.0 38840.777 0.0 0.0 38840.777 577.2844 29.92 29.92 0 -1 0.0 0.0 33966.72 0.0 0.0 33966.72 0.0 0.0 33966.72 415.1066 23.28 23.28 0 -1 Isochlorogenic acid A O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 0.0 0.0 51006.43 0.0 0.0 51006.43 0.0 0.0 51006.43 321.1338 32.86 32.86 0 -1 0.0 0.0 90823.836 0.0 0.0 90823.836 0.0 0.0 90823.836 533.3286 34.37 34.37 0 -1 0.0 0.0 59591.51 0.0 0.0 59591.51 0.0 0.0 59591.51 673.3539 29.67 29.67 0 -1 0.0 0.0 84330.78 0.0 0.0 84330.78 0.0 0.0 84330.78 967.7431 39.9 39.9 0 -1 0.0 0.0 65350.84 0.0 0.0 65350.84 0.0 0.0 65350.84 799.2638 13.03 13.03 0 -1 30925.42 0.0 0.0 30925.42 0.0 0.0 30925.42 0.0 0.0 557.3025 20.96 20.96 0 -1 0.0 28117.424 0.0 0.0 28117.424 0.0 0.0 28117.424 0.0 515.2943 24.04 24.04 0 -1 0.0 0.0 142839.45 0.0 0.0 142839.45 0.0 0.0 142839.45 447.3308 34.02 34.02 0 -1 0.0 121131.14 0.0 0.0 121131.14 0.0 0.0 121131.14 0.0 551.2103 9.18 9.18 0 -1 93529.15 0.0 0.0 93529.15 0.0 0.0 93529.15 0.0 0.0 476.3198 35.6 35.6 0 -1 84273.086 0.0 0.0 84273.086 0.0 0.0 84273.086 0.0 0.0 439.2762 32.54 32.54 0 -1 0.0 130091.66 320836.4 0.0 130091.66 320836.4 0.0 130091.66 320836.4 559.0842 21.77 21.77 0 -1 67571.48 0.0 0.0 67571.48 0.0 0.0 67571.48 0.0 0.0 669.4024 23.61 23.61 0 -1 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1 0.0 41146.22 0.0 0.0 41146.22 0.0 0.0 41146.22 0.0 397.1132 20.27 20.27 0 -1 gentisic acid 5-O-beta-glucoside O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 0.0 52762.633 0.0 0.0 52762.633 0.0 0.0 52762.633 0.0 649.392 31.39 31.39 0 -1 547135.7 669056.06 941369.94 547135.7 669056.06 941369.94 547135.7 669056.06 941369.94 179.0334 4.26 4.26 0 -1 0.0 102553.25 0.0 0.0 102553.25 0.0 0.0 102553.25 0.0 705.3771 29.72 29.72 0 -1 300174.16 0.0 0.0 300174.16 0.0 0.0 300174.16 0.0 0.0 639.2989 30.09 30.09 0 -1 3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C[C@]12CC[C@H](OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C[C@@H]1CC[C@@H]1C2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18-,19+,20?,21+,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34+,35-/m0/s1 108790.99 0.0 0.0 108790.99 0.0 0.0 108790.99 0.0 0.0 707.4565 39.24 39.24 0 -1 0.0 73364.016 0.0 0.0 73364.016 0.0 0.0 73364.016 0.0 691.1853 14.94 14.94 0 -1 61712.062 0.0 0.0 61712.062 0.0 0.0 61712.062 0.0 0.0 587.1886 6.95 6.95 0 -1 0.0 0.0 158599.39 0.0 0.0 158599.39 0.0 0.0 158599.39 453.2242 15.08 15.08 0 -1 43011.523 0.0 0.0 43011.523 0.0 0.0 43011.523 0.0 0.0 437.2285 30.43 30.43 0 -1 134013.89 0.0 0.0 134013.89 0.0 0.0 134013.89 0.0 0.0 421.164 2.77 2.77 0 -1 206055.17 0.0 0.0 206055.17 0.0 0.0 206055.17 0.0 0.0 595.1668 6.27 6.27 0 -1 neoeriocitrin C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 0.0 0.0 695819.25 0.0 0.0 695819.25 0.0 0.0 695819.25 161.0828 2.66 2.66 0 -1 0.0 37301.883 108464.414 0.0 37301.883 108464.414 0.0 37301.883 108464.414 271.1907 37.24 37.24 0 -1 0.0 30691.293 0.0 0.0 30691.293 0.0 0.0 30691.293 0.0 199.0959 19.71 19.71 0 -1 0.0 0.0 4225913.5 0.0 0.0 4225913.5 0.0 0.0 4225913.5 219.088 2.74 2.74 0 -1 0.0 0.0 75797.1 0.0 0.0 75797.1 0.0 0.0 75797.1 521.2844 32.65 32.65 0 -1 0.0 53674.645 621020.9 0.0 53674.645 621020.9 0.0 53674.645 621020.9 349.2129 36.2 36.2 0 -1 71726.16 29821.16 0.0 71726.16 29821.16 0.0 71726.16 29821.16 0.0 356.2423 35.27 35.27 0 -1 0.0 0.0 123630.3 0.0 0.0 123630.3 0.0 0.0 123630.3 194.0809 36.32 36.32 0 -1 ID-8 COc1ccc(-n2c(C)c([N+](=O)[O-])c3c2cc(O)cc3)cc1 InChI=1S/C16H14N2O4/c1-10-16(18(20)21)14-8-5-12(19)9-15(14)17(10)11-3-6-13(22-2)7-4-11/h3-9,19H,1-2H3 0.0 0.0 125566.62 0.0 0.0 125566.62 0.0 0.0 125566.62 493.1474 12.78 12.78 0 -1 0.0 60139.906 0.0 0.0 60139.906 0.0 0.0 60139.906 0.0 761.1077 27.09 27.09 0 -1 0.0 0.0 99324.19 0.0 0.0 99324.19 0.0 0.0 99324.19 521.2012 4.86 4.86 0 -1 0.0 198826.08 0.0 0.0 198826.08 0.0 0.0 198826.08 0.0 581.2202 7.76 7.76 0 -1 119112.0 0.0 0.0 119112.0 0.0 0.0 119112.0 0.0 0.0 440.2979 34.3 34.3 0 -1 Massbank:RP029713 N-Oleyl-Leucine|N-oleoyl leucine|(2S)-4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O 1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)(H,27,28)/b12-11-/t22-/m0/s1 299578.4 0.0 361293.4 299578.4 0.0 361293.4 299578.4 0.0 361293.4 837.4107 35.77 35.77 0 -1 0.0 291174.7 0.0 0.0 291174.7 0.0 0.0 291174.7 0.0 764.2117 13.65 13.65 0 -1 93985.86 0.0 0.0 93985.86 0.0 0.0 93985.86 0.0 0.0 311.2221 36.98 36.98 0 -1 67503.48 0.0 0.0 67503.48 0.0 0.0 67503.48 0.0 0.0 667.3852 30.05 30.05 0 -1 0.0 35007.727 0.0 0.0 35007.727 0.0 0.0 35007.727 0.0 221.0941 36.58 36.58 0 -1 0.0 67379.23 0.0 0.0 67379.23 0.0 0.0 67379.23 0.0 831.1946 13.65 13.65 0 -1 52748.594 29442.809 0.0 52748.594 29442.809 0.0 52748.594 29442.809 0.0 309.0963 6.32 6.32 0 -1 Massbank:PR305564 3-Hydroxycinnamic acid OC(=O)C=CC1=CC(O)=CC=C1 1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) 0.0 0.0 384396.97 0.0 0.0 384396.97 0.0 0.0 384396.97 565.1931 6.84 6.84 0 -1 67356.17 0.0 0.0 67356.17 0.0 0.0 67356.17 0.0 0.0 385.1733 31.35 31.35 0 -1 Tsangane L 3-glucoside 0.0 0.0 83560.25 0.0 0.0 83560.25 0.0 0.0 83560.25 695.2165 30.56 30.56 0 -1 32719.523 0.0 0.0 32719.523 0.0 0.0 32719.523 0.0 0.0 283.0236 28.87 28.87 0 -1 luteolin O=c1cc(-c2cc(O)c(O)cc2)oc2cc(O)cc(O)c12 InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H 54952.547 40705.645 0.0 54952.547 40705.645 0.0 54952.547 40705.645 0.0 188.0352 4.82 4.82 0 -1 3-Hydroxyphenylacetic acid CollisionEnergy:205060 O=C(O)Cc1cccc(O)c1 "InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)" 0.0 21166.824 0.0 0.0 21166.824 0.0 0.0 21166.824 0.0 487.1226 23.0 23.0 0 -1 23775.049 0.0 0.0 23775.049 0.0 0.0 23775.049 0.0 0.0 971.3484 23.37 23.37 0 -1 125795.92 0.0 61631.594 125795.92 0.0 61631.594 125795.92 0.0 61631.594 375.1791 34.85 34.85 0 -1 78180.88 137606.06 0.0 78180.88 137606.06 0.0 78180.88 137606.06 0.0 365.231 39.64 39.64 0 -1 0.0 0.0 55342.773 0.0 0.0 55342.773 0.0 0.0 55342.773 733.1596 30.04 30.04 0 -1 0.0 0.0 128568.05 0.0 0.0 128568.05 0.0 0.0 128568.05 551.1175 27.82 27.82 0 -1 0.0 0.0 105164.625 0.0 0.0 105164.625 0.0 0.0 105164.625 695.2153 31.93 31.93 0 -1 50883.13 0.0 0.0 50883.13 0.0 0.0 50883.13 0.0 0.0 813.4497 32.14 32.14 0 -1 85575.34 0.0 0.0 85575.34 0.0 0.0 85575.34 0.0 0.0 273.1501 37.72 37.72 0 -1 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid CC(C)=CCc1cc(C(=O)O)ccc1O InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) 0.0 0.0 179928.89 0.0 0.0 179928.89 0.0 0.0 179928.89 417.0819 16.2 16.2 0 -1 0.0 0.0 241860.55 0.0 0.0 241860.55 0.0 0.0 241860.55 713.3495 37.38 37.38 0 -1 79030.66 0.0 0.0 79030.66 0.0 0.0 79030.66 0.0 0.0 449.2311 37.56 37.56 0 -1 0.0 258923.4 0.0 0.0 258923.4 0.0 0.0 258923.4 0.0 769.1704 19.1 19.1 0 -1 0.0 393905.44 0.0 0.0 393905.44 0.0 0.0 393905.44 0.0 471.0734 1.5 1.5 0 -1 alpha,alpha-Trehalose - 40.0 eV C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 0.0 47082.633 0.0 0.0 47082.633 0.0 0.0 47082.633 0.0 727.1628 14.9 14.9 0 -1 0.0 0.0 206235.11 0.0 0.0 206235.11 0.0 0.0 206235.11 327.2159 31.93 31.93 0 -1 0.0 0.0 80430.76 0.0 0.0 80430.76 0.0 0.0 80430.76 537.6057 25.52 25.52 0 -1 0.0 0.0 99528.0 0.0 0.0 99528.0 0.0 0.0 99528.0 405.1582 14.26 14.26 0 -1 0.0 80981.2 0.0 0.0 80981.2 0.0 0.0 80981.2 0.0 230.0999 4.3 4.3 0 -1 0.0 0.0 62185.727 0.0 0.0 62185.727 0.0 0.0 62185.727 595.2948 14.21 14.21 0 -1 0.0 80088.11 0.0 0.0 80088.11 0.0 0.0 80088.11 0.0 609.1436 10.21 10.21 0 -1 0.0 36520.78 0.0 0.0 36520.78 0.0 0.0 36520.78 0.0 765.316 31.3 31.3 0 -1 0.0 1086498.6 210715.31 0.0 1086498.6 210715.31 0.0 1086498.6 210715.31 297.2432 39.63 39.63 0 -1 571320.44 0.0 0.0 571320.44 0.0 0.0 571320.44 0.0 0.0 341.2314 34.04 34.04 0 -1 0.0 0.0 167556.1 0.0 0.0 167556.1 0.0 0.0 167556.1 309.2058 34.29 34.29 0 -1 0.0 0.0 47433.723 0.0 0.0 47433.723 0.0 0.0 47433.723 587.1893 8.98 8.98 0 -1 66420.37 0.0 0.0 66420.37 0.0 0.0 66420.37 0.0 0.0 547.3128 37.84 37.84 0 -1 0.0 31839.328 0.0 0.0 31839.328 0.0 0.0 31839.328 0.0 347.0328 14.31 14.31 0 -1 0.0 0.0 68098.766 0.0 0.0 68098.766 0.0 0.0 68098.766 579.1774 11.56 11.56 0 -1 0.0 47851.883 88503.77 0.0 47851.883 88503.77 0.0 47851.883 88503.77 409.0694 25.63 25.63 0 -1 Xanthopterin N=c1nc(O)c2[nH]c(=O)cnc2[nH]1 InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) 61761.09 0.0 0.0 61761.09 0.0 0.0 61761.09 0.0 0.0 353.148 17.03 17.03 0 -1 2-(4-HYDROXYPHENYL)PROPIONIC ACID CC(C1=CC=C(C=C1)O)C(=O)O "InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)" 0.0 0.0 73024.17 0.0 0.0 73024.17 0.0 0.0 73024.17 431.2269 33.89 33.89 0 -1 0.0 0.0 126156.484 0.0 0.0 126156.484 0.0 0.0 126156.484 599.1831 19.79 19.79 0 -1 0.0 98940.16 0.0 0.0 98940.16 0.0 0.0 98940.16 0.0 505.1097 29.14 29.14 0 -1 0.0 73846.26 0.0 0.0 73846.26 0.0 0.0 73846.26 0.0 325.2019 35.27 35.27 0 -1 0.0 30437.154 0.0 0.0 30437.154 0.0 0.0 30437.154 0.0 455.1028 12.43 12.43 0 -1 49038.45 43843.51 0.0 49038.45 43843.51 0.0 49038.45 43843.51 0.0 345.2275 32.11 32.11 0 -1 38502.785 0.0 0.0 38502.785 0.0 0.0 38502.785 0.0 0.0 421.2 24.12 24.12 0 -1 82254.88 0.0 0.0 82254.88 0.0 0.0 82254.88 0.0 0.0 308.222 37.48 37.48 0 -1 0.0 0.0 202246.2 0.0 0.0 202246.2 0.0 0.0 202246.2 537.2083 6.68 6.68 0 -1 0.0 84989.85 0.0 0.0 84989.85 0.0 0.0 84989.85 0.0 313.2386 34.85 34.85 0 -1 0.0 0.0 52458.645 0.0 0.0 52458.645 0.0 0.0 52458.645 287.1484 30.47 30.47 0 -1 0.0 0.0 110426.79 0.0 0.0 110426.79 0.0 0.0 110426.79 562.3138 36.57 36.57 0 -1 0.0 93828.56 0.0 0.0 93828.56 0.0 0.0 93828.56 0.0 323.1865 36.77 36.77 0 -1 125252.5 0.0 0.0 125252.5 0.0 0.0 125252.5 0.0 0.0 699.3815 37.48 37.48 0 -1 0.0 0.0 117442.195 0.0 0.0 117442.195 0.0 0.0 117442.195 756.2425 8.28 8.28 0 -1 319159.1 0.0 712644.7 319159.1 0.0 712644.7 319159.1 0.0 712644.7 549.2834 37.93 37.93 0 -1 106521.27 0.0 0.0 106521.27 0.0 0.0 106521.27 0.0 0.0 543.2798 36.04 36.04 0 -1 32263.738 0.0 0.0 32263.738 0.0 0.0 32263.738 0.0 0.0 257.1376 29.27 29.27 0 -1 0.0 0.0 91288.05 0.0 0.0 91288.05 0.0 0.0 91288.05 565.1933 5.54 5.54 0 -1 48897.61 0.0 0.0 48897.61 0.0 0.0 48897.61 0.0 0.0 583.2466 19.44 19.44 0 -1 148436.16 0.0 0.0 148436.16 0.0 0.0 148436.16 0.0 0.0 195.8113 2.73 2.73 0 -1 0.0 64322.938 0.0 0.0 64322.938 0.0 0.0 64322.938 0.0 519.0927 26.93 26.93 0 -1 0.0 0.0 601554.94 0.0 0.0 601554.94 0.0 0.0 601554.94 135.0304 1.76 1.76 0 -1 68721.805 0.0 0.0 68721.805 0.0 0.0 68721.805 0.0 0.0 263.1265 19.09 19.09 0 -1 0.0 0.0 73402.23 0.0 0.0 73402.23 0.0 0.0 73402.23 617.2006 7.91 7.91 0 -1 134808.4 89716.74 172754.28 134808.4 89716.74 172754.28 134808.4 89716.74 172754.28 163.039 7.78 7.78 0 -1 113045.336 0.0 0.0 113045.336 0.0 0.0 113045.336 0.0 0.0 343.0805 24.27 24.27 0 -1 0.0 339953.06 0.0 0.0 339953.06 0.0 0.0 339953.06 0.0 551.1203 28.36 28.36 0 -1 157049.02 0.0 149029.44 157049.02 0.0 149029.44 157049.02 0.0 149029.44 541.3115 30.39 30.39 0 -1 0.0 0.0 360223.1 0.0 0.0 360223.1 0.0 0.0 360223.1 311.2222 38.63 38.63 0 -1 0.0 0.0 132697.08 0.0 0.0 132697.08 0.0 0.0 132697.08 580.3256 34.53 34.53 0 -1 0.0 0.0 1046952.4 0.0 0.0 1046952.4 0.0 0.0 1046952.4 170.0812 1.47 1.47 0 -1 0.0 61650.332 0.0 0.0 61650.332 0.0 0.0 61650.332 0.0 229.1439 33.52 33.52 0 -1 0.0 60641.65 0.0 0.0 60641.65 0.0 0.0 60641.65 0.0 525.102 7.64 7.64 0 -1 0.0 35599.39 0.0 0.0 35599.39 0.0 0.0 35599.39 0.0 195.0291 11.86 11.86 0 -1 0.0 70599.03 0.0 0.0 70599.03 0.0 0.0 70599.03 0.0 687.3723 33.6 33.6 0 -1 0.0 0.0 71757.61 0.0 0.0 71757.61 0.0 0.0 71757.61 339.0508 8.85 8.85 0 -1 47233.785 0.0 0.0 47233.785 0.0 0.0 47233.785 0.0 0.0 609.2143 20.65 20.65 0 -1 0.0 0.0 115644.95 0.0 0.0 115644.95 0.0 0.0 115644.95 669.2909 35.97 35.97 0 -1 0.0 219999.52 0.0 0.0 219999.52 0.0 0.0 219999.52 0.0 343.2106 16.29 16.29 0 -1 0.0 92402.38 0.0 0.0 92402.38 0.0 0.0 92402.38 0.0 383.1601 18.05 18.05 0 -1 32009.258 124951.68 187129.03 32009.258 124951.68 187129.03 32009.258 124951.68 187129.03 373.0924 25.61 25.61 0 -1 101208.61 0.0 0.0 101208.61 0.0 0.0 101208.61 0.0 0.0 579.3381 38.76 38.76 0 -1 0.0 96441.664 65361.21 0.0 96441.664 65361.21 0.0 96441.664 65361.21 871.1461 29.34 29.34 0 -1 0.0 0.0 80352.06 0.0 0.0 80352.06 0.0 0.0 80352.06 861.4461 35.4 35.4 0 -1 0.0 52312.91 0.0 0.0 52312.91 0.0 0.0 52312.91 0.0 587.186 7.17 7.17 0 -1 83673.32 0.0 0.0 83673.32 0.0 0.0 83673.32 0.0 0.0 191.0557 3.43 3.43 0 -1 282789.4 152032.78 0.0 282789.4 152032.78 0.0 282789.4 152032.78 0.0 311.2218 35.84 35.84 0 -1 0.0 21320.166 0.0 0.0 21320.166 0.0 0.0 21320.166 0.0 164.9265 0.82 0.82 0 -1 0.0 0.0 183703.45 0.0 0.0 183703.45 0.0 0.0 183703.45 559.0862 21.18 21.18 0 -1 0.0 50414.367 0.0 0.0 50414.367 0.0 0.0 50414.367 0.0 651.153 30.24 30.24 0 -1 0.0 0.0 87085.73 0.0 0.0 87085.73 0.0 0.0 87085.73 728.1307 16.97 16.97 0 -1 0.0 0.0 86323.03 0.0 0.0 86323.03 0.0 0.0 86323.03 367.221 32.26 32.26 0 -1 0.0 0.0 272957.38 0.0 0.0 272957.38 0.0 0.0 272957.38 539.2245 8.85 8.85 0 -1 0.0 260738.19 0.0 0.0 260738.19 0.0 0.0 260738.19 0.0 187.0964 13.32 13.32 0 -1 0.0 0.0 51114.22 0.0 0.0 51114.22 0.0 0.0 51114.22 673.3516 30.6 30.6 0 -1 81604.266 0.0 0.0 81604.266 0.0 0.0 81604.266 0.0 0.0 524.295 34.04 34.04 0 -1 56120.824 0.0 0.0 56120.824 0.0 0.0 56120.824 0.0 0.0 491.2412 35.22 35.22 0 -1 0.0 0.0 204429.94 0.0 0.0 204429.94 0.0 0.0 204429.94 203.0915 5.1 5.1 0 -1 57360.29 0.0 0.0 57360.29 0.0 0.0 57360.29 0.0 0.0 224.0913 11.29 11.29 0 -1 190822.64 64851.652 87289.23 190822.64 64851.652 87289.23 190822.64 64851.652 87289.23 329.2322 34.06 34.06 0 -1 0.0 0.0 159861.44 0.0 0.0 159861.44 0.0 0.0 159861.44 492.1995 4.17 4.17 0 -1 47727.707 0.0 0.0 47727.707 0.0 0.0 47727.707 0.0 0.0 489.2681 29.79 29.79 0 -1 145062.73 0.0 0.0 145062.73 0.0 0.0 145062.73 0.0 0.0 721.3625 36.27 36.27 0 -1 Massbank:PR309171 DGMG 18:3 O=C(OCC(O)COC2OC(COC1OC(CO)C(O)C(O)C1(O))C(O)C(O)C2(O))CCCCCCCC=CCC=CCC=CCC 1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3 0.0 111400.54 0.0 0.0 111400.54 0.0 0.0 111400.54 0.0 555.1638 13.37 13.37 0 -1 0.0 50123.19 0.0 0.0 50123.19 0.0 0.0 50123.19 0.0 313.2369 38.22 38.22 0 -1 0.0 88400.48 0.0 0.0 88400.48 0.0 0.0 88400.48 0.0 174.0545 7.21 7.21 0 -1 84617.82 0.0 0.0 84617.82 0.0 0.0 84617.82 0.0 0.0 161.0229 18.04 18.04 0 -1 0.0 67171.02 0.0 0.0 67171.02 0.0 0.0 67171.02 0.0 303.893 4.26 4.26 0 -1 103532.625 42137.484 0.0 103532.625 42137.484 0.0 103532.625 42137.484 0.0 360.2738 36.48 36.48 0 -1 146028.98 0.0 0.0 146028.98 0.0 0.0 146028.98 0.0 0.0 541.3105 31.61 31.61 0 -1 16836.564 0.0 0.0 16836.564 0.0 0.0 16836.564 0.0 0.0 655.3477 24.57 24.57 0 -1 68641.25 0.0 0.0 68641.25 0.0 0.0 68641.25 0.0 0.0 428.297 33.02 33.02 0 -1 0.0 30338.64 0.0 0.0 30338.64 0.0 0.0 30338.64 0.0 365.079 19.89 19.89 0 -1 0.0 80026.17 0.0 0.0 80026.17 0.0 0.0 80026.17 0.0 687.5775 39.76 39.76 0 -1 147949.27 164863.56 0.0 147949.27 164863.56 0.0 147949.27 164863.56 0.0 193.0491 14.74 14.74 0 -1 Vanillic acid 40eV COC1=C(C=CC(=C1)C(=O)O)O WKOLLVMJNQIZCI-UHFFFAOYSA-N 0.0 61359.75 48153.37 0.0 61359.75 48153.37 0.0 61359.75 48153.37 243.1227 15.4 15.4 0 -1 0.0 40898.047 0.0 0.0 40898.047 0.0 0.0 40898.047 0.0 410.3262 39.89 39.89 0 -1 Ile/Leu-CDCA C[C@H](CCC(N[C@H](C(O)=O)C(C)CC)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C30H51NO5/c1-6-17(2)27(28(35)36)31-25(34)10-7-18(3)21-8-9-22-26-23(12-14-30(21,22)5)29(4)13-11-20(32)15-19(29)16-24(26)33/h17-24,26-27,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t17?,18-,19+,20-,21-,22+,23+,24-,26+,27?,29+,30-/m1/s1 0.0 137110.84 0.0 0.0 137110.84 0.0 0.0 137110.84 0.0 174.0547 7.76 7.76 0 -1 0.0 118904.734 0.0 0.0 118904.734 0.0 0.0 118904.734 0.0 689.3886 33.09 33.09 0 -1 116199.42 0.0 0.0 116199.42 0.0 0.0 116199.42 0.0 0.0 579.3382 39.04 39.04 0 -1 0.0 120655.21 0.0 0.0 120655.21 0.0 0.0 120655.21 0.0 158.0793 4.09 4.09 0 -1 80316.64 0.0 0.0 80316.64 0.0 0.0 80316.64 0.0 0.0 569.2347 6.86 6.86 0 -1 18148.064 0.0 0.0 18148.064 0.0 0.0 18148.064 0.0 0.0 102.9568 0.44 0.44 0 -1 67423.12 0.0 0.0 67423.12 0.0 0.0 67423.12 0.0 0.0 703.366 26.84 26.84 0 -1 0.0 43888.938 0.0 0.0 43888.938 0.0 0.0 43888.938 0.0 539.2979 33.7 33.7 0 -1 0.0 0.0 134039.77 0.0 0.0 134039.77 0.0 0.0 134039.77 297.2427 39.14 39.14 0 -1 0.0 0.0 74521.62 0.0 0.0 74521.62 0.0 0.0 74521.62 567.2095 5.42 5.42 0 -1 0.0 38999.777 45322.84 0.0 38999.777 45322.84 0.0 38999.777 45322.84 261.133 10.72 10.72 0 -1 75434.914 0.0 0.0 75434.914 0.0 0.0 75434.914 0.0 0.0 629.2391 15.25 15.25 0 -1 110315.984 102917.22 0.0 110315.984 102917.22 0.0 110315.984 102917.22 0.0 243.1219 15.96 15.96 0 -1 0.0 0.0 126211.8 0.0 0.0 126211.8 0.0 0.0 126211.8 487.0656 32.14 32.14 0 -1 259130.6 0.0 0.0 259130.6 0.0 0.0 259130.6 0.0 0.0 763.2028 13.54 13.54 0 -1 0.0 0.0 105839.01 0.0 0.0 105839.01 0.0 0.0 105839.01 693.1668 30.82 30.82 0 -1 0.0 0.0 43538.13 0.0 0.0 43538.13 0.0 0.0 43538.13 909.1905 23.1 23.1 0 -1 0.0 30963.002 0.0 0.0 30963.002 0.0 0.0 30963.002 0.0 637.4007 36.88 36.88 0 -1 14731.006 0.0 0.0 14731.006 0.0 0.0 14731.006 0.0 0.0 466.1726 24.62 24.62 0 -1 80550.27 0.0 0.0 80550.27 0.0 0.0 80550.27 0.0 0.0 331.2036 39.53 39.53 0 -1 0.0 31915.078 0.0 0.0 31915.078 0.0 0.0 31915.078 0.0 361.1006 14.21 14.21 0 -1 Massbank:PR309377 trans-Caffeic acid O=C(O)C=CC1=CC=C(O)C(O)=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) 172097.83 100675.54 143605.42 172097.83 100675.54 143605.42 172097.83 100675.54 143605.42 397.2193 32.42 32.42 0 -1 240347.17 0.0 0.0 240347.17 0.0 0.0 240347.17 0.0 0.0 297.1231 32.06 32.06 0 -1 0.0 42736.12 0.0 0.0 42736.12 0.0 0.0 42736.12 0.0 385.2237 33.89 33.89 0 -1 55174.434 0.0 0.0 55174.434 0.0 0.0 55174.434 0.0 0.0 379.1045 4.62 4.62 0 -1 33954.242 0.0 0.0 33954.242 0.0 0.0 33954.242 0.0 0.0 557.3043 22.46 22.46 0 -1 630826.3 0.0 1340630.1 630826.3 0.0 1340630.1 630826.3 0.0 1340630.1 711.3351 36.58 36.58 0 -1 0.0 54843.016 282426.4 0.0 54843.016 282426.4 0.0 54843.016 282426.4 535.0872 21.74 21.74 0 -1 0.0 0.0 131317.06 0.0 0.0 131317.06 0.0 0.0 131317.06 385.092 30.52 30.52 0 -1 0.0 166221.58 297022.94 0.0 166221.58 297022.94 0.0 166221.58 297022.94 311.2215 36.16 36.16 0 -1 26667.906 35374.496 0.0 26667.906 35374.496 0.0 26667.906 35374.496 0.0 231.1223 12.74 12.74 0 -1 16710.428 0.0 0.0 16710.428 0.0 0.0 16710.428 0.0 0.0 341.196 27.34 27.34 0 -1 140572.27 0.0 0.0 140572.27 0.0 0.0 140572.27 0.0 0.0 703.3633 28.33 28.33 0 -1 0.0 44168.156 0.0 0.0 44168.156 0.0 0.0 44168.156 0.0 197.8064 10.97 10.97 0 -1 110305.04 0.0 0.0 110305.04 0.0 0.0 110305.04 0.0 0.0 705.3751 28.24 28.24 0 -1 0.0 109014.02 0.0 0.0 109014.02 0.0 0.0 109014.02 0.0 343.2108 18.99 18.99 0 -1 293255.97 107564.89 155488.67 293255.97 107564.89 155488.67 293255.97 107564.89 155488.67 243.1957 39.1 39.1 0 -1 0.0 0.0 67515.1 0.0 0.0 67515.1 0.0 0.0 67515.1 699.3935 36.77 36.77 0 -1 0.0 67019.87 0.0 0.0 67019.87 0.0 0.0 67019.87 0.0 221.1533 38.85 38.85 0 -1 0.0 50863.91 0.0 0.0 50863.91 0.0 0.0 50863.91 0.0 475.2917 34.57 34.57 0 -1 0.0 0.0 181630.44 0.0 0.0 181630.44 0.0 0.0 181630.44 665.3894 28.06 28.06 0 -1 54845.69 0.0 0.0 54845.69 0.0 0.0 54845.69 0.0 0.0 143.0704 6.06 6.06 0 -1 0.0 0.0 37163.77 0.0 0.0 37163.77 0.0 0.0 37163.77 437.1508 22.51 22.51 0 -1 0.0 0.0 277988.03 0.0 0.0 277988.03 0.0 0.0 277988.03 677.2067 32.58 32.58 0 -1 Massbank:PR305994 Cyanidin-3-O-rutinoside CC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1 17329.107 0.0 0.0 17329.107 0.0 0.0 17329.107 0.0 0.0 795.2645 26.63 26.63 0 -1 0.0 84434.76 0.0 0.0 84434.76 0.0 0.0 84434.76 0.0 383.1612 13.41 13.41 0 -1 0.0 146808.44 0.0 0.0 146808.44 0.0 0.0 146808.44 0.0 343.2115 15.84 15.84 0 -1 175449.75 48413.95 387062.62 175449.75 48413.95 387062.62 175449.75 48413.95 387062.62 287.221 33.25 33.25 0 -1 0.0 0.0 81862.7 0.0 0.0 81862.7 0.0 0.0 81862.7 537.2828 22.73 22.73 0 -1 0.0 0.0 78204.125 0.0 0.0 78204.125 0.0 0.0 78204.125 287.1488 13.45 13.45 0 -1 23763.205 0.0 0.0 23763.205 0.0 0.0 23763.205 0.0 0.0 632.3148 27.76 27.76 0 -1 40866.04 0.0 0.0 40866.04 0.0 0.0 40866.04 0.0 0.0 583.2174 23.8 23.8 0 -1 Massbank:AU259905 Isoxaben|2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) 37279.97 0.0 0.0 37279.97 0.0 0.0 37279.97 0.0 0.0 535.1431 20.81 20.81 0 -1 3,5-Di-caffeoylquinic acid 142247.23 0.0 238522.33 142247.23 0.0 238522.33 142247.23 0.0 238522.33 363.1919 31.02 31.02 0 -1 0.0 74562.93 0.0 0.0 74562.93 0.0 0.0 74562.93 0.0 365.078 20.49 20.49 0 -1 0.0 30287.016 0.0 0.0 30287.016 0.0 0.0 30287.016 0.0 269.2111 39.94 39.94 0 -1 97512.18 0.0 0.0 97512.18 0.0 0.0 97512.18 0.0 0.0 361.176 32.69 32.69 0 -1 105194.73 0.0 0.0 105194.73 0.0 0.0 105194.73 0.0 0.0 569.1758 20.31 20.31 0 -1 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 128.959 1.33 1.33 0 -1 0.0 0.0 14318.794 0.0 0.0 14318.794 0.0 0.0 14318.794 242.9432 0.11 0.11 0 -1 0.0 58542.02 258197.06 0.0 58542.02 258197.06 0.0 58542.02 258197.06 565.1362 32.91 32.91 0 -1 Salvianolic acid B O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 83642.83 0.0 0.0 83642.83 0.0 0.0 83642.83 0.0 0.0 363.1469 8.03 8.03 0 -1 0.0 55669.312 0.0 0.0 55669.312 0.0 0.0 55669.312 0.0 517.3165 31.84 31.84 0 -1 342834.6 0.0 0.0 342834.6 0.0 0.0 342834.6 0.0 0.0 232.0814 1.22 1.22 0 -1 Phloridzin - 30.0 eV c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 48033.934 104767.52 96852.96 48033.934 104767.52 96852.96 48033.934 104767.52 96852.96 371.0768 6.27 6.27 0 -1 0.0 355112.1 337788.47 0.0 355112.1 337788.47 0.0 355112.1 337788.47 849.1638 29.32 29.32 0 -1 4224918.0 0.0 0.0 4224918.0 0.0 0.0 4224918.0 0.0 0.0 405.1529 2.06 2.06 0 -1 20198.314 22921.758 0.0 20198.314 22921.758 0.0 20198.314 22921.758 0.0 164.9267 0.08 0.08 0 -1 0.0 0.0 137554.83 0.0 0.0 137554.83 0.0 0.0 137554.83 555.163 10.92 10.92 0 -1 36628.902 0.0 0.0 36628.902 0.0 0.0 36628.902 0.0 0.0 431.227 24.12 24.12 0 -1 0.0 304079.22 0.0 0.0 304079.22 0.0 0.0 304079.22 0.0 246.0916 3.94 3.94 0 -1 33769.18 0.0 0.0 33769.18 0.0 0.0 33769.18 0.0 0.0 599.1888 23.07 23.07 0 -1 62217.64 0.0 0.0 62217.64 0.0 0.0 62217.64 0.0 0.0 154.0869 3.55 3.55 0 -1 42537.375 0.0 0.0 42537.375 0.0 0.0 42537.375 0.0 0.0 510.0871 10.68 10.68 0 -1 Luteolin-7,3'-di-O-glucoside - 60eV C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 0.0 37773.695 41384.11 0.0 37773.695 41384.11 0.0 37773.695 41384.11 329.0663 22.61 22.61 0 -1 0.0 0.0 103192.47 0.0 0.0 103192.47 0.0 0.0 103192.47 637.377 29.26 29.26 0 -1 0.0 169672.31 380919.72 0.0 169672.31 380919.72 0.0 169672.31 380919.72 161.0231 17.93 17.93 0 -1 Trans ferulic acid 50612.527 0.0 0.0 50612.527 0.0 0.0 50612.527 0.0 0.0 569.1755 19.85 19.85 0 -1 34304.547 0.0 0.0 34304.547 0.0 0.0 34304.547 0.0 0.0 983.2799 24.95 24.95 0 -1 126210.34 0.0 0.0 126210.34 0.0 0.0 126210.34 0.0 0.0 353.1946 38.96 38.96 0 -1 0.0 0.0 107068.414 0.0 0.0 107068.414 0.0 0.0 107068.414 677.1281 9.87 9.87 0 -1 Massbank:PR307516 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O 1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3 0.0 776050.7 0.0 0.0 776050.7 0.0 0.0 776050.7 0.0 557.1773 9.75 9.75 0 -1 70773.086 61815.18 0.0 70773.086 61815.18 0.0 70773.086 61815.18 0.0 172.0962 4.63 4.63 0 -1 0.0 0.0 60570.07 0.0 0.0 60570.07 0.0 0.0 60570.07 493.2293 23.1 23.1 0 -1 65329.61 0.0 0.0 65329.61 0.0 0.0 65329.61 0.0 0.0 440.301 37.11 37.11 0 -1 0.0 203847.08 0.0 0.0 203847.08 0.0 0.0 203847.08 0.0 380.8411 1.35 1.35 0 -1 48570.375 0.0 0.0 48570.375 0.0 0.0 48570.375 0.0 0.0 759.2831 28.82 28.82 0 -1 100286.664 0.0 52325.496 100286.664 0.0 52325.496 100286.664 0.0 52325.496 543.3264 29.31 29.31 0 -1 0.0 81681.16 0.0 0.0 81681.16 0.0 0.0 81681.16 0.0 173.0802 6.13 6.13 0 -1 0.0 212224.64 0.0 0.0 212224.64 0.0 0.0 212224.64 0.0 799.185 13.69 13.69 0 -1 99486.18 0.0 0.0 99486.18 0.0 0.0 99486.18 0.0 0.0 215.0339 3.12 3.12 0 -1 137252.03 0.0 0.0 137252.03 0.0 0.0 137252.03 0.0 0.0 675.3566 36.27 36.27 0 -1 87097.84 0.0 0.0 87097.84 0.0 0.0 87097.84 0.0 0.0 323.2211 36.47 36.47 0 -1 382839.0 0.0 0.0 382839.0 0.0 0.0 382839.0 0.0 0.0 322.1147 1.48 1.48 0 -1 0.0 0.0 47419.67 0.0 0.0 47419.67 0.0 0.0 47419.67 295.0611 21.67 21.67 0 -1 0.0 0.0 1066166.1 0.0 0.0 1066166.1 0.0 0.0 1066166.1 448.1774 2.23 2.23 0 -1 152284.6 0.0 0.0 152284.6 0.0 0.0 152284.6 0.0 0.0 385.1736 32.9 32.9 0 -1 91005.29 0.0 0.0 91005.29 0.0 0.0 91005.29 0.0 0.0 688.3677 30.74 30.74 0 -1 124634.695 0.0 0.0 124634.695 0.0 0.0 124634.695 0.0 0.0 411.0492 2.85 2.85 0 -1 Neochlorogenic acid O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 0.0 32835.11 0.0 0.0 32835.11 0.0 0.0 32835.11 0.0 291.1227 30.38 30.38 0 -1 0.0 3090579.5 0.0 0.0 3090579.5 0.0 0.0 3090579.5 0.0 133.0153 2.09 2.09 0 -1 0.0 0.0 21994.982 0.0 0.0 21994.982 0.0 0.0 21994.982 102.9567 0.72 0.72 0 -1 0.0 0.0 397162.66 0.0 0.0 397162.66 0.0 0.0 397162.66 216.0866 1.43 1.43 0 -1 0.0 32722.16 0.0 0.0 32722.16 0.0 0.0 32722.16 0.0 211.0242 6.63 6.63 0 -1 0.0 36561.27 0.0 0.0 36561.27 0.0 0.0 36561.27 0.0 195.8093 10.97 10.97 0 -1 0.0 50303.336 0.0 0.0 50303.336 0.0 0.0 50303.336 0.0 599.1883 19.19 19.19 0 -1 0.0 0.0 239481.72 0.0 0.0 239481.72 0.0 0.0 239481.72 606.4865 39.98 39.98 0 -1 0.0 60092.098 0.0 0.0 60092.098 0.0 0.0 60092.098 0.0 577.2202 30.63 30.63 0 -1 33940.2 0.0 0.0 33940.2 0.0 0.0 33940.2 0.0 0.0 373.0927 28.04 28.04 0 -1 0.0 0.0 164504.02 0.0 0.0 164504.02 0.0 0.0 164504.02 313.2373 37.14 37.14 0 -1 Kuwanon C CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 336684.5 164391.02 0.0 336684.5 164391.02 0.0 336684.5 164391.02 0.0 315.2532 38.06 38.06 0 -1 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 191.0564 1.8 1.8 0 -1 42815.984 0.0 0.0 42815.984 0.0 0.0 42815.984 0.0 0.0 382.2552 34.48 34.48 0 -1 O-PHOSPHO-L-SERINE - 60.0 eV N[C@@H](COP(O)(O)=O)C(O)=O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 2942187.2 286994.7 4724996.0 2942187.2 286994.7 4724996.0 2942187.2 286994.7 4724996.0 327.2157 31.03 31.03 0 -1 0.0 45880.926 0.0 0.0 45880.926 0.0 0.0 45880.926 0.0 460.3272 38.17 38.17 0 -1 0.0 0.0 52814.965 0.0 0.0 52814.965 0.0 0.0 52814.965 351.1579 24.47 24.47 0 -1 0.0 0.0 84416.805 0.0 0.0 84416.805 0.0 0.0 84416.805 675.3684 29.84 29.84 0 -1 0.0 142282.02 0.0 0.0 142282.02 0.0 0.0 142282.02 0.0 489.1 21.01 21.01 0 -1 77307-50-7 CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1 0.0 52534.4 0.0 0.0 52534.4 0.0 0.0 52534.4 0.0 188.036 5.22 5.22 0 -1 0.0 96308.56 0.0 0.0 96308.56 0.0 0.0 96308.56 0.0 609.3407 35.66 35.66 0 -1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) 222317.72 0.0 0.0 222317.72 0.0 0.0 222317.72 0.0 0.0 377.0892 2.32 2.32 0 -1 0.0 0.0 35066.715 0.0 0.0 35066.715 0.0 0.0 35066.715 576.1263 26.25 26.25 0 -1 0.0 0.0 151743.3 0.0 0.0 151743.3 0.0 0.0 151743.3 759.1458 35.81 35.81 0 -1 0.0 176749.25 156930.77 0.0 176749.25 156930.77 0.0 176749.25 156930.77 541.3127 31.36 31.36 0 -1 0.0 150950.1 0.0 0.0 150950.1 0.0 0.0 150950.1 0.0 740.1292 27.01 27.01 0 -1 117161.05 0.0 206916.89 117161.05 0.0 206916.89 117161.05 0.0 206916.89 529.2991 34.77 34.77 0 -1 0.0 23266.564 0.0 0.0 23266.564 0.0 0.0 23266.564 0.0 347.1975 37.35 37.35 0 -1 0.0 236962.33 0.0 0.0 236962.33 0.0 0.0 236962.33 0.0 587.1869 9.14 9.14 0 -1 273960.4 0.0 0.0 273960.4 0.0 0.0 273960.4 0.0 0.0 514.3107 33.02 33.02 0 -1 0.0 0.0 73135.234 0.0 0.0 73135.234 0.0 0.0 73135.234 483.2014 23.14 23.14 0 -1 0.0 28575.32 65238.58 0.0 28575.32 65238.58 0.0 28575.32 65238.58 301.2007 33.05 33.05 0 -1 0.0 72758.32 0.0 0.0 72758.32 0.0 0.0 72758.32 0.0 175.0949 4.55 4.55 0 -1 199973.47 0.0 0.0 199973.47 0.0 0.0 199973.47 0.0 0.0 386.2884 36.2 36.2 0 -1 341050.38 0.0 0.0 341050.38 0.0 0.0 341050.38 0.0 0.0 379.2082 36.04 36.04 0 -1 0.0 98657.42 0.0 0.0 98657.42 0.0 0.0 98657.42 0.0 731.1596 30.67 30.67 0 -1 91753.266 0.0 0.0 91753.266 0.0 0.0 91753.266 0.0 0.0 437.2285 31.35 31.35 0 -1 0.0 72677.28 63889.2 0.0 72677.28 63889.2 0.0 72677.28 63889.2 236.1043 35.65 35.65 0 -1 0.0 0.0 181623.27 0.0 0.0 181623.27 0.0 0.0 181623.27 674.3253 35.2 35.2 0 -1 0.0 43890.145 0.0 0.0 43890.145 0.0 0.0 43890.145 0.0 311.2207 37.45 37.45 0 -1 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 341.1091 1.55 1.55 0 -1 0.0 52492.406 0.0 0.0 52492.406 0.0 0.0 52492.406 0.0 667.3884 29.81 29.81 0 -1 0.0 0.0 30529.3 0.0 0.0 30529.3 0.0 0.0 30529.3 489.1565 23.28 23.28 0 -1 0.0 0.0 40477.934 0.0 0.0 40477.934 0.0 0.0 40477.934 537.283 24.1 24.1 0 -1 0.0 279698.0 0.0 0.0 279698.0 0.0 0.0 279698.0 0.0 179.0289 3.86 3.86 0 -1 104100.2 0.0 33708.277 104100.2 0.0 33708.277 104100.2 0.0 33708.277 395.203 31.58 31.58 0 -1 2308053.8 1158971.4 2914390.8 2308053.8 1158971.4 2914390.8 2308053.8 1158971.4 2914390.8 329.2319 32.42 32.42 0 -1 280505.7 0.0 0.0 280505.7 0.0 0.0 280505.7 0.0 0.0 309.202 36.12 36.12 0 -1 0.0 49275.023 57249.58 0.0 49275.023 57249.58 0.0 49275.023 57249.58 679.3678 26.95 26.95 0 -1 Massbank:PR306731 isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 0.0 0.0 2539281.0 0.0 0.0 2539281.0 0.0 0.0 2539281.0 450.1922 2.37 2.37 0 -1 2-butoxy-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide CCCCOc1ccccc1C(=O)Nc1nonc1-c1cc(OC)c(OC)cc1 InChI=1S/C21H23N3O5/c1-4-5-12-28-16-9-7-6-8-15(16)21(25)22-20-19(23-29-24-20)14-10-11-17(26-2)18(13-14)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25) 0.0 0.0 375945.03 0.0 0.0 375945.03 0.0 0.0 375945.03 555.1643 6.87 6.87 0 -1 0.0 26695.424 0.0 0.0 26695.424 0.0 0.0 26695.424 0.0 255.8208 10.59 10.59 0 -1 0.0 70437.92 0.0 0.0 70437.92 0.0 0.0 70437.92 0.0 381.0579 18.01 18.01 0 -1 (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 0.0 37773.566 0.0 0.0 37773.566 0.0 0.0 37773.566 0.0 339.1815 36.45 36.45 0 -1 0.0 49149.3 0.0 0.0 49149.3 0.0 0.0 49149.3 0.0 389.1273 12.51 12.51 0 -1 Massbank:PR306967 2'-Hydroxyflavanone OC1=CC=CC=C1C1CC(=O)C2=CC=CC=C2O1 1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2 0.0 0.0 110724.33 0.0 0.0 110724.33 0.0 0.0 110724.33 585.2664 14.17 14.17 0 -1 58932.473 0.0 0.0 58932.473 0.0 0.0 58932.473 0.0 0.0 409.2177 34.04 34.04 0 -1 0.0 47719.76 0.0 0.0 47719.76 0.0 0.0 47719.76 0.0 479.2792 38.89 38.89 0 -1 0.0 0.0 36913.953 0.0 0.0 36913.953 0.0 0.0 36913.953 735.1695 23.58 23.58 0 -1 50135.87 0.0 0.0 50135.87 0.0 0.0 50135.87 0.0 0.0 407.182 10.35 10.35 0 -1 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 823.4701 39.77 39.77 0 -1 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 191.0207 2.12 2.12 0 -1 Citric acid O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 33131.895 0.0 0.0 33131.895 0.0 0.0 33131.895 0.0 0.0 551.2135 9.07 9.07 0 -1 305816.4 82317.625 90608.05 305816.4 82317.625 90608.05 305816.4 82317.625 90608.05 329.2317 33.45 33.45 0 -1 0.0 51492.9 0.0 0.0 51492.9 0.0 0.0 51492.9 0.0 169.0862 31.43 31.43 0 -1 0.0 0.0 207722.42 0.0 0.0 207722.42 0.0 0.0 207722.42 800.2673 14.3 14.3 0 -1 62801.668 0.0 0.0 62801.668 0.0 0.0 62801.668 0.0 0.0 569.2361 7.62 7.62 0 -1 0.0 44411.457 0.0 0.0 44411.457 0.0 0.0 44411.457 0.0 543.3243 31.62 31.62 0 -1 0.0 21223.531 0.0 0.0 21223.531 0.0 0.0 21223.531 0.0 441.0804 25.61 25.61 0 -1 0.0 0.0 67640.01 0.0 0.0 67640.01 0.0 0.0 67640.01 358.0683 16.2 16.2 0 -1 0.0 0.0 453828.2 0.0 0.0 453828.2 0.0 0.0 453828.2 437.1256 2.56 2.56 0 -1 52083.35 0.0 0.0 52083.35 0.0 0.0 52083.35 0.0 0.0 449.2721 29.66 29.66 0 -1 0.0 121855.09 0.0 0.0 121855.09 0.0 0.0 121855.09 0.0 309.1734 36.25 36.25 0 -1 332792.62 0.0 0.0 332792.62 0.0 0.0 332792.62 0.0 0.0 267.0738 1.96 1.96 0 -1 81929.39 0.0 0.0 81929.39 0.0 0.0 81929.39 0.0 0.0 290.0907 3.39 3.39 0 -1 MEGxp0_000146 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(=O)O)cc1 InChI=1S/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1 0.0 0.0 93957.07 0.0 0.0 93957.07 0.0 0.0 93957.07 617.3498 31.64 31.64 0 -1 323909.94 0.0 0.0 323909.94 0.0 0.0 323909.94 0.0 0.0 417.2997 38.18 38.18 0 -1 18b-glycyrrhetinic acid CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 0.0 0.0 35586.57 0.0 0.0 35586.57 0.0 0.0 35586.57 667.1913 23.43 23.43 0 -1 115483.11 0.0 0.0 115483.11 0.0 0.0 115483.11 0.0 0.0 387.2377 35.65 35.65 0 -1 31639.357 0.0 0.0 31639.357 0.0 0.0 31639.357 0.0 0.0 547.2705 19.49 19.49 0 -1 0.0 0.0 102987.74 0.0 0.0 102987.74 0.0 0.0 102987.74 343.0826 20.87 20.87 0 -1 45072.55 0.0 0.0 45072.55 0.0 0.0 45072.55 0.0 0.0 357.2268 30.65 30.65 0 -1 0.0 0.0 160582.53 0.0 0.0 160582.53 0.0 0.0 160582.53 549.2541 8.15 8.15 0 -1 0.0 33219.207 0.0 0.0 33219.207 0.0 0.0 33219.207 0.0 483.2361 35.84 35.84 0 -1 0.0 0.0 72742.22 0.0 0.0 72742.22 0.0 0.0 72742.22 548.0942 25.64 25.64 0 -1 100630.2 0.0 0.0 100630.2 0.0 0.0 100630.2 0.0 0.0 163.0388 7.04 7.04 0 -1 0.0 59334.156 158902.45 0.0 59334.156 158902.45 0.0 59334.156 158902.45 271.2267 38.52 38.52 0 -1 63025.742 0.0 0.0 63025.742 0.0 0.0 63025.742 0.0 0.0 537.1029 7.21 7.21 0 -1 rosmarinic acid O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 70006.72 0.0 0.0 70006.72 0.0 0.0 70006.72 0.0 0.0 417.2088 11.05 11.05 0 -1 0.0 0.0 40226.53 0.0 0.0 40226.53 0.0 0.0 40226.53 433.1565 25.47 25.47 0 -1 201759.06 0.0 0.0 201759.06 0.0 0.0 201759.06 0.0 0.0 343.2104 17.36 17.36 0 -1 85479.6 0.0 0.0 85479.6 0.0 0.0 85479.6 0.0 0.0 377.199 35.8 35.8 0 -1 45075.867 0.0 0.0 45075.867 0.0 0.0 45075.867 0.0 0.0 489.268 30.52 30.52 0 -1 0.0 85003.24 0.0 0.0 85003.24 0.0 0.0 85003.24 0.0 303.0897 17.4 17.4 0 -1 0.0 37405.844 0.0 0.0 37405.844 0.0 0.0 37405.844 0.0 687.5748 38.67 38.67 0 -1 120891.01 299785.22 226736.03 120891.01 299785.22 226736.03 120891.01 299785.22 226736.03 167.0337 6.67 6.67 0 -1 0.0 0.0 13814.688 0.0 0.0 13814.688 0.0 0.0 13814.688 242.9427 1.02 1.02 0 -1 0.0 0.0 80327.93 0.0 0.0 80327.93 0.0 0.0 80327.93 835.2396 14.26 14.26 0 -1 19881.605 0.0 0.0 19881.605 0.0 0.0 19881.605 0.0 0.0 981.2651 27.01 27.01 0 -1 40010.69 0.0 0.0 40010.69 0.0 0.0 40010.69 0.0 0.0 569.1798 24.48 24.48 0 -1 160776.1 0.0 0.0 160776.1 0.0 0.0 160776.1 0.0 0.0 293.21 39.73 39.73 0 -1 137873.3 93614.71 0.0 137873.3 93614.71 0.0 137873.3 93614.71 0.0 503.0963 19.63 19.63 0 -1 0.0 117955.52 144223.78 0.0 117955.52 144223.78 0.0 117955.52 144223.78 505.1134 32.42 32.42 0 -1 0.0 0.0 74636.57 0.0 0.0 74636.57 0.0 0.0 74636.57 667.3315 33.02 33.02 0 -1 Massbank:FIO00937 Cynarine Oc(c1)c(O)cc(C=CC(=O)O[C@@H]([C@@H](O)2)C[C@@](OC(=O)C=Cc(c3)cc(O)c(O)c3)(C(O)=O)C[C@@H](O)2)c1 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 30139.438 0.0 0.0 30139.438 0.0 0.0 30139.438 0.0 0.0 466.1718 25.16 25.16 0 -1 38528.418 0.0 0.0 38528.418 0.0 0.0 38528.418 0.0 0.0 213.1115 29.27 29.27 0 -1 0.0 193975.83 0.0 0.0 193975.83 0.0 0.0 193975.83 0.0 209.068 1.76 1.76 0 -1 75013.39 0.0 0.0 75013.39 0.0 0.0 75013.39 0.0 0.0 201.1116 22.17 22.17 0 -1 0.0 0.0 166646.7 0.0 0.0 166646.7 0.0 0.0 166646.7 413.1453 7.75 7.75 0 -1 NCGC00385728-01 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1 130661.1 0.0 335075.84 130661.1 0.0 335075.84 130661.1 0.0 335075.84 565.2765 34.79 34.79 0 -1 0.0 72951.53 171885.17 0.0 72951.53 171885.17 0.0 72951.53 171885.17 197.0436 17.95 17.95 0 -1 318388.75 0.0 0.0 318388.75 0.0 0.0 318388.75 0.0 0.0 614.3307 37.76 37.76 0 -1 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid 0.0 0.0 50113.434 0.0 0.0 50113.434 0.0 0.0 50113.434 447.11 21.7 21.7 0 -1 0.0 0.0 198575.19 0.0 0.0 198575.19 0.0 0.0 198575.19 692.3539 33.64 33.64 0 -1 0.0 32390.986 0.0 0.0 32390.986 0.0 0.0 32390.986 0.0 309.0405 14.36 14.36 0 -1 0.0 0.0 230641.17 0.0 0.0 230641.17 0.0 0.0 230641.17 711.3342 36.28 36.28 0 -1 0.0 0.0 136970.53 0.0 0.0 136970.53 0.0 0.0 136970.53 653.329 31.64 31.64 0 -1 91398.44 57831.227 0.0 91398.44 57831.227 0.0 91398.44 57831.227 0.0 491.2838 30.3 30.3 0 -1 Massbank:PR309108 FA 18:1+3O O=C(O)CCCCCCCC(O)C=CC(O)C(O)CCCCC 1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23) 100521.33 0.0 0.0 100521.33 0.0 0.0 100521.33 0.0 0.0 647.3284 37.4 37.4 0 -1 -15.994 -15 0.7483 0 8197 8816 43 Cosine 0.7483 0.0 0 0.8322 0 8197 9810 43 Cosine 0.8322 -1.003 -1 0.7341 0 6895 6894 2 Cosine 0.7341 -3.948 -3 0.8741 0 6385 4971 2 Cosine 0.8741 -0.004 0 0.8877 0 6385 6691 2 Cosine 0.8877 35.976 35 0.8578 0 6385 6497 2 Cosine 0.8578 -0.001 0 0.8895 0 6385 6530 2 Cosine 0.8895 -0.002 0 0.8681 0 6385 6460 2 Cosine 0.8681 -0.001 0 0.8652 0 6385 6833 2 Cosine 0.8652 35.975 35 0.8643 0 6385 6768 2 Cosine 0.8643 0.0 0 0.8982 0 6385 6730 2 Cosine 0.8982 37.992 37 0.9001 0 6385 6741 2 Cosine 0.9001 35.974 35 0.8741 0 6385 6870 2 Cosine 0.8741 0.002 0 0.732 0 3161 2880 45 Cosine 0.732 -328.062 -328 0.7946 0 5027 6749 2 Cosine 0.7946 0.0 0 0.7865 0 5027 4748 2 Cosine 0.7865 -3.951 -3 0.8456 0 5027 6888 2 Cosine 0.8456 15.994 15 0.8729 0 9810 8816 43 Cosine 0.8729 -0.002 0 0.71 0 10283 10639 56 Cosine 0.71 21.981 21 0.7595 0 7947 7958 44 Cosine 0.7595 4.032 4 0.7916 0 10817 10947 52 Cosine 0.7916 -2.015 -2 0.9666 0 8999 9003 11 Cosine 0.9666 45.958 45 0.7296 0 8999 6938 11 Cosine 0.7296 -3.974 -3 0.8838 0 8999 3429 11 Cosine 0.8838 -7.931 -7 0.7925 0 8999 3440 11 Cosine 0.7925 -1.932 -1 0.7241 0 8999 4948 11 Cosine 0.7241 -192.043 -192 0.799 0 8999 6525 11 Cosine 0.799 -37.991 -37 0.9135 0 8999 9000 11 Cosine 0.9135 45.955 45 0.7645 0 8999 6669 11 Cosine 0.7645 -1.932 -1 0.7586 0 8999 4965 11 Cosine 0.7586 -192.044 -192 0.7657 0 8999 6475 11 Cosine 0.7657 -30.013 -30 0.7947 0 7837 6560 2 Cosine 0.7947 280.112 280 0.7747 0 7837 4449 2 Cosine 0.7747 -30.014 -30 0.8132 0 7837 6644 2 Cosine 0.8132 -30.016 -30 0.8467 0 7837 6445 2 Cosine 0.8467 280.113 280 0.7545 0 7837 5186 2 Cosine 0.7545 88.099 88 0.8693 0 4108 4869 1 Cosine 0.8693 110.081 110 0.8887 0 4108 4850 1 Cosine 0.8887 15.997 15 0.8799 0 4108 5819 1 Cosine 0.8799 2.013 2 0.9683 0 4108 4296 1 Cosine 0.9683 -0.0 0 0.9718 0 4108 4319 1 Cosine 0.9718 -14.012 -14 0.8972 0 4108 5857 1 Cosine 0.8972 15.996 15 0.9532 0 4108 3883 1 Cosine 0.9532 15.995 15 0.8878 0 4108 3689 1 Cosine 0.8878 15.996 15 0.9126 0 4108 5457 1 Cosine 0.9126 146.058 146 0.8807 0 4108 6374 1 Cosine 0.8807 -23.017 -23 0.8485 0 4952 2498 27 Cosine 0.8485 -0.002 0 0.7521 0 7615 7377 11 Cosine 0.7521 0.001 0 0.777 0 2376 2127 1 Cosine 0.777 -37.995 -37 0.9295 0 6668 6691 2 Cosine 0.9295 362.099 362 0.9173 0 6668 6524 2 Cosine 0.9173 34.044 34 0.861 0 6668 4748 2 Cosine 0.861 37.992 37 0.9294 0 6668 6530 2 Cosine 0.9294 37.993 37 0.9374 0 6668 6460 2 Cosine 0.9374 -360.09 -360 0.9179 0 6668 6739 2 Cosine 0.9179 -363.11 -363 0.8818 0 6668 6750 2 Cosine 0.8818 -37.991 -37 0.9075 0 6668 6730 2 Cosine 0.9075 -37.993 -37 0.9412 0 6668 6833 2 Cosine 0.9412 -37.994 -37 0.9229 0 6668 6888 2 Cosine 0.9229 0.001 0 0.7398 0 5494 4366 4 Cosine 0.7398 47.983 47 0.8391 0 1110 393 41 Cosine 0.8391 -0.0 0 0.9434 0 1245 548 47 Cosine 0.9434 24.0 24 0.7274 0 12232 11829 35 Cosine 0.7274 23.997 23 0.711 0 11695 12011 19 Cosine 0.711 23.999 23 0.7567 0 11695 12230 19 Cosine 0.7567 -2.018 -2 0.7306 0 11695 12491 19 Cosine 0.7306 0.002 0 0.9484 0 6833 6691 2 Cosine 0.9484 324.106 324 0.8968 0 6833 6524 2 Cosine 0.8968 -0.001 0 0.9561 0 6833 6530 2 Cosine 0.9561 0.001 0 0.9568 0 6833 6460 2 Cosine 0.9568 322.097 322 0.9096 0 6833 6739 2 Cosine 0.9096 325.117 325 0.8686 0 6833 6750 2 Cosine 0.8686 -0.001 0 0.9266 0 6833 6730 2 Cosine 0.9266 -0.002 0 0.8972 0 6833 6888 2 Cosine 0.8972 -11.964 -11 0.7057 0 1856 430 10 Cosine 0.7057 2.052 2 0.7463 0 1856 522 10 Cosine 0.7463 -0.0 0 0.8866 0 1856 640 10 Cosine 0.8866 0.001 0 0.8283 0 1856 1108 10 Cosine 0.8283 -194.058 -194 0.763 0 6475 9003 11 Cosine 0.763 -0.0 0 0.7685 0 6475 6525 11 Cosine 0.7685 190.111 190 0.7052 0 6475 4965 11 Cosine 0.7052 21.981 21 0.7576 0 5360 5458 1 Cosine 0.7576 13.982 13 0.8427 0 2228 3470 1 Cosine 0.8427 -2.014 -2 0.9552 0 2228 2229 1 Cosine 0.9552 -2.016 -2 0.8563 0 2228 2449 1 Cosine 0.8563 356.111 356 0.7765 0 2228 2215 1 Cosine 0.7765 182.101 182 0.8315 0 2228 818 1 Cosine 0.8315 34.042 34 0.8935 0 2228 1740 1 Cosine 0.8935 2.016 2 0.7966 0 2228 1746 1 Cosine 0.7966 -0.001 0 0.9635 0 2228 2363 1 Cosine 0.9635 -2.014 -2 0.839 0 2228 2364 1 Cosine 0.839 -0.002 0 0.9321 0 2228 2473 1 Cosine 0.9321 -0.002 0 0.8554 0 2745 5598 40 Cosine 0.8554 -17.968 -17 0.7359 0 12820 11607 26 Cosine 0.7359 146.055 146 0.7239 0 3689 7196 1 Cosine 0.7239 31.992 31 0.8467 0 3689 5819 1 Cosine 0.8467 15.995 15 0.8896 0 3689 4319 1 Cosine 0.8896 1.983 1 0.7657 0 3689 5857 1 Cosine 0.7657 -0.001 0 0.9156 0 3689 3883 1 Cosine 0.9156 2.017 2 0.7524 0 3689 4536 1 Cosine 0.7524 31.992 31 0.9051 0 3689 5457 1 Cosine 0.9051 69.968 69 0.7217 0 10961 11800 20 Cosine 0.7217 -10.028 -10 0.78 0 10961 10960 20 Cosine 0.78 -67.989 -67 0.7186 0 10961 10959 20 Cosine 0.7186 -0.001 0 0.8666 0 8678 8636 31 Cosine 0.8666 166.064 166 0.7031 0 8678 8375 31 Cosine 0.7031 43.992 43 0.8074 0 8238 8163 31 Cosine 0.8074 0.001 0 0.7889 0 8238 8476 31 Cosine 0.7889 -47.009 -47 0.8471 0 8238 8482 31 Cosine 0.8471 -46.003 -46 0.7918 0 8238 8469 31 Cosine 0.7918 -43.99 -43 0.7572 0 8238 8375 31 Cosine 0.7572 -30.01 -30 0.7256 0 8238 9276 31 Cosine 0.7256 -120.02 -120 0.7283 0 5447 9677 2 Cosine 0.7283 -120.021 -120 0.729 0 5447 9937 2 Cosine 0.729 32.026 32 0.8325 0 5447 6785 2 Cosine 0.8325 0.0 0 0.8437 0 5447 5586 2 Cosine 0.8437 15.993 15 0.7622 0 5447 7768 2 Cosine 0.7622 146.056 146 0.7575 0 7196 3883 1 Cosine 0.7575 -15.998 -15 0.7419 0 7196 6374 1 Cosine 0.7419 -2.017 -2 0.7671 0 4201 4526 1 Cosine 0.7671 -0.0 0 0.787 0 4201 4536 1 Cosine 0.787 0.001 0 0.888 0 5804 5458 1 Cosine 0.888 146.055 146 0.7427 0 5804 6059 1 Cosine 0.7427 35.976 35 0.796 0 5804 5819 1 Cosine 0.796 32.011 32 0.7992 0 5804 5462 1 Cosine 0.7992 35.997 35 0.8069 0 5804 9574 1 Cosine 0.8069 104.043 104 0.7519 0 5804 8959 1 Cosine 0.7519 2.02 2 0.7867 0 5804 5040 1 Cosine 0.7867 21.983 21 0.8137 0 5804 5460 1 Cosine 0.8137 -30.011 -30 0.7974 0 5804 6273 1 Cosine 0.7974 -35.976 -35 0.8457 0 5804 5457 1 Cosine 0.8457 30.011 30 0.7251 0 5349 5450 14 Cosine 0.7251 0.001 0 0.8836 0 8375 8163 31 Cosine 0.8836 43.991 43 0.7321 0 8375 8476 31 Cosine 0.7321 -3.019 -3 0.7583 0 8375 8482 31 Cosine 0.7583 -2.013 -2 0.8386 0 8375 8469 31 Cosine 0.8386 -2.017 -2 0.9141 0 8375 8212 31 Cosine 0.9141 46.008 46 0.7649 0 8375 8474 31 Cosine 0.7649 47.99 47 0.8 0 8375 8506 31 Cosine 0.8 -226.048 -226 0.7146 0 2214 1483 1 Cosine 0.7146 -2.015 -2 0.8684 0 2214 2215 1 Cosine 0.8684 -171.995 -171 0.7388 0 2214 818 1 Cosine 0.7388 2.014 2 0.8776 0 2214 2127 1 Cosine 0.8776 0.0 0 0.7318 0 4980 4843 1 Cosine 0.7318 146.056 146 0.7385 0 4980 4526 1 Cosine 0.7385 144.04 144 0.7807 0 4980 4536 1 Cosine 0.7807 0.0 0 0.7236 0 4980 4950 1 Cosine 0.7236 144.044 144 0.8839 0 6374 4296 1 Cosine 0.8839 -94.001 -94 0.8303 0 6374 2449 1 Cosine 0.8303 146.058 146 0.8837 0 6374 4319 1 Cosine 0.8837 10.031 10 0.756 0 4023 4491 1 Cosine 0.756 15.998 15 0.7135 0 4023 5462 1 Cosine 0.7135 10.03 10 0.7298 0 4023 4173 1 Cosine 0.7298 0.001 0 0.8733 0 6873 6749 2 Cosine 0.8733 -21.976 -21 0.7431 0 6873 6894 2 Cosine 0.7431 -26.017 -26 0.7315 0 11551 11830 19 Cosine 0.7315 324.104 324 0.866 0 6524 6691 2 Cosine 0.866 -328.055 -328 0.8126 0 6524 4725 2 Cosine 0.8126 -324.106 -324 0.8785 0 6524 6460 2 Cosine 0.8785 324.107 324 0.8674 0 6524 6530 2 Cosine 0.8674 2.009 2 0.8554 0 6524 6739 2 Cosine 0.8554 -1.011 -1 0.8547 0 6524 6750 2 Cosine 0.8547 324.105 324 0.861 0 6524 6888 2 Cosine 0.861 0.0 0 0.0 0 6524 6560 2 MS1 annotation [M-H]- [2M+HFA+FA]- dm/z=406.08733 2.0 86.086 86 0.8705 0 4296 4869 1 Cosine 0.8705 108.068 108 0.9066 0 4296 4850 1 Cosine 0.9066 108.067 108 0.885 0 4296 4641 1 Cosine 0.885 -2.013 -2 0.9768 0 4296 4319 1 Cosine 0.9768 86.086 86 0.8738 0 4296 4826 1 Cosine 0.8738 144.045 144 0.8539 0 4296 4848 1 Cosine 0.8539 76.058 76 0.8467 0 4296 4853 1 Cosine 0.8467 -60.021 -60 0.8492 0 4296 7177 1 Cosine 0.8492 -2.016 -2 0.7615 0 11444 11814 19 Cosine 0.7615 0.001 0 0.801 0 1746 2229 1 Cosine 0.801 18.014 18 0.7044 0 1746 3045 1 Cosine 0.7044 2.014 2 0.7895 0 1746 2473 1 Cosine 0.7895 2.015 2 0.7889 0 1746 2363 1 Cosine 0.7889 0.001 0 0.7659 0 1746 2364 1 Cosine 0.7659 2.014 2 0.7996 0 7457 7561 13 Cosine 0.7996 0.0 0 0.8751 0 917 694 34 Cosine 0.8751 2.018 2 0.7236 0 9740 7958 44 Cosine 0.7236 10.029 10 0.7761 0 4491 4110 1 Cosine 0.7761 10.027 10 0.7273 0 4491 4439 1 Cosine 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Cosine 0.7443 -1.003 -1 0.7514 0 7177 7192 1 Cosine 0.7514 -30.012 -30 0.7777 0 7177 7408 1 Cosine 0.7777 -108.021 -108 0.7929 0 9146 9937 2 Cosine 0.7929 -12.0 -12 0.7404 0 9146 5586 2 Cosine 0.7404 108.021 108 0.7499 0 9146 6476 2 Cosine 0.7499 108.019 108 0.8223 0 9146 6783 2 Cosine 0.8223 0.001 0 0.9092 0 4850 4641 1 Cosine 0.9092 21.984 21 0.8945 0 4850 4687 1 Cosine 0.8945 21.982 21 0.9196 0 4850 4826 1 Cosine 0.9196 -35.977 -35 0.8856 0 4850 4848 1 Cosine 0.8856 -32.01 -32 0.8766 0 4850 4853 1 Cosine 0.8766 -120.022 -120 0.7483 0 5586 9937 2 Cosine 0.7483 32.026 32 0.7766 0 5586 6785 2 Cosine 0.7766 -120.02 -120 0.7097 0 5586 6783 2 Cosine 0.7097 133.986 133 0.7852 0 4995 961 16 Cosine 0.7852 0.0 0 0.8228 0 4995 4729 16 Cosine 0.8228 0.0 0 0.7818 0 4995 4819 16 Cosine 0.7818 0.0 0 0.842 0 4995 4926 16 Cosine 0.842 44.026 44 0.8107 0 11958 11607 26 Cosine 0.8107 -32.009 -32 0.8349 0 4853 4641 1 Cosine 0.8349 -10.026 -10 0.84 0 4853 4687 1 Cosine 0.84 -10.027 -10 0.8477 0 4853 4826 1 Cosine 0.8477 -53.943 -53 0.7897 0 42 199 38 Cosine 0.7897 2.014 2 0.9426 0 2363 2229 1 Cosine 0.9426 -2.015 -2 0.8696 0 2363 2449 1 Cosine 0.8696 182.1 182 0.831 0 2363 818 1 Cosine 0.831 34.042 34 0.8962 0 2363 1740 1 Cosine 0.8962 -2.014 -2 0.8391 0 2363 2364 1 Cosine 0.8391 35.978 35 0.8443 0 4848 4641 1 Cosine 0.8443 15.994 15 0.8738 0 4848 6328 1 Cosine 0.8738 15.993 15 0.838 0 4848 6016 1 Cosine 0.838 57.959 57 0.8292 0 4848 4826 1 Cosine 0.8292 32.028 32 0.907 0 1740 2229 1 Cosine 0.907 32.027 32 0.8572 0 1740 2449 1 Cosine 0.8572 148.059 148 0.8653 0 1740 818 1 Cosine 0.8653 32.028 32 0.788 0 1740 2364 1 Cosine 0.788 -4.028 -4 0.751 0 5759 6165 30 Cosine 0.751 -11.965 -11 0.8325 0 430 1108 10 Cosine 0.8325 -14.016 -14 0.9379 0 430 522 10 Cosine 0.9379 -0.0 0 0.7598 0 4819 4729 16 Cosine 0.7598 0.0 0 0.7761 0 5288 5313 37 Cosine 0.7761 24.0 24 0.7969 0 12230 11830 19 Cosine 0.7969 -26.016 -26 0.9396 0 12230 12491 19 Cosine 0.9396 0.002 0 0.8483 0 12230 12011 19 Cosine 0.8483 -0.002 0 0.9516 0 6870 6497 2 Cosine 0.9516 15.995 15 0.7816 0 6870 7902 2 Cosine 0.7816 -2.018 -2 0.9417 0 6870 6741 2 Cosine 0.9417 -35.976 -35 0.7828 0 11262 11401 29 Cosine 0.7828 -5.989 -5 0.8663 0 3429 9003 11 Cosine 0.8663 -49.933 -49 0.7165 0 3429 6938 11 Cosine 0.7165 188.069 188 0.7382 0 3429 6525 11 Cosine 0.7382 1.979 1 0.7167 0 10959 11800 20 Cosine 0.7167 -10.022 -10 0.8 0 4557 4293 1 Cosine 0.8 -70.0 -70 0.771 0 4557 4536 1 Cosine 0.771 2.016 2 0.8353 0 8740 4384 8 Cosine 0.8353 4.032 4 0.7516 0 8740 8639 8 Cosine 0.7516 2.017 2 0.8147 0 8740 8589 8 Cosine 0.8147 4.031 4 0.7267 0 8740 8721 8 Cosine 0.7267 0.001 0 0.7892 0 5994 6067 49 Cosine 0.7892 -14.018 -14 0.7084 0 7379 6165 30 Cosine 0.7084 -82.037 -82 0.7518 0 7267 1718 11 Cosine 0.7518 0.0 0 0.7157 0 7267 7377 11 Cosine 0.7157 -194.058 -194 0.8071 0 9003 6525 11 Cosine 0.8071 43.944 43 0.7192 0 9003 6938 11 Cosine 0.7192 -6.029 -6 0.7214 0 7408 5622 1 Cosine 0.7214 -42.013 -42 0.7299 0 7408 5618 1 Cosine 0.7299 -2.015 -2 0.722 0 11342 11686 9 Cosine 0.722 0.0 0 0.0 0 11342 11344 9 MS1 annotation [M+HFA+?]- [M+?]- dm/z=46.0051 2.0 -42.011 -42 0.7564 0 8956 6058 1 Cosine 0.7564 -6.035 -6 0.7978 0 8956 6313 1 Cosine 0.7978 -42.011 -42 0.7667 0 8956 6016 1 Cosine 0.7667 -42.012 -42 0.7902 0 8956 6328 1 Cosine 0.7902 -35.978 -35 0.7948 0 8956 8959 1 Cosine 0.7948 -2.016 -2 0.752 0 4410 4384 8 Cosine 0.752 2.014 2 0.8115 0 4410 8589 8 Cosine 0.8115 -0.001 0 0.7863 0 4410 8639 8 Cosine 0.7863 0.0 0 0.7714 0 4410 8721 8 Cosine 0.7714 0.0 0 0.0 0 4410 4411 23 MS1 annotation [M+FA]- [M-H]- dm/z=46.00575 2.0 310.126 310 0.7319 0 4449 6560 2 Cosine 0.7319 -0.0 0 0.8214 0 4449 5186 2 Cosine 0.8214 0.004 0 0.784 0 8153 8219 31 Cosine 0.784 2.018 2 0.7252 0 8212 8219 31 Cosine 0.7252 41.974 41 0.7189 0 8212 8476 31 Cosine 0.7189 -4.03 -4 0.7719 0 8212 8469 31 Cosine 0.7719 -18.011 -18 0.7139 0 8212 8424 31 Cosine 0.7139 45.973 45 0.834 0 8212 8506 31 Cosine 0.834 2.016 2 0.7029 0 9189 9197 11 Cosine 0.7029 35.977 35 0.7949 0 9189 9187 11 Cosine 0.7949 2.016 2 0.958 0 6741 6497 2 Cosine 0.958 37.992 37 0.8653 0 6741 6730 2 Cosine 0.8653 -0.0 0 0.7113 0 2995 3298 1 Cosine 0.7113 0.0 0 0.8665 0 6016 6058 1 Cosine 0.8665 -35.975 -35 0.8088 0 6016 6313 1 Cosine 0.8088 0.001 0 0.8548 0 6016 6328 1 Cosine 0.8548 -77.988 -77 0.8152 0 6016 8959 1 Cosine 0.8152 -26.016 -26 0.7298 0 6525 3370 11 Cosine 0.7298 0.001 0 0.8554 0 6328 6058 1 Cosine 0.8554 35.976 35 0.8261 0 6328 6313 1 Cosine 0.8261 -77.989 -77 0.8064 0 6328 8959 1 Cosine 0.8064 15.991 15 0.7125 0 5514 4293 1 Cosine 0.7125 -0.001 0 0.8066 0 8589 4384 8 Cosine 0.8066 -2.015 -2 0.9108 0 8589 8639 8 Cosine 0.9108 -2.014 -2 0.8468 0 8589 8721 8 Cosine 0.8468 0.0 0 0.0 0 12310 12312 9 MS1 annotation [M+FA]- [M-H]- dm/z=46.00531 2.0 -2.017 -2 0.7351 0 12310 11686 9 Cosine 0.7351 59.977 59 0.7717 0 4293 4536 1 Cosine 0.7717 310.126 310 0.702 0 6560 5186 2 Cosine 0.702 -35.977 -35 0.8409 0 6560 9938 2 Cosine 0.8409 30.012 30 0.7585 0 3909 5075 2 Cosine 0.7585 -21.983 -21 0.8348 0 4687 4641 1 Cosine 0.8348 0.001 0 0.8714 0 4687 4826 1 Cosine 0.8714 -4.033 -4 0.7744 0 12312 11344 9 Cosine 0.7744 -26.015 -26 0.7251 0 12312 12039 9 Cosine 0.7251 -2.018 -2 0.7479 0 12312 13461 9 Cosine 0.7479 -82.036 -82 0.7323 0 1718 7377 11 Cosine 0.7323 0.0 0 0.0 0 8469 8476 31 MS1 annotation [M+?]- [M+HFA+?]- dm/z=46.00373 2.0 -1.006 -1 0.7454 0 8469 8482 31 Cosine 0.7454 13.982 13 0.7072 0 8469 8424 31 Cosine 0.7072 50.003 50 0.7503 0 8469 8506 31 Cosine 0.7503 63.977 63 0.7775 0 1671 393 41 Cosine 0.7775 -0.003 0 0.9469 0 6691 6530 2 Cosine 0.9469 0.004 0 0.9295 0 6691 6730 2 Cosine 0.9295 -322.095 -322 0.8983 0 6691 6739 2 Cosine 0.8983 -2.016 -2 0.8103 0 12491 11830 19 Cosine 0.8103 -10.027 -10 0.7113 0 12491 12490 19 Cosine 0.7113 -26.014 -26 0.8227 0 12491 12011 19 Cosine 0.8227 0.0 0 0.7066 0 3391 3180 7 Cosine 0.7066 1.982 1 0.7333 0 9338 9349 15 Cosine 0.7333 2.051 2 0.8314 0 522 1108 10 Cosine 0.8314 0.001 0 0.8194 0 5833 6165 30 Cosine 0.8194 0.001 0 0.7208 0 8692 8642 8 Cosine 0.7208 -30.013 -30 0.7256 0 7824 6783 2 Cosine 0.7256 0.0 0 0.836 0 7824 7902 2 Cosine 0.836 15.993 15 0.786 0 6497 7902 2 Cosine 0.786 -6.051 -6 0.7887 0 13461 11344 9 Cosine 0.7887 -28.033 -28 0.7657 0 13461 12039 9 Cosine 0.7657 0.001 0 0.9474 0 6530 6730 2 Cosine 0.9474 -322.098 -322 0.9063 0 6530 6739 2 Cosine 0.9063 385.103 385 0.8643 0 4827 4674 5 Cosine 0.8643 -385.102 -385 0.8791 0 4827 4855 5 Cosine 0.8791 15.996 15 0.7333 0 5904 4843 1 Cosine 0.7333 -0.002 0 0.8638 0 6783 9937 2 Cosine 0.8638 0.001 0 0.8279 0 6783 6476 2 Cosine 0.8279 -30.013 -30 0.7794 0 6783 7902 2 Cosine 0.7794 -108.02 -108 0.7354 0 8639 7985 8 Cosine 0.7354 -2.016 -2 0.7579 0 8639 4384 8 Cosine 0.7579 0.001 0 0.8719 0 8639 8721 8 Cosine 0.8719 59.985 59 0.7051 0 8476 8424 31 Cosine 0.7051 -47.01 -47 0.815 0 8476 8482 31 Cosine 0.815 110.08 110 0.7129 0 6612 6407 1 Cosine 0.7129 0.002 0 0.9428 0 4674 4855 5 Cosine 0.9428 144.04 144 0.753 0 4843 4536 1 Cosine 0.753 -0.0 0 0.7189 0 4843 4950 1 Cosine 0.7189 -2.015 -2 0.9288 0 2253 2252 50 Cosine 0.9288 -108.019 -108 0.7231 0 8721 7985 8 Cosine 0.7231 -2.016 -2 0.7338 0 8721 4384 8 Cosine 0.7338 67.987 67 0.7249 0 12810 12997 4 Cosine 0.7249 -46.007 -46 0.7198 0 8220 8482 31 Cosine 0.7198 -0.001 0 0.7483 0 9574 10042 1 Cosine 0.7483 -146.038 -146 0.7612 0 9574 11028 1 Cosine 0.7612 -322.099 -322 0.8847 0 6730 6739 2 Cosine 0.8847 -21.982 -21 0.8796 0 4826 4641 1 Cosine 0.8796 -326.046 -326 0.8264 0 4748 6739 2 Cosine 0.8264 -146.036 -146 0.7205 0 11028 10042 1 Cosine 0.7205 0.0 0 0.0 0 393 413 -1 MS1 annotation [M-H]- [M+FA]- dm/z=46.00502 2.0 -30.01 -30 0.7496 0 819 846 21 Cosine 0.7496 -20.029 -20 0.7102 0 8424 8219 31 Cosine 0.7102 12.975 12 0.7045 0 8424 8482 31 Cosine 0.7045 21.982 21 0.8071 0 11344 12039 9 Cosine 0.8071 132.042 132 0.7056 0 5186 5075 2 Cosine 0.7056 37.992 37 0.701 0 9187 9197 11 Cosine 0.701 30.011 30 0.727 0 7902 9937 2 Cosine 0.727 -30.012 -30 0.7049 0 7902 6476 2 Cosine 0.7049 0.002 0 0.7216 0 7988 8005 28 Cosine 0.7216 -35.975 -35 0.8232 0 6058 6313 1 Cosine 0.8232 -77.988 -77 0.8085 0 6058 8959 1 Cosine 0.8085 -42.013 -42 0.851 0 6313 8959 1 Cosine 0.851 -0.001 0 0.8758 0 2449 2229 1 Cosine 0.8758 180.085 180 0.8738 0 2449 818 1 Cosine 0.8738 0.0 0 0.8932 0 17 8 53 Cosine 0.8932 -0.001 0 0.8303 0 9937 6476 2 Cosine 0.8303 -35.977 -35 0.8082 0 9937 9938 2 Cosine 0.8082 144.04 144 0.7392 0 4950 4536 1 Cosine 0.7392 180.087 180 0.9016 0 2229 818 1 Cosine 0.9016 0.0 0 0.8327 0 2229 2364 1 Cosine 0.8327 180.087 180 0.7104 0 2364 818 1 Cosine 0.7104 0.0 0 0.0 0 49 50 -1 MS1 annotation [2M-H]- [M+FA]- dm/z=67.98699 2.0 0.0 0 0.0 0 290 270 -1 MS1 annotation [M+?]- [M+HFA+?]- dm/z=46.0054 2.0 0.0 0 0.0 0 11230 11228 -1 MS1 annotation [M+FA]- [M-H]- dm/z=46.00589 2.0 0.0 0 0.0 0 6487 6490 -1 MS1 annotation [M+?]- [M-2H2O+?]- dm/z=36.02051 2.0 nf_output/networking/clustersummary_with_groups.tsv0000644000000000000000000031516314704537070022275 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_Type:GNPSGROUP:Sample1 ATTRIBUTE_Type:GNPSGROUP:Sample2 ATTRIBUTE_Type:GNPSGROUP:Sample3 ATTRIBUTE_Code:GNPSGROUP:OG16 ATTRIBUTE_Code:GNPSGROUP:OE19 ATTRIBUTE_Code:GNPSGROUP:OL22 ATTRIBUTE_Species:GNPSGROUP:O. graeca ATTRIBUTE_Species:GNPSGROUP:O. erecta ATTRIBUTE_Species:GNPSGROUP:O. leptantha 3 102.9567509451892 0.057033334 0.0 19482.783 22038.504 0.0 19482.783 22038.504 0.0 19482.783 22038.504 4 164.92672908658517 0.080516666 20198.314 22921.758 0.0 20198.314 22921.758 0.0 20198.314 22921.758 0.0 6 242.94315127836848 0.106866665 0.0 0.0 14318.794 0.0 0.0 14318.794 0.0 0.0 14318.794 8 174.95515876338052 0.21258333 0.0 0.0 50499.516 0.0 0.0 50499.516 0.0 0.0 50499.516 10 134.86502954570736 0.33723333 0.0 0.0 16059.395 0.0 0.0 16059.395 0.0 0.0 16059.395 11 164.92684841873526 0.33723333 0.0 0.0 25256.092 0.0 0.0 25256.092 0.0 0.0 25256.092 12 255.8212103738272 0.44343334 14552.476 0.0 0.0 14552.476 0.0 0.0 14552.476 0.0 0.0 14 102.95679574933274 0.44343334 18148.064 0.0 0.0 18148.064 0.0 0.0 18148.064 0.0 0.0 15 242.9425514265742 0.48636666 12712.038 0.0 13867.77 12712.038 0.0 13867.77 12712.038 0.0 13867.77 17 174.9549929852028 0.56815 46361.23 0.0 0.0 46361.23 0.0 0.0 46361.23 0.0 0.0 18 164.9265290260242 0.6346 21669.508 0.0 0.0 21669.508 0.0 0.0 21669.508 0.0 0.0 21 102.95669714993691 0.71888334 0.0 0.0 21994.982 0.0 0.0 21994.982 0.0 0.0 21994.982 24 164.92651486575662 0.8182 0.0 21320.166 0.0 0.0 21320.166 0.0 0.0 21320.166 0.0 25 174.95476491254738 0.8283917 0.0 45064.105 47867.74 0.0 45064.105 47867.74 0.0 45064.105 47867.74 27 255.82166062303108 0.85733336 13920.6 0.0 0.0 13920.6 0.0 0.0 13920.6 0.0 0.0 28 242.94270710663625 1.0209334 0.0 0.0 13814.688 0.0 0.0 13814.688 0.0 0.0 13814.688 42 272.9576953884091 1.1536334 121898.23 0.0 832670.8 121898.23 0.0 832670.8 121898.23 0.0 832670.8 49 158.97738539997613 1.1788722 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 123501.164 108535.086 401505.03 50 226.9643775532686 1.1516334 0.0 62226.78 0.0 0.0 62226.78 0.0 0.0 62226.78 0.0 57 322.1133667379883 1.1793333 233481.84 0.0 0.0 233481.84 0.0 0.0 233481.84 0.0 0.0 113 232.08135647177505 1.2175833 342834.6 0.0 0.0 342834.6 0.0 0.0 342834.6 0.0 0.0 154 280.9064083120511 1.2733 0.0 161803.12 0.0 0.0 161803.12 0.0 0.0 161803.12 0.0 199 326.9009987364341 1.31955 0.0 0.0 184274.9 0.0 0.0 184274.9 0.0 0.0 184274.9 218 128.95902957283622 1.3341278 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 307934.88 464566.97 407287.4 219 296.8808599993093 1.3341278 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 147957.05 272777.1 207007.69 220 380.8410906258793 1.34995 0.0 203847.08 0.0 0.0 203847.08 0.0 0.0 203847.08 0.0 270 216.0865670682372 1.4326667 0.0 0.0 397162.66 0.0 0.0 397162.66 0.0 0.0 397162.66 290 170.08116294188977 1.4692333 0.0 0.0 1046952.4 0.0 0.0 1046952.4 0.0 0.0 1046952.4 323 471.0733688479993 1.5006167 0.0 393905.44 0.0 0.0 393905.44 0.0 0.0 393905.44 0.0 382 322.1147187473182 1.4831333 382839.0 0.0 0.0 382839.0 0.0 0.0 382839.0 0.0 0.0 392 239.0776433098742 1.5575583 0.0 701897.25 814761.0 0.0 701897.25 814761.0 0.0 701897.25 814761.0 393 387.11414429466186 1.53275 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 1549040.9 1639345.1 2814790.5 413 341.1091243835329 1.5450388 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 1638630.6 1723985.0 1902651.6 430 278.1253263602286 1.5554167 2152123.8 0.0 0.0 2152123.8 0.0 0.0 2152123.8 0.0 0.0 522 292.1412018952949 1.5554167 2349752.0 0.0 0.0 2349752.0 0.0 0.0 2349752.0 0.0 0.0 548 177.07634529718433 1.61335 0.0 0.0 1480046.6 0.0 0.0 1480046.6 0.0 0.0 1480046.6 640 290.08915719629806 1.6624 3875673.8 0.0 0.0 3875673.8 0.0 0.0 3875673.8 0.0 0.0 694 133.01540560538447 1.68355 0.0 2280436.0 0.0 0.0 2280436.0 0.0 0.0 2280436.0 0.0 746 618.2285222985394 1.698 757666.4 0.0 0.0 757666.4 0.0 0.0 757666.4 0.0 0.0 803 135.03041180383136 1.7565334 0.0 0.0 601554.94 0.0 0.0 601554.94 0.0 0.0 601554.94 809 429.0703462095502 1.758 0.0 193565.34 0.0 0.0 193565.34 0.0 0.0 193565.34 0.0 812 209.06798929580447 1.758 0.0 193975.83 0.0 0.0 193975.83 0.0 0.0 193975.83 0.0 818 533.1749982581882 1.7927166 0.0 0.0 3441563.8 0.0 0.0 3441563.8 0.0 0.0 3441563.8 819 165.0411091334315 1.78575 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 1132452.1 503668.38 2867601.5 826 179.05681439148083 1.82885 0.0 0.0 442448.88 0.0 0.0 442448.88 0.0 0.0 442448.88 827 191.0563511523059 1.799625 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 890090.75 0.0 3157643.2 843 699.224903071726 1.8198667 345708.1 174612.05 0.0 345708.1 174612.05 0.0 345708.1 174612.05 0.0 846 195.0515000310254 1.8228611 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 9114859.0 7941207.5 655155.94 905 115.0056782876462 1.91005 0.0 313040.22 0.0 0.0 313040.22 0.0 0.0 313040.22 0.0 917 133.01504339631828 1.910175 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 542094.44 0.0 1277907.0 941 794.2600182543151 1.9185 239636.06 0.0 0.0 239636.06 0.0 0.0 239636.06 0.0 0.0 945 267.0738332757238 1.95575 332792.62 0.0 0.0 332792.62 0.0 0.0 332792.62 0.0 0.0 946 377.0888908773292 1.9224167 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 714483.4 603844.2 1288299.1 961 439.0908563836838 1.91005 0.0 736387.1 0.0 0.0 736387.1 0.0 0.0 736387.1 0.0 997 215.0336793267746 1.9923167 664804.2 0.0 0.0 664804.2 0.0 0.0 664804.2 0.0 0.0 1033 366.1353342363912 2.0488167 0.0 0.0 419620.38 0.0 0.0 419620.38 0.0 0.0 419620.38 1099 200.0575271274897 2.0648334 687691.25 0.0 0.0 687691.25 0.0 0.0 687691.25 0.0 0.0 1104 405.152910124191 2.0648334 4224918.0 0.0 0.0 4224918.0 0.0 0.0 4224918.0 0.0 0.0 1108 290.089947132568 2.0804777 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 9344284.0 1077685.9 667967.56 1110 339.1312968292781 2.0845168 0.0 0.0 2930206.0 0.0 0.0 2930206.0 0.0 0.0 2930206.0 1134 133.01532825694477 2.0920832 0.0 3090579.5 0.0 0.0 3090579.5 0.0 0.0 3090579.5 0.0 1230 191.0207133583248 2.1241167 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 0.0 1243670.8 3068319.8 1245 177.07673164509933 2.1284165 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 2451105.8 0.0 8994425.0 1420 197.0459634483982 2.2506418 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 0.0 791359.4 1365184.9 1431 515.1447095761437 2.2454166 204038.78 0.0 0.0 204038.78 0.0 0.0 204038.78 0.0 0.0 1432 448.1774094975533 2.22885 0.0 0.0 1066166.1 0.0 0.0 1066166.1 0.0 0.0 1066166.1 1452 103.00551150090584 2.30995 0.0 204194.9 0.0 0.0 204194.9 0.0 0.0 204194.9 0.0 1483 479.1224386314688 2.2833166 543078.3 0.0 0.0 543078.3 0.0 0.0 543078.3 0.0 0.0 1512 295.02617183908734 2.30995 0.0 475704.5 0.0 0.0 475704.5 0.0 0.0 475704.5 0.0 1527 232.08428929624463 2.30995 0.0 352893.84 0.0 0.0 352893.84 0.0 0.0 352893.84 0.0 1528 377.0892377454575 2.3206666 222317.72 0.0 0.0 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68291.56 0.0 0.0 68291.56 0.0 0.0 68291.56 0.0 13330 617.3856825623724 39.7063 0.0 0.0 129192.81 0.0 0.0 129192.81 0.0 0.0 129192.81 13343 293.20995681240186 39.73225 160776.1 0.0 0.0 160776.1 0.0 0.0 160776.1 0.0 0.0 13361 537.3275877187647 39.74565 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 500434.97 63392.0 318475.94 13368 687.5775288750147 39.7592 0.0 80026.17 0.0 0.0 80026.17 0.0 0.0 80026.17 0.0 13374 823.4700804957992 39.77106 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 173962.98 84370.305 235326.22 13386 323.22179611528946 39.80142 0.0 81582.24 0.0 0.0 81582.24 0.0 0.0 81582.24 0.0 13396 243.1958110991209 39.810417 178442.86 0.0 0.0 178442.86 0.0 0.0 178442.86 0.0 0.0 13401 426.2852359925779 39.85005 173045.39 0.0 0.0 173045.39 0.0 0.0 173045.39 0.0 0.0 13419 410.3262256053663 39.8878 0.0 40898.047 0.0 0.0 40898.047 0.0 0.0 40898.047 0.0 13425 406.2619699419129 39.8893 157783.8 0.0 0.0 157783.8 0.0 0.0 157783.8 0.0 0.0 13447 967.7430740680832 39.9026 0.0 0.0 84330.78 0.0 0.0 84330.78 0.0 0.0 84330.78 13460 269.2111277043415 39.936382 0.0 30287.016 0.0 0.0 30287.016 0.0 0.0 30287.016 0.0 13461 727.4143101002873 39.93589 132147.14 0.0 138396.56 132147.14 0.0 138396.56 132147.14 0.0 138396.56 13466 479.27978047315946 39.98515 0.0 82554.055 0.0 0.0 82554.055 0.0 0.0 82554.055 0.0 13496 397.3328848936912 39.981316 0.0 0.0 234848.03 0.0 0.0 234848.03 0.0 0.0 234848.03 13500 570.5102404413517 39.981316 0.0 0.0 221591.17 0.0 0.0 221591.17 0.0 0.0 221591.17 13501 606.4865204590109 39.981316 0.0 0.0 239481.72 0.0 0.0 239481.72 0.0 0.0 239481.72 nf_output/BERKELEY-LAB.mgf.tsv0000644000000000000000000000000114704537050014677 0ustar rootroot nf_output/library_intermediate/0000755000000000000000000000000014704542556016011 5ustar rootrootnf_output/library_intermediate/merged_results.tsv0000644000000000000000000030036014704542556021575 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 6668 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.987005 0 0 192.79 188260.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf6668 -1 MONA.mgf 5619.98 10 0 2.01801 357.059 0 CCMSLIB00004692297 4536 spectra_filtered.mgf *..* :2158 47365 -1 0 609.146 -1 0.984834 0 0 168.735 977800.0 Rutin [M-H]- MONA temp/spectra_filtered.mgf4536 -1 MONA.mgf 3314.15 13 0 2.0188 607.127 0 CCMSLIB00004719965 6741 spectra_filtered.mgf *..* :21366 21366 -1 0 359.077 -1 0.98129 0 0 361.743 207520.0 rosmarinic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6741 -1 MSNLIB-NEGATIVE.mgf 5621.34 7 0 2.01849 357.059 0 CCMSLIB00012323714 5857 spectra_filtered.mgf *..* :18094 30093 -1 0 607.167 -1 0.981095 0 0 1608.0 63550.0 Massbank:PR306260 Diosmetin-7-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf5857 -1 MASSBANK.mgf 10.0524 5 0 0.00610352 607.161 0 CCMSLIB00005743645 6768 spectra_filtered.mgf *..* :21366 21366 -1 0 359.077 -1 0.970601 0 0 361.743 27340.0 rosmarinic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6768 -1 MSNLIB-NEGATIVE.mgf 4.75938 7 0 0.00170898 359.075 0 CCMSLIB00012323714 3883 spectra_filtered.mgf *..* :525 677 -1 0 577.16 -1 0.968905 0 0 1254.0 80330.0 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV M-H SUMNER temp/spectra_filtered.mgf3883 -1 SUMNER.mgf 55417.5 4 0 31.9847 609.145 0 CCMSLIB00004683912 818 spectra_filtered.mgf *..* :1 14555 -1 0 353.088 -1 0.968266 0 0 2783750.0 83340.0 Chlorogenic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf818 -1 GNPS-LIBRARY.mgf 510034.0 6 0 180.087 533.175 0 CCMSLIB00012725749 7837 spectra_filtered.mgf *..* :13735 25734 -1 0 359.077 -1 0.967491 0 0 1896.0 15390.0 Massbank:PR305746 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf7837 -1 MASSBANK.mgf 44539.7 7 0 15.9932 343.084 0 CCMSLIB00005739286 6530 spectra_filtered.mgf *..* :537 491 -1 0 359.077 -1 0.965842 0 0 200.776 76600.0 rosmarinic acid [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf6530 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 100184.0 7 0 35.9739 395.051 0 CCMSLIB00012253610 6833 spectra_filtered.mgf *..* :13735 25734 -1 0 359.077 -1 0.963967 0 0 1896.0 37510.0 Massbank:PR305746 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6833 -1 MASSBANK.mgf 100187.0 10 0 35.9747 395.052 0 CCMSLIB00005739286 5457 spectra_filtered.mgf *..* :24129 36128 -1 0 595.167 -1 0.963355 0 0 929.0 67540.0 Massbank:PR306154 Eriodictyol-7-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf5457 -1 MASSBANK.mgf 30268.4 5 0 18.0148 577.152 0 CCMSLIB00005749680 6460 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.961747 0 0 192.79 66760.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf6460 -1 MONA.mgf 100189.0 9 0 35.9755 395.052 0 CCMSLIB00004692297 4296 spectra_filtered.mgf *..* :2241 47465 -1 0 447.093 -1 0.9617 0 0 111.408 1675640.0 luteolin 4'-O-glucoside [M-H]- MONA temp/spectra_filtered.mgf4296 -1 MONA.mgf 322175.0 12 0 144.042 591.135 0 CCMSLIB00004720065 4319 spectra_filtered.mgf *..* :525 677 -1 0 577.16 -1 0.961585 0 0 1254.0 196040.0 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV M-H SUMNER temp/spectra_filtered.mgf4319 -1 SUMNER.mgf 27702.6 4 0 15.9888 593.149 0 CCMSLIB00004683912 6407 spectra_filtered.mgf *..* :52737 64736 -1 0 607.167 -1 0.960845 0 0 179568.0 23640.0 Massbank:FIO01058 Diosmin M-H MASSBANK temp/spectra_filtered.mgf6407 -1 MASSBANK.mgf 9.0472 6 0 0.00549316 607.161 0 CCMSLIB00005778288 4855 spectra_filtered.mgf *..* :169 321 -1 0 609.151 -1 0.960782 0 0 928.0 109900.0 Luteolin-7,3'-di-O-glucoside - 20eV M-H SUMNER temp/spectra_filtered.mgf4855 -1 SUMNER.mgf 469566.0 4 0 286.037 895.188 0 CCMSLIB00004683556 4108 spectra_filtered.mgf *..* :15905 27904 -1 0 431.098 -1 0.959617 0 0 418.0 103750.0 Massbank:PR306110 Kaempferol-3-O-rhamnoside M-H MASSBANK temp/spectra_filtered.mgf4108 -1 MASSBANK.mgf 375902.0 4 0 162.051 593.149 0 CCMSLIB00005741456 5495 spectra_filtered.mgf *..* :16663 28662 -1 0 593.151 -1 0.958945 0 0 1141.0 51800.0 Massbank:PR306636 Kaempferol-3-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf5495 -1 MASSBANK.mgf 3.1899 9 0 0.00189209 593.149 0 CCMSLIB00005742214 2229 spectra_filtered.mgf *..* :1 14556 -1 0 353.088 -1 0.957018 0 0 2988000.0 210860.0 Chlorogenic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf2229 -1 GNPS-LIBRARY.mgf 0.518583 9 0 0.000183105 353.088 0 CCMSLIB00012725750 6385 spectra_filtered.mgf *..* :19466 31465 -1 0 359.077 -1 0.956469 0 0 2293.0 18030.0 Massbank:PR305759 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6385 -1 MASSBANK.mgf 100183.0 8 0 35.9733 395.05 0 CCMSLIB00005745017 8827 spectra_filtered.mgf *..* :61627 61625 -1 0 285.04 -1 0.955607 0 0 288.857 74050.0 luteolin [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8827 -1 MSNLIB-NEGATIVE.mgf 7074.16 16 0 2.01642 283.024 0 CCMSLIB00012403819 6691 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.95288 0 0 192.79 37300.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf6691 -1 MONA.mgf 100193.0 8 0 35.9771 395.054 0 CCMSLIB00004692297 1740 spectra_filtered.mgf *..* :11309 29772 -1 0 353.088 -1 0.952869 0 0 122.508 52150.0 CHLOROGENIC ACID [M-H]- MONA temp/spectra_filtered.mgf1740 -1 MONA.mgf 90708.5 9 0 32.0281 385.116 0 CCMSLIB00004702372 6497 spectra_filtered.mgf *..* :21366 21366 -1 0 359.077 -1 0.952855 0 0 361.743 10530.0 rosmarinic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6497 -1 MSNLIB-NEGATIVE.mgf 7.47903 7 0 0.00268555 359.074 0 CCMSLIB00012323714 6870 spectra_filtered.mgf *..* :21366 21366 -1 0 359.077 -1 0.951919 0 0 361.743 20330.0 rosmarinic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6870 -1 MSNLIB-NEGATIVE.mgf 1.10486 6 0 0.000396729 359.077 0 CCMSLIB00012323714 2745 spectra_filtered.mgf *..* :196133 196133 -1 0 525.2 -1 0.951581 0 0 1649.0 9430.0 10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf2745 -1 BMDMS-NP.mgf 739105.0 4 0 388.178 137.022 0 CCMSLIB00006550433 8816 spectra_filtered.mgf *..* :20364 32363 -1 0 287.056 -1 0.948806 0 0 1433.0 27950.0 Massbank:PR306202 Eriodictyol M-H MASSBANK temp/spectra_filtered.mgf8816 -1 MASSBANK.mgf 7025.75 9 0 2.01678 285.039 0 CCMSLIB00005745915 5904 spectra_filtered.mgf *..* :17609 29608 -1 0 609.146 -1 0.947785 0 0 2333.0 23410.0 Massbank:PR307138 Kaempferol 3-O-sophoroside M-H MASSBANK temp/spectra_filtered.mgf5904 -1 MASSBANK.mgf 266035.0 10 0 162.054 447.092 0 CCMSLIB00005743160 6374 spectra_filtered.mgf *..* :21944 33943 -1 0 447.093 -1 0.946522 0 0 1305.0 17730.0 Massbank:PR305718 Luteolin-4'-O-glucoside M-H MASSBANK temp/spectra_filtered.mgf6374 -1 MASSBANK.mgf 4.43676 7 0 0.00198364 447.091 0 CCMSLIB00005747495 7561 spectra_filtered.mgf *..* :1334 19797 -1 0 537.104 -1 0.943803 0 0 323.728 87390.0 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid [M-H]- MONA temp/spectra_filtered.mgf7561 -1 MONA.mgf 85652.9 14 0 46.0045 491.099 0 CCMSLIB00004692397 6730 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.942483 0 0 192.79 48810.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf6730 -1 MONA.mgf 100182.0 9 0 35.9732 395.05 0 CCMSLIB00004692297 4526 spectra_filtered.mgf *..* :52630 64629 -1 0 447.093 -1 0.94179 0 0 65218.2 78170.0 Massbank:FIO00586 Quercitrin M-H MASSBANK temp/spectra_filtered.mgf4526 -1 MASSBANK.mgf 362453.0 9 0 162.05 609.143 0 CCMSLIB00005778181 5420 spectra_filtered.mgf *..* :711 19174 -1 0 187.04 -1 0.939224 0 0 110.472 5550.0 1-Hydroxy-2-naphthoic acid [M-H]- MONA temp/spectra_filtered.mgf5420 -1 MONA.mgf 267410.0 4 0 50.0164 137.024 0 CCMSLIB00004691774 4848 spectra_filtered.mgf *..* :14529 26528 -1 0 447.093 -1 0.938539 0 0 1802.0 38210.0 Massbank:PR305576 Luteolin-7-O-glucoside M-H MASSBANK temp/spectra_filtered.mgf4848 -1 MASSBANK.mgf 6.00669 7 0 0.00268555 447.09 0 CCMSLIB00005740080 5819 spectra_filtered.mgf *..* :16690 28689 -1 0 431.098 -1 0.9362 0 0 1369.0 20780.0 Massbank:PR306341 Pelargonidin-3-O-glucoside M-2H MASSBANK temp/spectra_filtered.mgf5819 -1 MASSBANK.mgf 338795.0 5 0 146.054 577.152 0 CCMSLIB00005742241 6739 spectra_filtered.mgf *..* :24053 36052 -1 0 359.077 -1 0.934635 0 0 10030.0 93000.0 Massbank:PR308806 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6739 -1 MASSBANK.mgf 997202.0 10 0 358.072 717.149 0 CCMSLIB00005749604 3429 spectra_filtered.mgf *..* :61062 61060 -1 0 367.103 -1 0.933059 0 0 163.811 33090.0 Methyl chlorogenate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3429 -1 MSNLIB-NEGATIVE.mgf 1.33009 7 0 0.000488281 367.103 0 CCMSLIB00012402698 3689 spectra_filtered.mgf *..* :24129 36128 -1 0 595.167 -1 0.932914 0 0 929.0 47030.0 Massbank:PR306154 Eriodictyol-7-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf3689 -1 MASSBANK.mgf 23483.8 6 0 13.9768 609.144 0 CCMSLIB00005749680 6749 spectra_filtered.mgf *..* :21761 33760 -1 0 719.2 -1 0.932424 0 0 16170.3 40830.0 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid M+H MASSBANK temp/spectra_filtered.mgf6749 -1 MASSBANK.mgf 48.543 9 0 0.0349121 719.165 0 CCMSLIB00005747312 2449 spectra_filtered.mgf *..* :1 14554 -1 0 353.088 -1 0.931176 0 0 3394090.0 11680.0 Chlorogenic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf2449 -1 GNPS-LIBRARY.mgf 4.2351 7 0 0.00149536 353.09 0 CCMSLIB00012725748 4971 spectra_filtered.mgf *..* :19466 31465 -1 0 359.077 -1 0.930982 0 0 2293.0 11190.0 Massbank:PR305759 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf4971 -1 MASSBANK.mgf 89186.5 7 0 32.0248 391.102 0 CCMSLIB00005745017 6888 spectra_filtered.mgf *..* :182 686 -1 0 359.077 -1 0.930573 0 0 31717400.0 16140.0 Rosmarinic acid M-H LEAFBOT temp/spectra_filtered.mgf6888 -1 LEAFBOT.mgf 100191.0 7 0 35.9764 395.053 0 CCMSLIB00012725655 2228 spectra_filtered.mgf *..* :7041 39 -1 0 353.087 -1 0.929828 0 0 108806.0 425100.0 Spectral Match to Chlorogenic acid from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf2228 -1 GNPS-NIST14-MATCHES.mgf 5702.01 9 0 2.01331 351.074 0 CCMSLIB00003134525 6328 spectra_filtered.mgf *..* :22388 34387 -1 0 431.098 -1 0.929368 0 0 1508.0 30890.0 Massbank:PR306046 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one M-H MASSBANK temp/spectra_filtered.mgf6328 -1 MASSBANK.mgf 4.60137 6 0 0.00198364 431.096 0 CCMSLIB00005747939 6273 spectra_filtered.mgf *..* :186 338 -1 0 607.2 -1 0.928895 0 0 1429.0 14690.0 Diosmin - 40eV M-H SUMNER temp/spectra_filtered.mgf6273 -1 SUMNER.mgf 59187.4 5 0 35.9386 643.139 0 CCMSLIB00004683573 2498 spectra_filtered.mgf *..* :52517 64516 -1 0 152.035 -1 0.928831 0 0 6843.0 5410.0 Massbank:FIO00673 3-Hydroxyanthranilic acid M-H MASSBANK temp/spectra_filtered.mgf2498 -1 MASSBANK.mgf 98745.1 4 0 15.0127 137.022 0 CCMSLIB00005778068 3440 spectra_filtered.mgf *..* :61062 61060 -1 0 367.103 -1 0.927812 0 0 163.811 28560.0 Methyl chlorogenate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3440 -1 MSNLIB-NEGATIVE.mgf 10778.7 7 0 3.95691 363.146 0 CCMSLIB00012402698 8999 spectra_filtered.mgf *..* :20781 32780 -1 0 179.035 -1 0.927555 0 0 1211.0 155070.0 Massbank:PR307093 trans-Caffeic acid M-H MASSBANK temp/spectra_filtered.mgf8999 -1 MASSBANK.mgf 1072650.0 5 0 192.042 371.077 0 CCMSLIB00005746332 9574 spectra_filtered.mgf *..* :16987 35450 -1 0 593.13 -1 0.926965 0 0 125.324 51890.0 [6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf9574 -1 MONA.mgf 26973.5 9 0 15.9988 577.131 0 CCMSLIB00004708050 9003 spectra_filtered.mgf *..* :20781 32780 -1 0 179.035 -1 0.926494 0 0 1211.0 53590.0 Massbank:PR307093 trans-Caffeic acid M-H MASSBANK temp/spectra_filtered.mgf9003 -1 MASSBANK.mgf 1083900.0 5 0 194.057 373.092 0 CCMSLIB00005746332 4980 spectra_filtered.mgf *..* :18837 30836 -1 0 433.078 -1 0.926221 0 0 2949.0 5850.0 Massbank:PR306741 Quercetin-3-O-xyloside M-H MASSBANK temp/spectra_filtered.mgf4980 -1 MASSBANK.mgf 69293.1 8 0 30.0093 463.087 0 CCMSLIB00005744388 4674 spectra_filtered.mgf *..* :169 321 -1 0 609.151 -1 0.926153 0 0 928.0 52680.0 Luteolin-7,3'-di-O-glucoside - 20eV M-H SUMNER temp/spectra_filtered.mgf4674 -1 SUMNER.mgf 469569.0 4 0 286.039 895.19 0 CCMSLIB00004683556 4850 spectra_filtered.mgf *..* :172 324 -1 0 609.14 -1 0.925331 0 0 1577.0 24970.0 Luteolin-7,3'-di-O-glucoside - 50eV M-H SUMNER temp/spectra_filtered.mgf4850 -1 SUMNER.mgf 206968.0 5 0 126.073 483.067 0 CCMSLIB00004683559 3470 spectra_filtered.mgf *..* :3672 3672 -1 0 353.088 -1 0.923122 0 0 29560900.0 12770.0 Chlorogenic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf3470 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 45302.9 7 0 15.9959 337.092 0 CCMSLIB00006121436 3648 spectra_filtered.mgf *..* :2293 53417 -1 0 271.082 -1 0.922359 0 0 109.2 5220.0 ALPHA-ARBUTIN M-H MONA temp/spectra_filtered.mgf3648 -1 MONA.mgf 383825.0 4 0 104.048 167.034 0 CCMSLIB00006682446 5117 spectra_filtered.mgf *..* :505 505 -1 0 121.029 -1 0.920058 0 0 2657.0 10690.0 4-HYDROXYBENZALDEHYDE [M-H]- PSU-MSMLS temp/spectra_filtered.mgf5117 -1 PSU-MSMLS.mgf 247957.0 4 0 30.01 151.039 0 CCMSLIB00005720827 6445 spectra_filtered.mgf *..* :21789 33788 -1 0 359.077 -1 0.919612 0 0 1518.0 4790.0 Massbank:PR305753 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6445 -1 MASSBANK.mgf 128132.0 5 0 46.0093 313.068 0 CCMSLIB00005747340 9810 spectra_filtered.mgf *..* :24 24 -1 0 269.046 -1 0.918864 0 0 159.0 14050.0 Apigenin 40eV M-H PHENOLICSDB temp/spectra_filtered.mgf9810 -1 PHENOLICSDB.mgf 3.62972 7 0 0.000976562 269.045 0 CCMSLIB00012079445 819 spectra_filtered.mgf *..* :1031 52155 -1 0 149.046 -1 0.917729 0 0 134.0 4140.0 ARABINOSE M-H MONA temp/spectra_filtered.mgf819 -1 MONA.mgf 107317.0 4 0 15.9951 165.041 0 CCMSLIB00006681184 6016 spectra_filtered.mgf *..* :520 672 -1 0 431.096 -1 0.916864 0 0 1288.0 23150.0 Apigenin-7-O-glucoside (Apigetrin) - 40eV M-H SUMNER temp/spectra_filtered.mgf6016 -1 SUMNER.mgf 2.05293 5 0 0.00088501 431.097 0 CCMSLIB00004683907 522 spectra_filtered.mgf *..* :1562 13054 -1 0 389.125 -1 0.916656 0 0 186832.0 33750.0 Polydatin M-H GNPS-LIBRARY temp/spectra_filtered.mgf522 -1 GNPS-LIBRARY.mgf 249236.0 6 0 96.9838 292.141 0 CCMSLIB00010152873 4826 spectra_filtered.mgf *..* :172 324 -1 0 609.14 -1 0.916549 0 0 1577.0 25950.0 Luteolin-7,3'-di-O-glucoside - 50eV M-H SUMNER temp/spectra_filtered.mgf4826 -1 SUMNER.mgf 170881.0 5 0 104.09 505.05 0 CCMSLIB00004683559 6058 spectra_filtered.mgf *..* :19123 31122 -1 0 431.098 -1 0.916511 0 0 1508.0 16600.0 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one M-H MASSBANK temp/spectra_filtered.mgf6058 -1 MASSBANK.mgf 2.54845 5 0 0.00109863 431.097 0 CCMSLIB00005744674 2473 spectra_filtered.mgf *..* :11309 29772 -1 0 353.088 -1 0.916257 0 0 122.508 75050.0 CHLOROGENIC ACID [M-H]- MONA temp/spectra_filtered.mgf2473 -1 MONA.mgf 5698.88 7 0 2.01221 351.076 0 CCMSLIB00004702372 2363 spectra_filtered.mgf *..* :3668 3668 -1 0 353.088 -1 0.916233 0 0 28150000.0 102480.0 Chlorogenic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf2363 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 5702.6 8 0 2.01352 351.074 0 CCMSLIB00006121428 6524 spectra_filtered.mgf *..* :3157 21620 -1 0 359.077 -1 0.915688 0 0 195.721 11040.0 ROSMARINIC ACID [M-H]- MONA temp/spectra_filtered.mgf6524 -1 MONA.mgf 1002800.0 8 0 360.081 719.158 0 CCMSLIB00004694220 8212 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.91467 0 0 125785.0 112130.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8212 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 5624.13 16 0 4.03333 713.113 0 CCMSLIB00000845756 8375 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.914442 0 0 125785.0 197670.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8375 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 2811.73 17 0 2.01642 715.13 0 CCMSLIB00000845756 6644 spectra_filtered.mgf *..* :21789 33788 -1 0 359.077 -1 0.91396 0 0 1518.0 6730.0 Massbank:PR305753 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6644 -1 MASSBANK.mgf 128127.0 4 0 46.0073 313.07 0 CCMSLIB00005747340 3428 spectra_filtered.mgf *..* :30538 30538 -1 0 218.073 -1 0.91251 0 0 130.048 9220.0 1-HYDROXYPYRENE [M]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf3428 -1 MSNLIB-POSITIVE.mgf 445007.0 4 0 97.0441 121.029 0 CCMSLIB00012328786 430 spectra_filtered.mgf *..* :14161 26160 -1 0 479.118 -1 0.910518 0 0 1285.0 56760.0 Massbank:PR303058 Petunidin-3-O-beta-glucoside M MASSBANK temp/spectra_filtered.mgf430 -1 MASSBANK.mgf 419506.0 5 0 200.993 278.125 0 CCMSLIB00005739712 4869 spectra_filtered.mgf *..* :14188 26187 -1 0 447.093 -1 0.909134 0 0 1813.0 9460.0 Massbank:PR305600 Luteolin-7-O-glucoside M-H MASSBANK temp/spectra_filtered.mgf4869 -1 MASSBANK.mgf 129630.0 5 0 57.9566 505.05 0 CCMSLIB00005739739 4725 spectra_filtered.mgf *..* :4402 55526 -1 0 359.077 -1 0.907658 0 0 213.8 17350.0 ROSMARINIC ACID M-H MONA temp/spectra_filtered.mgf4725 -1 MONA.mgf 89189.5 7 0 32.0259 391.103 0 CCMSLIB00006684555 7768 spectra_filtered.mgf *..* :18319 36782 -1 0 319.081 -1 0.907055 0 0 121.243 5410.0 methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate [M+H]+ MONA temp/spectra_filtered.mgf7768 -1 MONA.mgf 445105.0 4 0 142.024 177.057 0 CCMSLIB00004709382 9938 spectra_filtered.mgf *..* :7512 25975 -1 0 455.12 -1 0.906711 0 0 142.527 46300.0 apiosylskimmin [M-H]- MONA temp/spectra_filtered.mgf9938 -1 MONA.mgf 233064.0 5 0 106.072 349.048 0 CCMSLIB00004698575 3638 spectra_filtered.mgf *..* :23676 35675 -1 0 163.04 -1 0.904614 0 0 1141.0 13580.0 Massbank:PR305564 3-Hydroxycinnamic acid M-H MASSBANK temp/spectra_filtered.mgf3638 -1 MASSBANK.mgf 895831.0 4 0 146.056 309.096 0 CCMSLIB00005749227 5418 spectra_filtered.mgf *..* :148 318 -1 0 169.05 -1 0.904431 0 0 251.0 1950.0 Vanillic acid 40eV M+H PHENOLICSDB temp/spectra_filtered.mgf5418 -1 PHENOLICSDB.mgf 141965.0 4 0 23.9991 193.049 0 CCMSLIB00012079739 548 spectra_filtered.mgf *..* :6787 6787 -1 0 121.051 -1 0.904162 0 0 3939280.0 4210.0 Erythritol - 30.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf548 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 462824.0 4 0 56.0253 177.076 0 CCMSLIB00006126398 4687 spectra_filtered.mgf *..* :172 324 -1 0 609.14 -1 0.904053 0 0 1577.0 21570.0 Luteolin-7,3'-di-O-glucoside - 50eV M-H SUMNER temp/spectra_filtered.mgf4687 -1 SUMNER.mgf 170878.0 5 0 104.089 505.051 0 CCMSLIB00004683559 4531 spectra_filtered.mgf *..* :19 308 -1 0 137.024 -1 0.9036 0 0 5190360.0 6250.0 4-HYDROXYBENZOATE M-H GNPS-MSMLS temp/spectra_filtered.mgf4531 -1 GNPS-MSMLS.mgf 321026.0 4 0 43.9882 181.012 0 CCMSLIB00005464059 7177 spectra_filtered.mgf *..* :52470 64469 -1 0 593.151 -1 0.903536 0 0 7874.0 37260.0 Massbank:FIO00178 Kaempferol-7-neohesperidoside M-H MASSBANK temp/spectra_filtered.mgf7177 -1 MASSBANK.mgf 97791.9 5 0 58.0054 651.156 0 CCMSLIB00005778021 5462 spectra_filtered.mgf *..* :13966 32429 -1 0 563.141 -1 0.903234 0 0 127.434 16420.0 Apiin [M-H]- MONA temp/spectra_filtered.mgf5462 -1 MONA.mgf 145607.0 8 0 81.9975 645.138 0 CCMSLIB00004705029 2215 spectra_filtered.mgf *..* :1 14554 -1 0 353.088 -1 0.902943 0 0 3394090.0 48480.0 Chlorogenic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf2215 -1 GNPS-LIBRARY.mgf 1002860.0 9 0 354.097 707.185 0 CCMSLIB00012725748 11814 spectra_filtered.mgf *..* :34 140 -1 0 564.329 -1 0.899865 0 0 1354.0 11630.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV M-H SUMNER temp/spectra_filtered.mgf11814 -1 SUMNER.mgf 17769.0 5 0 10.0276 554.301 0 CCMSLIB00004683375 2127 spectra_filtered.mgf *..* :7022 6211 -1 0 515.12 -1 0.899006 0 0 125.483 33410.0 19870-46-3 [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf2127 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 372854.0 4 0 192.064 707.184 0 CCMSLIB00012263091 1230 spectra_filtered.mgf *..* :479 18942 -1 0 191.02 -1 0.897087 0 0 230.707 6740.0 Citric acid [M-H]- MONA temp/spectra_filtered.mgf1230 -1 MONA.mgf 3.67451 5 0 0.000701904 191.021 0 CCMSLIB00004691542 8678 spectra_filtered.mgf *..* :62186 62184 -1 0 551.12 -1 0.896534 0 0 249.889 131280.0 Monomethyl lithospermate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8678 -1 MSNLIB-NEGATIVE.mgf 3727.87 13 0 2.0545 549.065 0 CCMSLIB00012404918 4449 spectra_filtered.mgf *..* :3030 13244 -1 0 623.199 -1 0.896383 0 0 214016.0 30650.0 Acteoside M-H GNPS-LIBRARY temp/spectra_filtered.mgf4449 -1 GNPS-LIBRARY.mgf 4.30929 14 0 0.00268555 623.196 0 CCMSLIB00011428970 4641 spectra_filtered.mgf *..* :13415 25414 -1 0 739.209 -1 0.895898 0 0 1549.0 11280.0 Massbank:PR306882 Kaempferol-3-O-galactoside-6''-rhamnoside-3'''-rha M-H MASSBANK temp/spectra_filtered.mgf4641 -1 MASSBANK.mgf 346507.0 4 0 256.141 483.068 0 CCMSLIB00005738966 4729 spectra_filtered.mgf *..* :60 51184 -1 0 124.991 -1 0.895736 0 0 113.8 20250.0 ETHYL SULFATE M-H MONA temp/spectra_filtered.mgf4729 -1 MONA.mgf 1441020.0 4 0 180.114 305.105 0 CCMSLIB00006680213 5447 spectra_filtered.mgf *..* :6966 6167 -1 0 391.102 -1 0.894786 0 0 148.452 4380.0 TAK-041 [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf5447 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 506396.0 4 0 198.052 193.049 0 CCMSLIB00012263005 4644 spectra_filtered.mgf *..* :15100 33563 -1 0 431.098 -1 0.892881 0 0 165.538 11200.0 afzelin [M-H]- MONA temp/spectra_filtered.mgf4644 -1 MONA.mgf 194806.0 6 0 83.9804 515.078 0 CCMSLIB00004706163 7408 spectra_filtered.mgf *..* :174951 174951 -1 0 603.205 -1 0.891582 0 0 1424.0 29300.0 Episyringaresinol 4'-O-beta-D-glncopyranoside [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf7408 -1 BMDMS-NP.mgf 129248.0 4 0 77.963 681.168 0 CCMSLIB00006529251 4827 spectra_filtered.mgf *..* :169 321 -1 0 609.151 -1 0.890491 0 0 928.0 17980.0 Luteolin-7,3'-di-O-glucoside - 20eV M-H SUMNER temp/spectra_filtered.mgf4827 -1 SUMNER.mgf 162628.0 4 0 99.0648 510.086 0 CCMSLIB00004683556 694 spectra_filtered.mgf *..* :20 267 -1 0 149.009 -1 0.890286 0 0 974308.0 5440.0 TARTRATE M-H GNPS-MSMLS temp/spectra_filtered.mgf694 -1 GNPS-MSMLS.mgf 107333.0 5 0 15.9936 133.015 0 CCMSLIB00005464018 4853 spectra_filtered.mgf *..* :172 324 -1 0 609.14 -1 0.890183 0 0 1577.0 12630.0 Luteolin-7,3'-di-O-glucoside - 50eV M-H SUMNER temp/spectra_filtered.mgf4853 -1 SUMNER.mgf 154419.0 5 0 94.0628 515.077 0 CCMSLIB00004683559 8959 spectra_filtered.mgf *..* :19123 31122 -1 0 431.098 -1 0.888404 0 0 1508.0 8490.0 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one M-H MASSBANK temp/spectra_filtered.mgf8959 -1 MASSBANK.mgf 180904.0 4 0 77.9873 509.085 0 CCMSLIB00005744674 5397 spectra_filtered.mgf *..* :16663 28662 -1 0 593.151 -1 0.887895 0 0 1141.0 17820.0 Massbank:PR306636 Kaempferol-3-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf5397 -1 MASSBANK.mgf 0.514499 7 0 0.000305176 593.151 0 CCMSLIB00005742214 10464 spectra_filtered.mgf *..* :1719 559 -1 0 172.097 -1 0.886942 0 0 99491800.0 18340.0 N-ACETYL-L-LEUCINE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf10464 -1 GNPS-EMBL-MCF.mgf 872202.0 5 0 150.103 322.2 0 CCMSLIB00000578349 6409 spectra_filtered.mgf *..* :15045 27044 -1 0 607.167 -1 0.885426 0 0 1661.0 9730.0 Massbank:PR306337 Diosmetin-7-O-neohesperidoside M-H MASSBANK temp/spectra_filtered.mgf6409 -1 MASSBANK.mgf 59244.8 5 0 35.9715 643.138 0 CCMSLIB00005740596 6525 spectra_filtered.mgf *..* :1 14597 -1 0 179.035 -1 0.884363 0 0 365918.0 3070.0 Caffeic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf6525 -1 GNPS-LIBRARY.mgf 6.73301 5 0 0.00120544 179.034 0 CCMSLIB00012727487 6873 spectra_filtered.mgf *..* :21761 33760 -1 0 719.2 -1 0.883634 0 0 16170.3 12510.0 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid M+H MASSBANK temp/spectra_filtered.mgf6873 -1 MASSBANK.mgf 50.4949 7 0 0.0363159 719.164 0 CCMSLIB00005747312 5586 spectra_filtered.mgf *..* :100677 100677 -1 0 223.06 -1 0.882176 0 0 2705.0 11220.0 Isofraxidin [M+H]+ BMDMS-NP temp/spectra_filtered.mgf5586 -1 BMDMS-NP.mgf 134541.0 5 0 30.0108 193.049 0 CCMSLIB00006454977 6313 spectra_filtered.mgf *..* :45453 57452 -1 0 431.1 -1 0.880867 0 0 4204810.0 10860.0 Massbank:TY000187 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one M+H MASSBANK temp/spectra_filtered.mgf6313 -1 MASSBANK.mgf 83442.8 4 0 35.9722 467.072 0 CCMSLIB00005771004 9146 spectra_filtered.mgf *..* :719 871 -1 0 193.0 -1 0.880574 0 0 1870.0 1500.0 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 50eV M-H SUMNER temp/spectra_filtered.mgf9146 -1 SUMNER.mgf 62432.1 4 0 12.0494 205.049 0 CCMSLIB00004684106 4748 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.880142 0 0 192.79 6590.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf4748 -1 MONA.mgf 89189.3 7 0 32.0258 391.103 0 CCMSLIB00004692297 6612 spectra_filtered.mgf *..* :52660 64659 -1 0 607.167 -1 0.879618 0 0 185875.0 8540.0 Massbank:FIO01056 Diosmin M-H MASSBANK temp/spectra_filtered.mgf6612 -1 MASSBANK.mgf 181311.0 4 0 110.086 497.081 0 CCMSLIB00005778211 6750 spectra_filtered.mgf *..* :21789 33788 -1 0 359.077 -1 0.876685 0 0 1518.0 13630.0 Massbank:PR305753 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6750 -1 MASSBANK.mgf 1005610.0 6 0 361.092 720.169 0 CCMSLIB00005747340 5804 spectra_filtered.mgf *..* :611 763 -1 0 563.1 -1 0.876502 0 0 1284.0 13760.0 Apiin - 50eV M-H SUMNER temp/spectra_filtered.mgf5804 -1 SUMNER.mgf 88843.6 4 0 50.0278 613.128 0 CCMSLIB00004683998 11830 spectra_filtered.mgf *..* :34 140 -1 0 564.329 -1 0.876379 0 0 1354.0 6600.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV M-H SUMNER temp/spectra_filtered.mgf11830 -1 SUMNER.mgf 1.62233 4 0 0.000915527 564.33 0 CCMSLIB00004683375 6475 spectra_filtered.mgf *..* :2883 21346 -1 0 153.019 -1 0.875928 0 0 136.245 2940.0 PYROCATECHUIC ACID [M-H]- MONA temp/spectra_filtered.mgf6475 -1 MONA.mgf 170008.0 5 0 26.0144 179.033 0 CCMSLIB00004693946 9115 spectra_filtered.mgf *..* :16599 28598 -1 0 607.167 -1 0.875494 0 0 1539.0 38060.0 Massbank:PR306224 Diosmetin-7-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf9115 -1 MASSBANK.mgf 95529.9 4 0 58.0026 665.17 0 CCMSLIB00005742150 9927 spectra_filtered.mgf *..* :5171 5171 -1 0 299.056 -1 0.875485 0 0 79.353 5380.0 Diosmetin [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf9927 -1 MSNLIB-NEGATIVE.mgf 5.30641 11 0 0.00158691 299.054 0 CCMSLIB00012295538 9937 spectra_filtered.mgf *..* :23843 35842 -1 0 359.077 -1 0.874381 0 0 2378.0 46580.0 Massbank:PR305712 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf9937 -1 MASSBANK.mgf 128123.0 7 0 46.0062 313.071 0 CCMSLIB00005749394 2364 spectra_filtered.mgf *..* :11310 29773 -1 0 353.088 -1 0.87429 0 0 250.899 7880.0 CHLOROGENIC ACID [M-H]- MONA temp/spectra_filtered.mgf2364 -1 MONA.mgf 0.259292 8 0 9.15527e-05 353.088 0 CCMSLIB00004702373 7902 spectra_filtered.mgf *..* :1236 19699 -1 0 359.077 -1 0.873709 0 0 304.961 11230.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf7902 -1 MONA.mgf 44545.6 7 0 15.9953 343.082 0 CCMSLIB00004692299 6560 spectra_filtered.mgf *..* :21789 33788 -1 0 359.077 -1 0.8726 0 0 1518.0 10310.0 Massbank:PR305753 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6560 -1 MASSBANK.mgf 128124.0 4 0 46.0064 313.071 0 CCMSLIB00005747340 7571 spectra_filtered.mgf *..* :16771 16771 -1 0 493.114 -1 0.87123 0 0 291.672 6730.0 Salvianolic acid A [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7571 -1 MSNLIB-NEGATIVE.mgf 3.4657 11 0 0.00170898 493.112 0 CCMSLIB00012314870 1110 spectra_filtered.mgf *..* :6821 6819 -1 0 181.071 -1 0.869913 0 0 1657.0 2840.0 ReSpect:PT205430 D-Sorbitol|D-Sorbit|D-Glucitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbol|Cystosol|Glucarine|Diakarmon|Esasorb|Sorbol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol [M+H] RESPECT temp/spectra_filtered.mgf1110 -1 RESPECT.mgf 872919.0 5 0 158.06 339.131 0 CCMSLIB00000222187 5598 spectra_filtered.mgf *..* :3944 3944 -1 0 153.019 -1 0.867874 0 0 531361000.0 6030.0 2,4-Dihydroxybenzoic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf5598 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 104531.0 4 0 15.9953 137.024 0 CCMSLIB00006122072 843 spectra_filtered.mgf *..* :651 19114 -1 0 223.04 -1 0.866777 0 0 32.7146 28110.0 1-hydroxyanthraquinone [M-H]- MONA temp/spectra_filtered.mgf843 -1 MONA.mgf 2134980.0 4 0 476.185 699.225 0 CCMSLIB00004691714 1718 spectra_filtered.mgf *..* :5894 5894 -1 0 271.082 -1 0.866524 0 0 4589670.0 15290.0 Arbutin - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1718 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 162289.0 4 0 43.9937 315.076 0 CCMSLIB00006125505 5039 spectra_filtered.mgf *..* :14894 26893 -1 0 433.114 -1 0.866391 0 0 1623.0 17350.0 Massbank:PR306410 Naringenin-7-O-glucoside M-H MASSBANK temp/spectra_filtered.mgf5039 -1 MASSBANK.mgf 337224.0 9 0 146.057 579.171 0 CCMSLIB00005740445 2805 spectra_filtered.mgf *..* :6244 24707 -1 0 367.103 -1 0.866057 0 0 215.175 9450.0 3-O-Feruloylquinic acid [M-H]- MONA temp/spectra_filtered.mgf2805 -1 MONA.mgf 81751.9 7 0 30.0114 337.092 0 CCMSLIB00004697307 5186 spectra_filtered.mgf *..* :19489 37952 -1 0 785.251 -1 0.864921 0 0 214.08 28320.0 [4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf5186 -1 MONA.mgf 206373.0 14 0 162.055 623.196 0 CCMSLIB00004710552 4843 spectra_filtered.mgf *..* :21923 33922 -1 0 447.093 -1 0.864285 0 0 14879.0 5760.0 Massbank:PR309227 Flavonol base + 3O, O-Hex M-H MASSBANK temp/spectra_filtered.mgf4843 -1 MASSBANK.mgf 35774.4 8 0 15.9945 463.087 0 CCMSLIB00005747474 4201 spectra_filtered.mgf *..* :15800 27799 -1 0 609.146 -1 0.864137 0 0 878.0 10510.0 Massbank:PR306387 Quercetin-3-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf4201 -1 MASSBANK.mgf 3314.85 8 0 2.01923 607.127 0 CCMSLIB00005741351 10890 spectra_filtered.mgf *..* :15328 27327 -1 0 179.035 -1 0.863907 0 0 1130.0 15120.0 Massbank:PR307106 trans-Caffeic acid M-H MASSBANK temp/spectra_filtered.mgf10890 -1 MASSBANK.mgf 738139.0 4 0 132.153 311.188 0 CCMSLIB00005740879 11986 spectra_filtered.mgf *..* :6 6 -1 0 559.309 -1 0.863783 0 0 1535.0 20800.0 Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV M-H SUMNER temp/spectra_filtered.mgf11986 -1 SUMNER.mgf 4.47417 4 0 0.00250244 559.312 0 CCMSLIB00004683241 11607 spectra_filtered.mgf *..* :9682 28145 -1 0 455.135 -1 0.863781 0 0 136.394 34790.0 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf11607 -1 MONA.mgf 48666.4 6 0 22.1498 477.285 0 CCMSLIB00004700745 393 spectra_filtered.mgf *..* :1 296 -1 0 151.061 -1 0.863618 0 0 112584.0 18980.0 Arabitol [M-H] LDB_POSITIVE temp/spectra_filtered.mgf393 -1 LDB_POSITIVE.mgf 1562630.0 5 0 236.053 387.114 0 CCMSLIB00005719108 13396 spectra_filtered.mgf *..* :7312 5411 -1 0 271.23 -1 0.861727 0 0 3608.72 2060.0 16-hydroxypalmitic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf13396 -1 GNPS-LIBRARY.mgf 103360.0 4 0 28.0342 243.196 0 CCMSLIB00005467727 8197 spectra_filtered.mgf *..* :24 24 -1 0 269.046 -1 0.861487 0 0 159.0 3070.0 Apigenin 40eV M-H PHENOLICSDB temp/spectra_filtered.mgf8197 -1 PHENOLICSDB.mgf 2.60886 5 0 0.000701904 269.045 0 CCMSLIB00012079445 9000 spectra_filtered.mgf *..* :15100 27099 -1 0 179.035 -1 0.861382 0 0 1109.0 58520.0 Massbank:PR307117 trans-Caffeic acid M-H MASSBANK temp/spectra_filtered.mgf9000 -1 MASSBANK.mgf 1284850.0 4 0 230.033 409.068 0 CCMSLIB00005740651 5260 spectra_filtered.mgf *..* :13045 25044 -1 0 173.082 -1 0.861086 0 0 26248.0 3990.0 Massbank:RP015312 Suberic acid|Octanedioic acid M-H MASSBANK temp/spectra_filtered.mgf5260 -1 MASSBANK.mgf 80969.1 4 0 14.0143 187.096 0 CCMSLIB00005738596 199 spectra_filtered.mgf *..* :6111 772 -1 0 719.4 -1 0.859459 0 0 19357100.0 6930.0 Bafilomycin Cl M-H TUEBINGEN-NATURAL-PRODUCT-COLLECTION temp/spectra_filtered.mgf199 -1 TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 545592.0 4 0 392.499 326.901 0 CCMSLIB00011906742 4856 spectra_filtered.mgf *..* :170 322 -1 0 609.14 -1 0.858902 0 0 2382.0 25230.0 Luteolin-7,3'-di-O-glucoside - 40eV M-H SUMNER temp/spectra_filtered.mgf4856 -1 SUMNER.mgf 471240.0 7 0 287.051 896.191 0 CCMSLIB00004683557 1108 spectra_filtered.mgf *..* :21560 33559 -1 0 292.139 -1 0.858034 0 0 997.0 11160.0 Massbank:PR309145 N-Fructosyl isoleucine M-H MASSBANK temp/spectra_filtered.mgf1108 -1 MASSBANK.mgf 7014.14 4 0 2.0491 290.09 0 CCMSLIB00005747111 12169 spectra_filtered.mgf *..* :189 18652 -1 0 469.332 -1 0.856334 0 0 57.995 4210.0 18b-glycyrrhetinic acid [M-H]- MONA temp/spectra_filtered.mgf12169 -1 MONA.mgf 110865.0 5 0 52.0323 417.3 0 CCMSLIB00004691252 12230 spectra_filtered.mgf *..* :7879 7879 -1 0 718.539 -1 0.855866 0 0 32428.2 100850.0 PE(16:0/18:0); [M-H]- C39H77N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf12230 -1 PNNL-LIPIDS-NEGATIVE.mgf 248016.0 6 0 178.209 540.33 0 CCMSLIB00010072705 8956 spectra_filtered.mgf *..* :23597 35596 -1 0 431.098 -1 0.855821 0 0 1193.0 6600.0 Massbank:PR306057 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one M-H MASSBANK temp/spectra_filtered.mgf8956 -1 MASSBANK.mgf 97448.2 5 0 42.0097 473.108 0 CCMSLIB00005749148 7457 spectra_filtered.mgf *..* :17450 17450 -1 0 537.104 -1 0.854143 0 0 293.241 12980.0 Lithospermic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7457 -1 MSNLIB-NEGATIVE.mgf 81902.4 9 0 43.9901 493.114 0 CCMSLIB00012316145 10738 spectra_filtered.mgf *..* :21666 33665 -1 0 349.119 -1 0.851793 0 0 18076.0 3060.0 Massbank:PR311099 Camptothecin M+H MASSBANK temp/spectra_filtered.mgf10738 -1 MASSBANK.mgf 177399.0 4 0 61.9334 287.186 0 CCMSLIB00005747217 4965 spectra_filtered.mgf *..* :2531 20994 -1 0 165.056 -1 0.850767 0 0 120.348 6990.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one [M-H]- MONA temp/spectra_filtered.mgf4965 -1 MONA.mgf 1236480.0 4 0 204.088 369.144 0 CCMSLIB00004693594 11910 spectra_filtered.mgf *..* :1486 4967 -1 0 690.507 -1 0.850021 0 0 116627.0 24770.0 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf11910 -1 GNPS-LIBRARY.mgf 110319.0 8 0 76.1763 614.331 0 CCMSLIB00005436443 9510 spectra_filtered.mgf *..* :1338 7346 -1 0 327.218 -1 0.849722 0 0 17974500.0 49010.0 (10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf9510 -1 GNPS-LIBRARY.mgf 6168.93 10 0 2.01859 325.199 0 CCMSLIB00005724857 3909 spectra_filtered.mgf *..* :2394 47653 -1 0 755.24 -1 0.848608 0 0 31.5469 7410.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf3909 -1 MONA.mgf 39736.3 11 0 30.0104 785.25 0 CCMSLIB00004720253 2214 spectra_filtered.mgf *..* :8147 7212 -1 0 515.12 -1 0.846452 0 0 128.345 125780.0 19870-46-3 [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf2214 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 368943.0 5 0 190.05 705.17 0 CCMSLIB00012264954 5458 spectra_filtered.mgf *..* :610 762 -1 0 563.14 -1 0.846322 0 0 1239.0 26270.0 Apiin - 40eV M-H SUMNER temp/spectra_filtered.mgf5458 -1 SUMNER.mgf 88768.5 4 0 49.9891 613.129 0 CCMSLIB00004683997 11800 spectra_filtered.mgf *..* :20682 39145 -1 0 294.146 -1 0.843987 0 0 364.131 1430.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf11800 -1 MONA.mgf 10030.0 6 0 2.95029 291.196 0 CCMSLIB00004711745 846 spectra_filtered.mgf *..* :6342 6342 -1 0 179.056 -1 0.841939 0 0 7695590.0 2800.0 L-(?)-Sorbose - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf846 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 89332.4 4 0 15.9955 195.051 0 CCMSLIB00006125953 7377 spectra_filtered.mgf *..* :74090 74088 -1 0 315.072 -1 0.841094 0 0 266.541 4370.0 gentisic acid 5-O-beta-glucoside [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7377 -1 MSNLIB-NEGATIVE.mgf 260385.0 4 0 82.04 397.112 0 CCMSLIB00012428590 12491 spectra_filtered.mgf *..* :8317 8317 -1 0 770.57 -1 0.840935 0 0 7084.13 60210.0 PE(18:1/20:1); [M-H]- C43H81N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf12491 -1 PNNL-LIPIDS-NEGATIVE.mgf 265030.0 5 0 204.224 566.346 0 CCMSLIB00010073524 5027 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.839789 0 0 192.79 6110.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf5027 -1 MONA.mgf 89188.9 6 0 32.0257 391.103 0 CCMSLIB00004692297 8589 spectra_filtered.mgf *..* :62082 62080 -1 0 715.13 -1 0.839485 0 0 271.566 728820.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8589 -1 MSNLIB-NEGATIVE.mgf 316093.0 11 0 226.048 489.082 0 CCMSLIB00012404713 6693 spectra_filtered.mgf *..* :689 623 -1 0 741.144 -1 0.838888 0 0 16172800.0 15640.0 ROSMARINIC_ACID 2M-2H+Na LEAFBOT temp/spectra_filtered.mgf6693 -1 LEAFBOT.mgf 4.85881 8 0 0.00360107 741.148 0 CCMSLIB00011431680 4705 spectra_filtered.mgf *..* :15134 33597 -1 0 593.151 -1 0.837487 0 0 201.672 5620.0 nicotiflorin [M-H]- MONA temp/spectra_filtered.mgf4705 -1 MONA.mgf 140039.0 6 0 83.064 510.087 0 CCMSLIB00004706197 11879 spectra_filtered.mgf *..* :1112 19575 -1 0 205.087 -1 0.836939 0 0 237.059 3160.0 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid [M-H]- MONA temp/spectra_filtered.mgf11879 -1 MONA.mgf 331874.0 5 0 68.0631 273.15 0 CCMSLIB00004692175 10639 spectra_filtered.mgf *..* :9653 28116 -1 0 537.083 -1 0.836609 0 0 280.687 19260.0 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one [M-H]- MONA temp/spectra_filtered.mgf10639 -1 MONA.mgf 0.795494 14 0 0.000427246 537.083 0 CCMSLIB00004700716 3298 spectra_filtered.mgf *..* :6246 24709 -1 0 367.103 -1 0.836016 0 0 386.935 6280.0 3-O-Feruloylquinic acid [M-H]- MONA temp/spectra_filtered.mgf3298 -1 MONA.mgf 2.1614 7 0 0.000793457 367.104 0 CCMSLIB00004697309 4099 spectra_filtered.mgf *..* :1117 46145 -1 0 755.204 -1 0.835646 0 0 209.374 15820.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4099 -1 MONA.mgf 137840.0 7 0 104.097 651.107 0 CCMSLIB00004718745 12229 spectra_filtered.mgf *..* :7879 7879 -1 0 718.539 -1 0.835253 0 0 32428.2 29780.0 PE(16:0/18:0); [M-H]- C39H77N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf12229 -1 PNNL-LIPIDS-NEGATIVE.mgf 261973.0 6 0 188.237 530.302 0 CCMSLIB00010072705 6783 spectra_filtered.mgf *..* :27562 27561 -1 0 639.193 -1 0.833907 0 0 232.182 4210.0 Plantamajoside [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6783 -1 MSNLIB-NEGATIVE.mgf 510213.0 4 0 326.124 313.069 0 CCMSLIB00012335949 4658 spectra_filtered.mgf *..* :169 321 -1 0 609.151 -1 0.833795 0 0 928.0 29440.0 Luteolin-7,3'-di-O-glucoside - 20eV M-H SUMNER temp/spectra_filtered.mgf4658 -1 SUMNER.mgf 471216.0 4 0 287.042 896.193 0 CCMSLIB00004683556 10283 spectra_filtered.mgf *..* :9653 28116 -1 0 537.083 -1 0.833474 0 0 280.687 10880.0 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one [M-H]- MONA temp/spectra_filtered.mgf10283 -1 MONA.mgf 4.09111 15 0 0.00219727 537.081 0 CCMSLIB00004700716 3370 spectra_filtered.mgf *..* :2631 53755 -1 0 167.035 -1 0.833176 0 0 194.9 9680.0 HOMOGENTISIC ACID M-H MONA temp/spectra_filtered.mgf3370 -1 MONA.mgf 83914.8 4 0 14.0167 153.018 0 CCMSLIB00006682784 11794 spectra_filtered.mgf *..* :16957 35420 -1 0 261.134 -1 0.832651 0 0 206.04 6210.0 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid [M-H]- MONA temp/spectra_filtered.mgf11794 -1 MONA.mgf 475327.0 6 0 124.124 385.258 0 CCMSLIB00004708020 5040 spectra_filtered.mgf *..* :14894 26893 -1 0 433.114 -1 0.832044 0 0 1623.0 29430.0 Massbank:PR306410 Naringenin-7-O-glucoside M-H MASSBANK temp/spectra_filtered.mgf5040 -1 MASSBANK.mgf 420290.0 9 0 182.033 615.147 0 CCMSLIB00005740445 4948 spectra_filtered.mgf *..* :2531 20994 -1 0 165.056 -1 0.831982 0 0 120.348 23870.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one [M-H]- MONA temp/spectra_filtered.mgf4948 -1 MONA.mgf 1236480.0 4 0 204.089 369.145 0 CCMSLIB00004693594 8163 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.829846 0 0 125785.0 48460.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8163 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 2809.85 13 0 2.01508 715.131 0 CCMSLIB00000845756 4293 spectra_filtered.mgf *..* :16942 35405 -1 0 755.183 -1 0.82824 0 0 155.084 17040.0 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf4293 -1 MONA.mgf 116632.0 12 0 88.0783 667.105 0 CCMSLIB00004708005 4566 spectra_filtered.mgf *..* :20187 32186 -1 0 755.183 -1 0.827372 0 0 849.0 7440.0 Massbank:PR307512 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside M-H MASSBANK temp/spectra_filtered.mgf4566 -1 MASSBANK.mgf 116634.0 6 0 88.0803 667.103 0 CCMSLIB00005745738 11958 spectra_filtered.mgf *..* :320 1249 -1 0 925.298 -1 0.825882 0 0 349392.0 17030.0 NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf11958 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 531763.0 6 0 492.039 433.259 0 CCMSLIB00000849608 4339 spectra_filtered.mgf *..* :49266 61265 -1 0 330.137 -1 0.821336 0 0 33824.0 6750.0 Massbank:AU206001 Metolachlor-ESA|Metolachlor esa|2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid M+H MASSBANK temp/spectra_filtered.mgf4339 -1 MASSBANK.mgf 196889.0 4 0 65.0003 395.137 0 CCMSLIB00005774817 8720 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.820812 0 0 252.224 29550.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8720 -1 MSNLIB-NEGATIVE.mgf 316095.0 8 0 226.049 489.081 0 CCMSLIB00012404715 4950 spectra_filtered.mgf *..* :238 390 -1 0 447.093 -1 0.82069 0 0 2646.0 5460.0 NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one M-H2O-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf4950 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 35774.7 6 0 15.9946 463.088 0 CCMSLIB00000845919 2252 spectra_filtered.mgf *..* :229 464 -1 0 729.165 -1 0.819822 0 0 2418790.0 52490.0 Chlorogenic acid 2M-2H+Na LEAFBOT temp/spectra_filtered.mgf2252 -1 LEAFBOT.mgf 2759.94 7 0 2.01245 727.153 0 CCMSLIB00011428721 10961 spectra_filtered.mgf *..* :20681 39144 -1 0 294.146 -1 0.819611 0 0 309.944 13320.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf10961 -1 MONA.mgf 227839.0 7 0 67.0178 361.164 0 CCMSLIB00004711744 13361 spectra_filtered.mgf *..* :1486 4967 -1 0 690.507 -1 0.819535 0 0 116627.0 4240.0 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf13361 -1 GNPS-LIBRARY.mgf 221836.0 4 0 153.179 537.328 0 CCMSLIB00005436443 8820 spectra_filtered.mgf *..* :372 524 -1 0 299.09 -1 0.817601 0 0 1492.0 8460.0 Farrerol - 40eV M-H SUMNER temp/spectra_filtered.mgf8820 -1 SUMNER.mgf 641971.0 4 0 192.007 491.097 0 CCMSLIB00004683759 1746 spectra_filtered.mgf *..* :1 14557 -1 0 353.088 -1 0.817519 0 0 999852.0 8780.0 Chlorogenic Acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf1746 -1 GNPS-LIBRARY.mgf 4.2351 6 0 0.00149536 353.09 0 CCMSLIB00012725751 917 spectra_filtered.mgf *..* :4054 4054 -1 0 135.03 -1 0.817413 0 0 32701000.0 1630.0 L-threonic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf917 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 14922.6 4 0 2.015 133.015 0 CCMSLIB00006122308 1245 spectra_filtered.mgf *..* :1 1138 -1 0 419.182 -1 0.816849 0 0 136979.0 15540.0 Nimodipine M+H GNPS-SELLECKCHEM-FDA-PART1 temp/spectra_filtered.mgf1245 -1 GNPS-SELLECKCHEM-FDA-PART1.mgf 577566.0 4 0 242.105 177.077 0 CCMSLIB00000005359 10817 spectra_filtered.mgf *..* :1067 19530 -1 0 351.064 -1 0.816152 0 0 269.893 11470.0 Griseofulvin [M-H]- MONA temp/spectra_filtered.mgf10817 -1 MONA.mgf 917946.0 8 0 322.258 673.322 0 CCMSLIB00004692130 6894 spectra_filtered.mgf *..* :689 623 -1 0 741.144 -1 0.815775 0 0 16172800.0 9550.0 ROSMARINIC_ACID 2M-2H+Na LEAFBOT temp/spectra_filtered.mgf6894 -1 LEAFBOT.mgf 6.4235 8 0 0.00476074 741.139 0 CCMSLIB00011431680 5514 spectra_filtered.mgf *..* :1117 46145 -1 0 755.204 -1 0.815033 0 0 209.374 8840.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf5514 -1 MONA.mgf 137831.0 9 0 104.091 651.113 0 CCMSLIB00004718745 4557 spectra_filtered.mgf *..* :16942 35405 -1 0 755.183 -1 0.815007 0 0 155.084 14990.0 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf4557 -1 MONA.mgf 103361.0 7 0 78.0561 677.127 0 CCMSLIB00004708005 2253 spectra_filtered.mgf *..* :5284 23747 -1 0 517.134 -1 0.814628 0 0 123.396 39790.0 phellopterin [M+H]+ MONA temp/spectra_filtered.mgf2253 -1 MONA.mgf 410017.0 4 0 212.034 729.168 0 CCMSLIB00004696347 1483 spectra_filtered.mgf *..* :21953 33952 -1 0 337.092 -1 0.814402 0 0 891.0 25200.0 Massbank:PR309013 Coumaroyl quinic acid (isomer of 758, 760) M-H MASSBANK temp/spectra_filtered.mgf1483 -1 MASSBANK.mgf 421340.0 7 0 142.03 479.122 0 CCMSLIB00005747504 7718 spectra_filtered.mgf *..* :17122 35585 -1 0 593.151 -1 0.813373 0 0 121.492 25120.0 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one [M-H]- MONA temp/spectra_filtered.mgf7718 -1 MONA.mgf 50598.4 4 0 30.0125 623.164 0 CCMSLIB00004708185 13386 spectra_filtered.mgf *..* :189 18652 -1 0 469.332 -1 0.812747 0 0 57.995 6920.0 18b-glycyrrhetinic acid [M-H]- MONA temp/spectra_filtered.mgf13386 -1 MONA.mgf 311315.0 4 0 146.11 323.222 0 CCMSLIB00004691252 4366 spectra_filtered.mgf *..* :1043 2840 -1 0 979.624 -1 0.810845 0 0 3602.0 7490.0 Ala-aMCA 2M-2H+Na BILELIB19 temp/spectra_filtered.mgf4366 -1 BILELIB19.mgf 325112.0 5 0 318.488 661.136 0 CCMSLIB00006583289 5360 spectra_filtered.mgf *..* :12487 30950 -1 0 445.078 -1 0.809646 0 0 155.173 7560.0 baicalin [M-H]- MONA temp/spectra_filtered.mgf5360 -1 MONA.mgf 426964.0 4 0 190.032 635.11 0 CCMSLIB00004703550 9187 spectra_filtered.mgf *..* :79592 79592 -1 0 362.097 -1 0.809268 0 0 105.112 49350.0 537045-51-5 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf9187 -1 MSNLIB-POSITIVE.mgf 2897.8 4 0 1.04929 361.048 0 CCMSLIB00012427369 8808 spectra_filtered.mgf *..* :2241 47465 -1 0 447.093 -1 0.807656 0 0 111.408 9920.0 luteolin 4'-O-glucoside [M-H]- MONA temp/spectra_filtered.mgf8808 -1 MONA.mgf 210396.0 4 0 94.0665 353.026 0 CCMSLIB00004720065 4643 spectra_filtered.mgf *..* :171 323 -1 0 609.14 -1 0.807209 0 0 1788.0 5500.0 Luteolin-7,3'-di-O-glucoside - 60eV M-H SUMNER temp/spectra_filtered.mgf4643 -1 SUMNER.mgf 162611.0 5 0 99.0529 510.087 0 CCMSLIB00004683558 1622 spectra_filtered.mgf *..* :67223 67223 -1 0 398.171 -1 0.806693 0 0 126.868 8770.0 2-butoxy-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf1622 -1 MSNLIB-POSITIVE.mgf 130650.0 4 0 52.0212 450.192 0 CCMSLIB00012402470 5288 spectra_filtered.mgf *..* :1 14544 -1 0 515.139 -1 0.806271 0 0 158026.0 6070.0 3,5-Di-caffeoylquinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf5288 -1 GNPS-LIBRARY.mgf 11629.9 6 0 5.99103 521.13 0 CCMSLIB00012725738 6911 spectra_filtered.mgf *..* :61824 61822 -1 0 353.088 -1 0.805911 0 0 257.329 5270.0 Neochlorogenic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6911 -1 MSNLIB-NEGATIVE.mgf 79217.3 7 0 27.9707 381.059 0 CCMSLIB00012404209 11445 spectra_filtered.mgf *..* :13602 25601 -1 0 566.345 -1 0.804768 0 0 1214.0 34650.0 Massbank:PR309160 LPC 18:1 M+HCOO MASSBANK temp/spectra_filtered.mgf11445 -1 MASSBANK.mgf 7117.69 8 0 4.03107 562.314 0 CCMSLIB00005739153 4096 spectra_filtered.mgf *..* :12025 30488 -1 0 755.24 -1 0.804671 0 0 182.593 7150.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf4096 -1 MONA.mgf 0.888971 10 0 0.000671387 755.239 0 CCMSLIB00004703088 1671 spectra_filtered.mgf *..* :7310 7310 -1 0 341.109 -1 0.804384 0 0 309.206 4680.0 trehalose [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf1671 -1 MSNLIB-NEGATIVE.mgf 52687.9 5 0 17.9723 323.137 0 CCMSLIB00012298702 12642 spectra_filtered.mgf *..* :17923 29922 -1 0 531.281 -1 0.80278 0 0 2951.0 12010.0 Massbank:PR309156 MGMG 16:3 M+HCOO MASSBANK temp/spectra_filtered.mgf12642 -1 MASSBANK.mgf 56554.9 6 0 30.0466 561.328 0 CCMSLIB00005743474 7196 spectra_filtered.mgf *..* :398 5601 -1 0 449.112 -1 0.802146 0 0 94567.0 12210.0 Spectral Match to Cyanidin 3-galactoside cation from NIST14 M+ GNPS-NIST14-MATCHES temp/spectra_filtered.mgf7196 -1 GNPS-NIST14-MATCHES.mgf 31120.5 8 0 13.9766 463.089 0 CCMSLIB00003140088 4690 spectra_filtered.mgf *..* :2531 20994 -1 0 165.056 -1 0.801559 0 0 120.348 6920.0 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one [M-H]- MONA temp/spectra_filtered.mgf4690 -1 MONA.mgf 1236480.0 4 0 204.088 369.144 0 CCMSLIB00004693594 4022 spectra_filtered.mgf *..* :2319 47558 -1 0 593.151 -1 0.799856 0 0 61.3907 17080.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4022 -1 MONA.mgf 97712.7 4 0 57.9584 651.109 0 CCMSLIB00004720158 7267 spectra_filtered.mgf *..* :74092 74090 -1 0 315.072 -1 0.799806 0 0 136.609 4890.0 gentisic acid 5-O-beta-glucoside [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7267 -1 MSNLIB-NEGATIVE.mgf 260386.0 4 0 82.0403 397.112 0 CCMSLIB00012428594 12011 spectra_filtered.mgf *..* :23924 35923 -1 0 564.33 -1 0.79937 0 0 561.0 12080.0 Massbank:PR309158 LPC 18:2 M+HCOO MASSBANK temp/spectra_filtered.mgf12011 -1 MASSBANK.mgf 42525.2 5 0 23.9982 540.332 0 CCMSLIB00005749475 6938 spectra_filtered.mgf *..* :29132 29131 -1 0 283.098 -1 0.799231 0 0 213.252 6450.0 Caffeic acid phenethyl ester [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6938 -1 MSNLIB-NEGATIVE.mgf 473113.0 4 0 133.937 417.035 0 CCMSLIB00012339085 13116 spectra_filtered.mgf *..* :1317 50558 -1 0 187.072 -1 0.79918 0 0 330.7 5010.0 ALPHA-N-ACETYL-GLUTAMINE M-H MONA temp/spectra_filtered.mgf13116 -1 MONA.mgf 1177190.0 7 0 220.219 407.291 0 CCMSLIB00006679587 8636 spectra_filtered.mgf *..* :62186 62184 -1 0 551.12 -1 0.798516 0 0 249.889 33460.0 Monomethyl lithospermate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8636 -1 MSNLIB-NEGATIVE.mgf 3729.09 13 0 2.05518 549.065 0 CCMSLIB00012404918 7192 spectra_filtered.mgf *..* :52470 64469 -1 0 593.151 -1 0.797728 0 0 7874.0 9430.0 Massbank:FIO00178 Kaempferol-7-neohesperidoside M-H MASSBANK temp/spectra_filtered.mgf7192 -1 MASSBANK.mgf 99483.5 5 0 59.0087 652.16 0 CCMSLIB00005778021 3161 spectra_filtered.mgf *..* :19822 19822 -1 0 265.087 -1 0.797313 0 0 136.933 3920.0 2-HBA [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3161 -1 MSNLIB-NEGATIVE.mgf 173485.0 4 0 45.9885 311.076 0 CCMSLIB00012320746 8766 spectra_filtered.mgf *..* :62183 62181 -1 0 551.12 -1 0.796753 0 0 338.183 137500.0 Monomethyl lithospermate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8766 -1 MSNLIB-NEGATIVE.mgf 3701.4 12 0 2.03992 549.08 0 CCMSLIB00012404912 8506 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.79637 0 0 125785.0 75930.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8506 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 69730.2 12 0 50.0067 667.139 0 CCMSLIB00000845756 8639 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.796292 0 0 252.224 38620.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8639 -1 MSNLIB-NEGATIVE.mgf 313276.0 7 0 224.033 491.097 0 CCMSLIB00012404715 961 spectra_filtered.mgf *..* :4565 312 -1 0 347.039 -1 0.794597 0 0 2113660.0 35480.0 INOSINE 5'-PHOSPHATE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf961 -1 GNPS-EMBL-MCF.mgf 265249.0 4 0 92.0519 439.091 0 CCMSLIB00000578095 3045 spectra_filtered.mgf *..* :63324 63322 -1 0 337.238 -1 0.79316 0 0 288.443 33060.0 MEGxp0_001651 (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3045 -1 MSNLIB-NEGATIVE.mgf 6412.4 7 0 2.16251 335.076 0 CCMSLIB00012407177 9338 spectra_filtered.mgf *..* :78282 78282 -1 0 355.075 -1 0.792785 0 0 154.522 61290.0 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf9338 -1 MSNLIB-POSITIVE.mgf 422455.0 6 0 150.003 505.078 0 CCMSLIB00012424736 11479 spectra_filtered.mgf *..* :20680 39143 -1 0 294.146 -1 0.792651 0 0 305.571 5270.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf11479 -1 MONA.mgf 3300.38 6 0 0.970795 293.175 0 CCMSLIB00004711743 9139 spectra_filtered.mgf *..* :14677 33140 -1 0 697.344 -1 0.792309 0 0 644.437 5020.0 3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [M-H]- MONA temp/spectra_filtered.mgf9139 -1 MONA.mgf 83237.4 11 0 58.0451 639.299 0 CCMSLIB00004705740 2923 spectra_filtered.mgf *..* :3649 5499 -1 0 515.12 -1 0.792202 0 0 133941.0 8490.0 1,3-Dicaffeoylquinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf2923 -1 GNPS-LIBRARY.mgf 291078.0 7 0 149.94 365.18 0 CCMSLIB00005467911 8802 spectra_filtered.mgf *..* :474 1177 -1 0 943.491 -1 0.788551 0 0 249380.0 72920.0 NCGC00385737-01_C46H74O17_ M+FA-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8802 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 481615.0 4 0 454.399 489.092 0 CCMSLIB00000849389 13419 spectra_filtered.mgf *..* :1266 2664 -1 0 504.369 -1 0.787185 0 0 150261.0 6400.0 Ile/Leu-CDCA M-H BILELIB19 temp/spectra_filtered.mgf13419 -1 BILELIB19.mgf 186456.0 6 0 94.0428 410.326 0 CCMSLIB00006583113 9677 spectra_filtered.mgf *..* :100742 100742 -1 0 223.06 -1 0.786647 0 0 2334.0 11690.0 Isofraxidin [M+H]+ BMDMS-NP temp/spectra_filtered.mgf9677 -1 BMDMS-NP.mgf 403522.0 5 0 90.0097 313.07 0 CCMSLIB00006455042 7824 spectra_filtered.mgf *..* :15693 27692 -1 0 359.077 -1 0.785961 0 0 2570.0 10020.0 Massbank:PR305705 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf7824 -1 MASSBANK.mgf 44545.6 6 0 15.9953 343.082 0 CCMSLIB00005741244 10060 spectra_filtered.mgf *..* :52245 64244 -1 0 515.12 -1 0.785741 0 0 1055910.0 10760.0 Massbank:FIO00937 Cynarine M-H MASSBANK temp/spectra_filtered.mgf10060 -1 MASSBANK.mgf 295487.0 6 0 152.211 667.331 0 CCMSLIB00005777796 5075 spectra_filtered.mgf *..* :2393 47652 -1 0 755.24 -1 0.785719 0 0 9.53971 15730.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf5075 -1 MONA.mgf 2.34365 9 0 0.00177002 755.238 0 CCMSLIB00004720252 10574 spectra_filtered.mgf *..* :934 9229 -1 0 186.016 -1 0.784954 0 0 328120.0 8860.0 O-PHOSPHO-L-SERINE - 60.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf10574 -1 GNPS-LIBRARY.mgf 1054960.0 4 0 196.239 382.255 0 CCMSLIB00005884087 12820 spectra_filtered.mgf *..* :9682 28145 -1 0 455.135 -1 0.782917 0 0 136.394 11050.0 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf12820 -1 MONA.mgf 88145.5 4 0 40.1181 495.253 0 CCMSLIB00004700745 10708 spectra_filtered.mgf *..* :40646 40646 -1 0 347.222 -1 0.782426 0 0 435.2 1880.0 CORTICOSTERONE [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf10708 -1 MSNLIB-POSITIVE.mgf 115294.0 6 0 40.0326 307.189 0 CCMSLIB00012349118 5019 spectra_filtered.mgf *..* :18999 30998 -1 0 239.071 -1 0.782169 0 0 1371.0 17600.0 Massbank:PR306967 2'-Hydroxyflavanone M-H MASSBANK temp/spectra_filtered.mgf5019 -1 MASSBANK.mgf 627664.0 4 0 150.056 389.127 0 CCMSLIB00005744550 10969 spectra_filtered.mgf *..* :20680 39143 -1 0 294.146 -1 0.782097 0 0 305.571 9310.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf10969 -1 MONA.mgf 1071560.0 5 0 315.195 609.341 0 CCMSLIB00004711743 8583 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.781451 0 0 252.224 28970.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8583 -1 MSNLIB-NEGATIVE.mgf 313276.0 8 0 224.033 491.097 0 CCMSLIB00012404715 10889 spectra_filtered.mgf *..* :34 140 -1 0 564.329 -1 0.781175 0 0 1354.0 15670.0 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV M-H SUMNER temp/spectra_filtered.mgf10889 -1 SUMNER.mgf 31917.9 4 0 18.0122 582.341 0 CCMSLIB00004683375 5622 spectra_filtered.mgf *..* :174939 174939 -1 0 609.182 -1 0.780038 0 0 1476.0 9820.0 Kakkalide [M+H]+ BMDMS-NP temp/spectra_filtered.mgf5622 -1 BMDMS-NP.mgf 108272.0 4 0 65.9572 675.139 0 CCMSLIB00006529239 9189 spectra_filtered.mgf *..* :1 14577 -1 0 193.05 -1 0.779841 0 0 314084.0 23830.0 Trans ferulic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf9189 -1 GNPS-LIBRARY.mgf 683869.0 4 0 132.021 325.071 0 CCMSLIB00012725771 2995 spectra_filtered.mgf *..* :5484 23947 -1 0 367.103 -1 0.779524 0 0 242.312 5970.0 methyl chlorogenate [M-H]- MONA temp/spectra_filtered.mgf2995 -1 MONA.mgf 0.831308 6 0 0.000305176 367.103 0 CCMSLIB00004696547 6785 spectra_filtered.mgf *..* :61723 61721 -1 0 269.046 -1 0.779423 0 0 157.748 3880.0 7,3',4'-Trihydroxyflavone [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6785 -1 MSNLIB-NEGATIVE.mgf 401502.0 4 0 108.023 161.023 0 CCMSLIB00012404010 11733 spectra_filtered.mgf *..* :1719 559 -1 0 172.097 -1 0.778384 0 0 99491800.0 2590.0 N-ACETYL-L-LEUCINE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf11733 -1 GNPS-EMBL-MCF.mgf 570083.0 4 0 98.1095 270.207 0 CCMSLIB00000578349 1856 spectra_filtered.mgf *..* :21560 33559 -1 0 292.139 -1 0.778282 0 0 997.0 9810.0 Massbank:PR309145 N-Fructosyl isoleucine M-H MASSBANK temp/spectra_filtered.mgf1856 -1 MASSBANK.mgf 7015.91 4 0 2.04962 290.089 0 CCMSLIB00005747111 11664 spectra_filtered.mgf *..* :20682 39145 -1 0 294.146 -1 0.777728 0 0 364.131 2780.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf11664 -1 MONA.mgf 10030.4 7 0 2.95041 291.196 0 CCMSLIB00004711745 8643 spectra_filtered.mgf *..* :62185 62183 -1 0 551.12 -1 0.77697 0 0 215.289 6140.0 Monomethyl lithospermate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8643 -1 MSNLIB-NEGATIVE.mgf 0.664485 10 0 0.000366211 551.12 0 CCMSLIB00012404916 7472 spectra_filtered.mgf *..* :67054 67052 -1 0 537.104 -1 0.775002 0 0 284.806 6930.0 Lithospermic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7472 -1 MSNLIB-NEGATIVE.mgf 3749.36 10 0 2.01379 535.09 0 CCMSLIB00012414593 6476 spectra_filtered.mgf *..* :19522 31521 -1 0 359.077 -1 0.774848 0 0 2736.0 3440.0 Massbank:PR305739 Rosmarinic acid M-H MASSBANK temp/spectra_filtered.mgf6476 -1 MASSBANK.mgf 128126.0 6 0 46.007 313.07 0 CCMSLIB00005745073 6669 spectra_filtered.mgf *..* :59925 59923 -1 0 505.112 -1 0.774462 0 0 188.468 5840.0 NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf6669 -1 MSNLIB-NEGATIVE.mgf 174378.0 4 0 88.0802 417.032 0 CCMSLIB00012400434 3624 spectra_filtered.mgf *..* :407 45338 -1 0 595.167 -1 0.773785 0 0 187.961 5570.0 neoeriocitrin [M-H]- MONA temp/spectra_filtered.mgf3624 -1 MONA.mgf 0.307654 7 0 0.000183105 595.167 0 CCMSLIB00004717938 5618 spectra_filtered.mgf *..* :15535 33998 -1 0 461.109 -1 0.771009 0 0 164.419 8690.0 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf5618 -1 MONA.mgf 386126.0 5 0 178.046 639.155 0 CCMSLIB00004706598 3225 spectra_filtered.mgf *..* :23127 23573 -1 0 151.04 -1 0.770957 0 0 747717.0 750.0 3-Hydroxyphenylacetic acid CollisionEnergy:205060 M-H BERKELEY-LAB temp/spectra_filtered.mgf3225 -1 BERKELEY-LAB.mgf 244937.0 4 0 36.9952 188.035 0 CCMSLIB00010125563 5874 spectra_filtered.mgf *..* :186 338 -1 0 607.2 -1 0.769424 0 0 1429.0 35890.0 Diosmin - 40eV M-H SUMNER temp/spectra_filtered.mgf5874 -1 SUMNER.mgf 111904.0 4 0 67.9481 675.148 0 CCMSLIB00004683573 4439 spectra_filtered.mgf *..* :2318 47557 -1 0 593.151 -1 0.768576 0 0 17.5698 6140.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4439 -1 MONA.mgf 114612.0 5 0 67.9821 661.133 0 CCMSLIB00004720157 323 spectra_filtered.mgf *..* :6113 6113 -1 0 401.13 -1 0.767889 0 0 63937300.0 7930.0 alpha,alpha-Trehalose - 40.0 eV Unknown BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf323 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 174366.0 7 0 69.9434 471.073 0 CCMSLIB00006125724 11621 spectra_filtered.mgf *..* :22780 41243 -1 0 315.197 -1 0.76777 0 0 45.8558 2610.0 7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid [M-H]- MONA temp/spectra_filtered.mgf11621 -1 MONA.mgf 63470.1 4 0 20.0056 295.191 0 CCMSLIB00004713843 5494 spectra_filtered.mgf *..* :15157 27156 -1 0 739.209 -1 0.767139 0 0 1861.0 4610.0 Massbank:PR305598 Kaempferol-3-O-robinoside-7-O-rhamnoside M-H MASSBANK temp/spectra_filtered.mgf5494 -1 MASSBANK.mgf 105618.0 5 0 78.0736 661.135 0 CCMSLIB00005740708 8469 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.766719 0 0 125785.0 18040.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8469 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 5.19161 10 0 0.00372314 717.142 0 CCMSLIB00000845756 4410 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.766124 0 0 252.224 8160.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf4410 -1 MSNLIB-NEGATIVE.mgf 313277.0 7 0 224.034 491.096 0 CCMSLIB00012404715 12997 spectra_filtered.mgf *..* :1038 2941 -1 0 979.624 -1 0.766089 0 0 9239.0 20550.0 Ala-aMCA 2M-2H+Na BILELIB19 temp/spectra_filtered.mgf12997 -1 BILELIB19.mgf 422890.0 4 0 414.273 565.351 0 CCMSLIB00006583390 8721 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.765575 0 0 252.224 13890.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8721 -1 MSNLIB-NEGATIVE.mgf 313277.0 6 0 224.034 491.096 0 CCMSLIB00012404715 7411 spectra_filtered.mgf *..* :3379 3379 -1 0 515.12 -1 0.764895 0 0 245.588 10200.0 77307-50-7 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7411 -1 MSNLIB-NEGATIVE.mgf 50512.5 6 0 26.02 489.1 0 CCMSLIB00012293059 7615 spectra_filtered.mgf *..* :74090 74088 -1 0 315.072 -1 0.764867 0 0 266.541 5240.0 gentisic acid 5-O-beta-glucoside [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7615 -1 MSNLIB-NEGATIVE.mgf 260390.0 4 0 82.0417 397.114 0 CCMSLIB00012428590 2138 spectra_filtered.mgf *..* :2948 2948 -1 0 353.088 -1 0.764007 0 0 265.873 6900.0 Neochlorogenic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf2138 -1 MSNLIB-NEGATIVE.mgf 164155.0 6 0 57.9612 411.049 0 CCMSLIB00012292483 2423 spectra_filtered.mgf *..* :65604 65602 -1 0 355.103 -1 0.763564 0 0 114.346 1970.0 MEGxp0_000146 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf2423 -1 MSNLIB-NEGATIVE.mgf 183080.0 4 0 65.0123 290.091 0 CCMSLIB00012411709 3940 spectra_filtered.mgf *..* :20465 6580 -1 0 292.118 -1 0.762996 0 0 75390.0 9200.0 NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match] [M+NH4]+ GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf3940 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 263681.0 4 0 77.0261 369.144 0 CCMSLIB00005721876 10959 spectra_filtered.mgf *..* :1 355 -1 0 393.228 -1 0.759994 0 0 3968630.0 8050.0 4(RS)-ST-del5-8-NeuroF M-H NEO-MSMS temp/spectra_filtered.mgf10959 -1 NEO-MSMS.mgf 254441.0 6 0 100.053 293.175 0 CCMSLIB00011431401 11028 spectra_filtered.mgf *..* :924 6905 -1 0 723.172 -1 0.757705 0 0 17487200.0 28930.0 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate M-H GNPS-LIBRARY temp/spectra_filtered.mgf11028 -1 GNPS-LIBRARY.mgf 3.88236 6 0 0.00280762 723.169 0 CCMSLIB00005724416 7759 spectra_filtered.mgf *..* :26601 26600 -1 0 515.12 -1 0.756219 0 0 222.781 3490.0 Isochlorogenic acid A [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7759 -1 MSNLIB-NEGATIVE.mgf 194156.0 5 0 100.013 415.107 0 CCMSLIB00012334046 2798 spectra_filtered.mgf *..* :12745 24744 -1 0 179.035 -1 0.755742 0 0 6888.0 2170.0 Massbank:RP016713 Caffeic acid|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid M-H MASSBANK temp/spectra_filtered.mgf2798 -1 MASSBANK.mgf 11274.4 5 0 2.01851 177.016 0 CCMSLIB00005738296 11395 spectra_filtered.mgf *..* :12770 24769 -1 0 138.055 -1 0.754518 0 0 115304.0 2040.0 Massbank:RP011503 Anthranilic acid|2-azaniumylbenzoate M+H MASSBANK temp/spectra_filtered.mgf11395 -1 MASSBANK.mgf 457017.0 4 0 63.0934 201.148 0 CCMSLIB00005738321 1512 spectra_filtered.mgf *..* :2089 47283 -1 0 312.05 -1 0.754515 0 0 206.27 7420.0 2'-Deoxyadenosine cyclic 3',5'-(hydrogen phosphate) [M-H]- MONA temp/spectra_filtered.mgf1512 -1 MONA.mgf 54554.6 4 0 17.0238 295.026 0 CCMSLIB00004719883 12039 spectra_filtered.mgf *..* :33 33 -1 0 721.361 -1 0.753022 0 0 1859.0 22290.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV M-H SUMNER temp/spectra_filtered.mgf12039 -1 SUMNER.mgf 30469.8 9 0 21.9797 699.381 0 CCMSLIB00004683268 3179 spectra_filtered.mgf *..* :210576 210576 -1 0 269.11 -1 0.752818 0 0 1553.0 21050.0 ellipticine [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf3179 -1 BMDMS-NP.mgf 527749.0 4 0 142.023 411.133 0 CCMSLIB00006564878 5313 spectra_filtered.mgf *..* :1 14547 -1 0 515.139 -1 0.75221 0 0 321573.0 6960.0 1,5-Dicaffeoylquinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf5313 -1 GNPS-LIBRARY.mgf 11629.1 6 0 5.9906 521.13 0 CCMSLIB00012725741 5460 spectra_filtered.mgf *..* :2229 47450 -1 0 563.141 -1 0.751997 0 0 118.923 16350.0 Ambocin [M-H]- MONA temp/spectra_filtered.mgf5460 -1 MONA.mgf 127800.0 5 0 71.9694 635.11 0 CCMSLIB00004720050 7621 spectra_filtered.mgf *..* :12182 30645 -1 0 423.18 -1 0.75124 0 0 140.432 7450.0 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one [M+H]+ MONA temp/spectra_filtered.mgf7621 -1 MONA.mgf 543434.0 4 0 229.97 653.15 0 CCMSLIB00004703245 8481 spectra_filtered.mgf *..* :19349 19349 -1 0 717.146 -1 0.75108 0 0 479.303 22150.0 Salvianolic acid B [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8481 -1 MSNLIB-NEGATIVE.mgf 8432.63 8 0 6.04742 711.099 0 CCMSLIB00012319818 13461 spectra_filtered.mgf *..* :33 33 -1 0 721.361 -1 0.750497 0 0 1859.0 15270.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV M-H SUMNER temp/spectra_filtered.mgf13461 -1 SUMNER.mgf 8391.48 8 0 6.05328 727.414 0 CCMSLIB00004683268 3113 spectra_filtered.mgf *..* :63324 63322 -1 0 337.238 -1 0.75036 0 0 288.443 6120.0 MEGxp0_001651 (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3113 -1 MSNLIB-NEGATIVE.mgf 432.374 7 0 0.145813 337.092 0 CCMSLIB00012407177 42 spectra_filtered.mgf *..* :3560 349 -1 0 133.014 -1 0.749675 0 0 20643000.0 6520.0 (S)-MALATE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf42 -1 GNPS-EMBL-MCF.mgf 1052100.0 5 0 139.944 272.958 0 CCMSLIB00000578132 5471 spectra_filtered.mgf *..* :52175 64174 -1 0 431.098 -1 0.749276 0 0 21816.0 9530.0 Massbank:FIO00765 Afzelin M-H MASSBANK temp/spectra_filtered.mgf5471 -1 MASSBANK.mgf 510353.0 5 0 220.012 651.11 0 CCMSLIB00005777726 10670 spectra_filtered.mgf *..* :18445 30444 -1 0 562.313 -1 0.748331 0 0 476.0 7150.0 Massbank:PR309157 LPC 18:3 M+HCOO MASSBANK temp/spectra_filtered.mgf10670 -1 MASSBANK.mgf 32029.2 4 0 18.0104 580.323 0 CCMSLIB00005743996 4484 spectra_filtered.mgf *..* :15099 27098 -1 0 755.183 -1 0.748183 0 0 857.0 7980.0 Massbank:PR307516 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside M-H MASSBANK temp/spectra_filtered.mgf4484 -1 MASSBANK.mgf 103359.0 7 0 78.0549 677.128 0 CCMSLIB00005740650 4491 spectra_filtered.mgf *..* :1117 46145 -1 0 755.204 -1 0.748017 0 0 209.374 10420.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4491 -1 MONA.mgf 137841.0 4 0 104.098 651.106 0 CCMSLIB00004718745 9614 spectra_filtered.mgf *..* :6080 24543 -1 0 915.678 -1 0.747642 0 0 259.827 4440.0 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol [M-H]- MONA temp/spectra_filtered.mgf9614 -1 MONA.mgf 401165.0 5 0 367.338 548.34 0 CCMSLIB00004697143 5543 spectra_filtered.mgf *..* :64920 64918 -1 0 311.056 -1 0.747542 0 0 124.122 8710.0 KS IV [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf5543 -1 MSNLIB-NEGATIVE.mgf 115658.0 4 0 35.9762 347.032 0 CCMSLIB00012410349 4986 spectra_filtered.mgf *..* :39 44920 -1 0 785.251 -1 0.746098 0 0 274.154 6820.0 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf4986 -1 MONA.mgf 4.19725 11 0 0.0032959 785.248 0 CCMSLIB00004717520 5349 spectra_filtered.mgf *..* :39 44920 -1 0 785.251 -1 0.745884 0 0 274.154 8330.0 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf5349 -1 MONA.mgf 17845.6 12 0 14.0133 799.264 0 CCMSLIB00004717520 9197 spectra_filtered.mgf *..* :47379 47379 -1 0 248.07 -1 0.745811 0 0 3824.0 100380.0 1-hydroxy-10-methylacridone [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf9197 -1 BMDMS-NP.mgf 302275.0 5 0 74.9853 323.055 0 CCMSLIB00006401679 640 spectra_filtered.mgf *..* :18928 30927 -1 0 287.14 -1 0.74547 0 0 1095.0 69510.0 Massbank:PR308174 Indole-3-acetyl-L-leucine M-H MASSBANK temp/spectra_filtered.mgf640 -1 MASSBANK.mgf 10270.9 4 0 2.94919 290.089 0 CCMSLIB00005744479 12232 spectra_filtered.mgf *..* :1406 3254 -1 0 1013.63 -1 0.743914 0 0 21587.0 7420.0 Ser-bMCA 2M+Na BILELIB19 temp/spectra_filtered.mgf12232 -1 BILELIB19.mgf 399862.0 4 0 405.312 608.318 0 CCMSLIB00006583706 4244 spectra_filtered.mgf *..* :23395 41858 -1 0 373.187 -1 0.743404 0 0 289.12 3160.0 2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid [M-H]- MONA temp/spectra_filtered.mgf4244 -1 MONA.mgf 471794.0 5 0 176.067 549.254 0 CCMSLIB00004714458 11878 spectra_filtered.mgf *..* :8 8 -1 0 559.309 -1 0.742866 0 0 1415.0 6990.0 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV M-H SUMNER temp/spectra_filtered.mgf11878 -1 SUMNER.mgf 5.4563 4 0 0.00305176 559.312 0 CCMSLIB00004683243 8474 spectra_filtered.mgf *..* :32 216 -1 0 717.148 -1 0.742452 0 0 5934050.0 28810.0 Salvianolic acid B M-H GNPS-SAM-SIK-KANG-LEGACY-LIBRARY temp/spectra_filtered.mgf8474 -1 GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 66969.1 7 0 48.0268 669.121 0 CCMSLIB00010007912 8296 spectra_filtered.mgf *..* :16775 28774 -1 0 639.157 -1 0.74203 0 0 235.0 7930.0 Massbank:PR306731 isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) M-H MASSBANK temp/spectra_filtered.mgf8296 -1 MASSBANK.mgf 62912.3 6 0 40.2108 679.368 0 CCMSLIB00005742326 7795 spectra_filtered.mgf *..* :6079 24542 -1 0 915.678 -1 0.741217 0 0 400.785 3150.0 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol [M-H]- MONA temp/spectra_filtered.mgf7795 -1 MONA.mgf 268954.0 7 0 246.276 669.402 0 CCMSLIB00004697142 4952 spectra_filtered.mgf *..* :2805 53929 -1 0 172.04 -1 0.74105 0 0 146.1 4610.0 4-QUINOLINECARBOXYLIC ACID M-H MONA temp/spectra_filtered.mgf4952 -1 MONA.mgf 69757.0 4 0 12.001 160.039 0 CCMSLIB00006682958 10947 spectra_filtered.mgf *..* :29132 29131 -1 0 283.098 -1 0.740529 0 0 213.252 11470.0 Caffeic acid phenethyl ester [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf10947 -1 MSNLIB-NEGATIVE.mgf 1364160.0 4 0 386.192 669.29 0 CCMSLIB00012339085 8898 spectra_filtered.mgf *..* :62183 62181 -1 0 551.12 -1 0.740377 0 0 338.183 9320.0 Monomethyl lithospermate [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8898 -1 MSNLIB-NEGATIVE.mgf 4.87289 11 0 0.00268555 551.117 0 CCMSLIB00012404912 10960 spectra_filtered.mgf *..* :20681 39144 -1 0 294.146 -1 0.738178 0 0 309.944 4030.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf10960 -1 MONA.mgf 193745.0 6 0 56.9894 351.135 0 CCMSLIB00004711744 3174 spectra_filtered.mgf *..* :19520 19966 -1 0 230.103 -1 0.737563 0 0 2417030.0 2370.0 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:205060 M-H BERKELEY-LAB temp/spectra_filtered.mgf3174 -1 BERKELEY-LAB.mgf 8.68699 6 0 0.0019989 230.101 0 CCMSLIB00010121955 8424 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.737518 0 0 125785.0 8000.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8424 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 19490.8 10 0 13.9778 731.124 0 CCMSLIB00000845756 3490 spectra_filtered.mgf *..* :30795 30794 -1 0 173.082 -1 0.737387 0 0 148.854 1920.0 Octanedioic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3490 -1 MSNLIB-NEGATIVE.mgf 9.25673 5 0 0.00160217 173.08 0 CCMSLIB00012342407 10042 spectra_filtered.mgf *..* :924 6905 -1 0 723.172 -1 0.736041 0 0 17487200.0 27820.0 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate M-H GNPS-LIBRARY temp/spectra_filtered.mgf10042 -1 GNPS-LIBRARY.mgf 201943.0 5 0 146.039 577.133 0 CCMSLIB00005724416 113 spectra_filtered.mgf *..* :3613 3612 -1 0 459.127 -1 0.735206 0 0 943777.0 860.0 Phloridzin - 30.0 eV M+Na BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf113 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 494516.0 4 0 227.046 232.081 0 CCMSLIB00006118756 4173 spectra_filtered.mgf *..* :1117 46145 -1 0 755.204 -1 0.735168 0 0 209.374 9140.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4173 -1 MONA.mgf 137840.0 5 0 104.098 651.106 0 CCMSLIB00004718745 4110 spectra_filtered.mgf *..* :1117 46145 -1 0 755.204 -1 0.73402 0 0 209.374 7270.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4110 -1 MONA.mgf 124561.0 6 0 94.0693 661.135 0 CCMSLIB00004718745 4532 spectra_filtered.mgf *..* :9474 27937 -1 0 423.13 -1 0.732724 0 0 319.432 2320.0 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate [M-H]- MONA temp/spectra_filtered.mgf4532 -1 MONA.mgf 172541.0 5 0 73.0073 350.123 0 CCMSLIB00004700537 7823 spectra_filtered.mgf *..* :18 422 -1 0 179.035 -1 0.732679 0 0 18180500.0 6900.0 CAFFEATE M-H GNPS-MSMLS temp/spectra_filtered.mgf7823 -1 GNPS-MSMLS.mgf 821455.0 4 0 147.069 326.104 0 CCMSLIB00005464173 4647 spectra_filtered.mgf *..* :2181 47393 -1 0 301.072 -1 0.73251 0 0 153.561 5600.0 Sternbin [M-H]- MONA temp/spectra_filtered.mgf4647 -1 MONA.mgf 226102.0 5 0 68.0731 369.145 0 CCMSLIB00004719993 5450 spectra_filtered.mgf *..* :2393 47652 -1 0 755.24 -1 0.732498 0 0 9.53971 6250.0 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [M-H]- MONA temp/spectra_filtered.mgf5450 -1 MONA.mgf 18554.4 9 0 14.013 769.253 0 CCMSLIB00004720252 7814 spectra_filtered.mgf *..* :50816 62815 -1 0 333.181 -1 0.732475 0 0 2726320.0 12130.0 Massbank:AU259905 Isoxaben|2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide M+H MASSBANK temp/spectra_filtered.mgf7814 -1 MASSBANK.mgf 750452.0 4 0 250.036 583.217 0 CCMSLIB00005776367 11344 spectra_filtered.mgf *..* :15026 33489 -1 0 503.162 -1 0.731194 0 0 519.107 12930.0 Melezitose [M-H]- MONA temp/spectra_filtered.mgf11344 -1 MONA.mgf 433661.0 9 0 218.202 721.364 0 CCMSLIB00004706089 3725 spectra_filtered.mgf *..* :60301 60299 -1 0 311.077 -1 0.729987 0 0 324.64 3750.0 NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3725 -1 MSNLIB-NEGATIVE.mgf 759176.0 7 0 236.162 547.239 0 CCMSLIB00012401185 4384 spectra_filtered.mgf *..* :62082 62080 -1 0 715.13 -1 0.729139 0 0 271.566 15050.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf4384 -1 MSNLIB-NEGATIVE.mgf 316095.0 8 0 226.049 489.081 0 CCMSLIB00012404713 4477 spectra_filtered.mgf *..* :26936 26935 -1 0 225.062 -1 0.729099 0 0 278.993 7650.0 alpha-D-glucose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf4477 -1 MSNLIB-NEGATIVE.mgf 1315810.0 8 0 296.138 521.2 0 CCMSLIB00012334705 3670 spectra_filtered.mgf *..* :19162 31161 -1 0 405.155 -1 0.728596 0 0 3882.0 5520.0 Massbank:PR307949 Lariciresinol M+HCOO MASSBANK temp/spectra_filtered.mgf3670 -1 MASSBANK.mgf 286424.0 7 0 116.046 521.201 0 CCMSLIB00005744713 7677 spectra_filtered.mgf *..* :289 375 -1 0 715.131 -1 0.728099 0 0 99132.0 17790.0 NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf7677 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 86669.7 10 0 61.9802 653.151 0 CCMSLIB00000845890 11695 spectra_filtered.mgf *..* :23924 35923 -1 0 564.33 -1 0.727858 0 0 561.0 4270.0 Massbank:PR309158 LPC 18:2 M+HCOO MASSBANK temp/spectra_filtered.mgf11695 -1 MASSBANK.mgf 2.81203 4 0 0.00158691 564.328 0 CCMSLIB00005749475 10529 spectra_filtered.mgf *..* :12950 24949 -1 0 394.333 -1 0.727621 0 0 7222.0 11030.0 Massbank:RP029713 N-Oleyl-Leucine|N-oleoyl leucine|(2S)-4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid M-H MASSBANK temp/spectra_filtered.mgf10529 -1 MASSBANK.mgf 116564.0 5 0 45.9649 440.298 0 CCMSLIB00005738501 8692 spectra_filtered.mgf *..* :62082 62080 -1 0 715.13 -1 0.72726 0 0 271.566 10920.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8692 -1 MSNLIB-NEGATIVE.mgf 282537.0 5 0 202.05 513.08 0 CCMSLIB00012404713 7701 spectra_filtered.mgf *..* :15800 27799 -1 0 609.146 -1 0.727143 0 0 878.0 5270.0 Massbank:PR306387 Quercetin-3-O-rutinoside M-H MASSBANK temp/spectra_filtered.mgf7701 -1 MASSBANK.mgf 219989.0 6 0 134.005 743.151 0 CCMSLIB00005741351 4023 spectra_filtered.mgf *..* :2318 47557 -1 0 593.151 -1 0.726989 0 0 17.5698 6930.0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4023 -1 MONA.mgf 114618.0 4 0 67.9857 661.137 0 CCMSLIB00004720157 3180 spectra_filtered.mgf *..* :21465 33464 -1 0 407.185 -1 0.726777 0 0 7683.0 5610.0 Massbank:PR309344 Licodione base + 2Prenyl M-H MASSBANK temp/spectra_filtered.mgf3180 -1 MASSBANK.mgf 64007.7 5 0 26.063 381.122 0 CCMSLIB00005747016 13152 spectra_filtered.mgf *..* :19886 38349 -1 0 371.098 -1 0.726744 0 0 213.16 8280.0 (2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [M-H]- MONA temp/spectra_filtered.mgf13152 -1 MONA.mgf 420886.0 6 0 156.19 527.288 0 CCMSLIB00004710949 1431 spectra_filtered.mgf *..* :232 898 -1 0 527.096 -1 0.726486 0 0 60071.0 4820.0 NCGC00385218-01!7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one M+Cl GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf1431 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 22673.8 5 0 11.9513 515.145 0 CCMSLIB00000846972 11337 spectra_filtered.mgf *..* :33 33 -1 0 721.361 -1 0.725752 0 0 1859.0 8660.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV M-H SUMNER temp/spectra_filtered.mgf11337 -1 SUMNER.mgf 1394.39 7 0 1.00586 722.367 0 CCMSLIB00004683268 8740 spectra_filtered.mgf *..* :62083 62081 -1 0 715.13 -1 0.724245 0 0 252.224 29660.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8740 -1 MSNLIB-NEGATIVE.mgf 318914.0 8 0 228.065 487.065 0 CCMSLIB00012404715 6487 spectra_filtered.mgf *..* :1 14578 -1 0 193.05 -1 0.724187 0 0 28659.5 930.0 Trans ferulic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf6487 -1 GNPS-LIBRARY.mgf 165900.0 4 0 32.0269 161.023 0 CCMSLIB00012725772 4221 spectra_filtered.mgf *..* :1115 46143 -1 0 755.204 -1 0.724156 0 0 164.356 5530.0 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [M-H]- MONA temp/spectra_filtered.mgf4221 -1 MONA.mgf 124562.0 4 0 94.0699 661.134 0 CCMSLIB00004718743 9900 spectra_filtered.mgf *..* :20985 32984 -1 0 593.151 -1 0.723688 0 0 2164.0 10640.0 Massbank:PR305994 Cyanidin-3-O-rutinoside M-2H MASSBANK temp/spectra_filtered.mgf9900 -1 MASSBANK.mgf 141710.0 5 0 84.0557 677.207 0 CCMSLIB00005746536 8476 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.723364 0 0 125785.0 6740.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8476 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 64153.4 10 0 46.0074 671.139 0 CCMSLIB00000845756 2376 spectra_filtered.mgf *..* :52283 64282 -1 0 515.12 -1 0.722928 0 0 1364600.0 6550.0 Massbank:FIO00935 Cynarine M-H MASSBANK temp/spectra_filtered.mgf2376 -1 MASSBANK.mgf 372852.0 6 0 192.064 707.184 0 CCMSLIB00005777834 12312 spectra_filtered.mgf *..* :33 33 -1 0 721.361 -1 0.722428 0 0 1859.0 7040.0 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV M-H SUMNER temp/spectra_filtered.mgf12312 -1 SUMNER.mgf 5594.15 7 0 4.0354 725.396 0 CCMSLIB00004683268 3394 spectra_filtered.mgf *..* :210576 210576 -1 0 269.11 -1 0.720742 0 0 1553.0 9040.0 ellipticine [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf3394 -1 BMDMS-NP.mgf 527748.0 4 0 142.022 411.132 0 CCMSLIB00006564878 13330 spectra_filtered.mgf *..* :15404 27403 -1 0 325.092 -1 0.720506 0 0 1594.0 5650.0 Massbank:PR309357 Coumaroyl Hexoside (isomer of 691, 692) M-H MASSBANK temp/spectra_filtered.mgf13330 -1 MASSBANK.mgf 899111.0 4 0 292.294 617.386 0 CCMSLIB00005740955 8530 spectra_filtered.mgf *..* :452 1870 -1 0 433.111 -1 0.719079 0 0 145256.0 6810.0 Spectral Match to Genistin from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf8530 -1 GNPS-NIST14-MATCHES.mgf 960613.0 4 0 416.052 849.163 0 CCMSLIB00003136357 4995 spectra_filtered.mgf *..* :3056 4128 -1 0 305.07 -1 0.7187 0 0 931844.0 22180.0 12-Hydroxyjasmonate sulfate M-H GNPS-LIBRARY temp/spectra_filtered.mgf4995 -1 GNPS-LIBRARY.mgf 114.74 4 0 0.0350037 305.105 0 CCMSLIB00004722172 11239 spectra_filtered.mgf *..* :23035 23034 -1 0 297.088 -1 0.718241 0 0 225.552 1650.0 ID-8 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf11239 -1 MSNLIB-NEGATIVE.mgf 346723.0 4 0 103.007 194.081 0 CCMSLIB00012326970 7834 spectra_filtered.mgf *..* :15015 27014 -1 0 247.123 -1 0.717988 0 0 103.0 2880.0 Massbank:PR301263 Ellipticine M+H MASSBANK temp/spectra_filtered.mgf7834 -1 MASSBANK.mgf 242587.0 4 0 59.9488 307.072 0 CCMSLIB00005740566 8219 spectra_filtered.mgf *..* :267 310 -1 0 717.146 -1 0.716311 0 0 125785.0 18660.0 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid M-H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE temp/spectra_filtered.mgf8219 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 8437.73 11 0 6.05109 711.095 0 CCMSLIB00000845756 10010 spectra_filtered.mgf *..* :19349 19349 -1 0 717.146 -1 0.715153 0 0 479.303 5160.0 Salvianolic acid B [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf10010 -1 MSNLIB-NEGATIVE.mgf 211965.0 7 0 152.01 565.136 0 CCMSLIB00012319818 11576 spectra_filtered.mgf *..* :18709 37172 -1 0 423.18 -1 0.714243 0 0 133.036 3530.0 Kuwanon C [M+H]+ MONA temp/spectra_filtered.mgf11576 -1 MONA.mgf 259801.0 4 0 109.943 313.237 0 CCMSLIB00004709772 5328 spectra_filtered.mgf *..* :13469 25468 -1 0 179.035 -1 0.712752 0 0 4527.0 8150.0 Massbank:PR309377 trans-Caffeic acid M-H MASSBANK temp/spectra_filtered.mgf5328 -1 MASSBANK.mgf 1016930.0 5 0 182.066 361.101 0 CCMSLIB00005739020 6022 spectra_filtered.mgf *..* :1333 19796 -1 0 537.104 -1 0.7116 0 0 396.52 5340.0 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid [M-H]- MONA temp/spectra_filtered.mgf6022 -1 MONA.mgf 3.52276 10 0 0.00189209 537.102 0 CCMSLIB00004692396 9198 spectra_filtered.mgf *..* :21416 33415 -1 0 329.231 -1 0.711322 0 0 5505.0 4730.0 Massbank:PR309108 FA 18:1+3O M-H MASSBANK temp/spectra_filtered.mgf9198 -1 MASSBANK.mgf 492216.0 9 0 162.053 491.284 0 CCMSLIB00005746967 11582 spectra_filtered.mgf *..* :20007 32006 -1 0 636.316 -1 0.711241 0 0 401.0 4440.0 Massbank:PR309168 Hexosyl LPE 18:3 M-H MASSBANK temp/spectra_filtered.mgf11582 -1 MASSBANK.mgf 3164.19 6 0 2.01343 638.329 0 CCMSLIB00005745558 6095 spectra_filtered.mgf *..* :1032 52156 -1 0 165.056 -1 0.710027 0 0 182.0 4910.0 2-(4-HYDROXYPHENYL)PROPIONIC ACID M-H MONA temp/spectra_filtered.mgf6095 -1 MONA.mgf 1139560.0 4 0 188.092 353.148 0 CCMSLIB00006681185 5535 spectra_filtered.mgf *..* :64918 64916 -1 0 311.056 -1 0.709762 0 0 263.261 10920.0 KS IV [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf5535 -1 MSNLIB-NEGATIVE.mgf 6482.1 5 0 2.0163 309.04 0 CCMSLIB00012410345 6512 spectra_filtered.mgf *..* :24804 43267 -1 0 353.088 -1 0.709561 0 0 243.804 7880.0 (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid [M-H]- MONA temp/spectra_filtered.mgf6512 -1 MONA.mgf 79215.0 5 0 27.9699 381.058 0 CCMSLIB00004715867 12121 spectra_filtered.mgf *..* :20682 39145 -1 0 294.146 -1 0.709303 0 0 364.131 4350.0 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate [M-H]- MONA temp/spectra_filtered.mgf12121 -1 MONA.mgf 3233.05 7 0 0.950989 293.195 0 CCMSLIB00004711745 7230 spectra_filtered.mgf *..* :74090 74088 -1 0 315.072 -1 0.709282 0 0 266.541 4700.0 gentisic acid 5-O-beta-glucoside [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7230 -1 MSNLIB-NEGATIVE.mgf 260389.0 5 0 82.0412 397.113 0 CCMSLIB00012428590 5014 spectra_filtered.mgf *..* :13674 25673 -1 0 285.077 -1 0.708477 0 0 1472.0 4980.0 Massbank:PR306071 Sakuranetin M-H MASSBANK temp/spectra_filtered.mgf5014 -1 MASSBANK.mgf 238789.0 4 0 68.0732 353.15 0 CCMSLIB00005739225 7958 spectra_filtered.mgf *..* :4945 23408 -1 0 507.075 -1 0.708215 0 0 187.317 21230.0 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [M+Na]+ MONA temp/spectra_filtered.mgf7958 -1 MONA.mgf 410305.0 4 0 208.056 715.131 0 CCMSLIB00004696008 9530 spectra_filtered.mgf *..* :6917 5451 -1 0 395.2 -1 0.707284 0 0 2091.68 5040.0 Tsangane L 3-glucoside M+Na-2H GNPS-LIBRARY temp/spectra_filtered.mgf9530 -1 GNPS-LIBRARY.mgf 25371.2 8 0 10.0267 385.173 0 CCMSLIB00005467770 3968 spectra_filtered.mgf *..* :74504 74502 -1 0 401.145 -1 0.7068 0 0 303.147 1910.0 NCGC00385728-01 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf3968 -1 MSNLIB-NEGATIVE.mgf 29915.1 5 0 12.0003 413.145 0 CCMSLIB00012429415 7363 spectra_filtered.mgf *..* :1 14542 -1 0 515.139 -1 0.706383 0 0 300307.0 7400.0 3,5-Di-caffeoylquinic acid M-H GNPS-LIBRARY temp/spectra_filtered.mgf7363 -1 GNPS-LIBRARY.mgf 38832.5 5 0 20.0042 535.143 0 CCMSLIB00012725736 3843 spectra_filtered.mgf *..* :1234 19697 -1 0 359.077 -1 0.706278 0 0 192.79 4920.0 rosmarinic acid [M-H]- MONA temp/spectra_filtered.mgf3843 -1 MONA.mgf 495788.0 6 0 178.026 537.103 0 CCMSLIB00004692297 9151 spectra_filtered.mgf *..* :912 4015 -1 0 343.08 -1 0.70598 0 0 51060.0 5120.0 Spectral Match to Rosmarinic acid from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf9151 -1 GNPS-NIST14-MATCHES.mgf 507166.0 4 0 173.999 517.079 0 CCMSLIB00003138502 5051 spectra_filtered.mgf *..* :1563 50804 -1 0 359.077 -1 0.705003 0 0 162.7 5170.0 ROSMARINIC ACID M-H MONA temp/spectra_filtered.mgf5051 -1 MONA.mgf 451299.0 6 0 162.051 521.128 0 CCMSLIB00006679833 8053 spectra_filtered.mgf *..* :26227 44690 -1 0 178.037 -1 0.704662 0 0 61.6306 6970.0 Xanthopterin [M-H]- MONA temp/spectra_filtered.mgf8053 -1 MONA.mgf 1297660.0 4 0 231.032 409.069 0 CCMSLIB00004717290 12863 spectra_filtered.mgf *..* :1151 1048 -1 0 293.176 -1 0.704376 0 0 243.605 3310.0 6-Gingerol [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf12863 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 118.041 4 0 0.0346069 293.211 0 CCMSLIB00012254348 1527 spectra_filtered.mgf *..* :1508 52632 -1 0 267.073 -1 0.70416 0 0 157.1 940.0 INOSINE M-H MONA temp/spectra_filtered.mgf1527 -1 MONA.mgf 131008.0 4 0 34.9887 232.084 0 CCMSLIB00006681661 9325 spectra_filtered.mgf *..* :78282 78282 -1 0 355.075 -1 0.703926 0 0 154.522 7490.0 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf9325 -1 MSNLIB-POSITIVE.mgf 428127.0 5 0 152.017 507.092 0 CCMSLIB00012424736 8642 spectra_filtered.mgf *..* :62082 62080 -1 0 715.13 -1 0.703189 0 0 271.566 6310.0 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf8642 -1 MSNLIB-NEGATIVE.mgf 282536.0 6 0 202.05 513.08 0 CCMSLIB00012404713 7985 spectra_filtered.mgf *..* :15453 15453 -1 0 311.041 -1 0.702365 0 0 184.864 10410.0 caftaric acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf7985 -1 MSNLIB-NEGATIVE.mgf 231598.0 5 0 72.0363 383.077 0 CCMSLIB00012312445 13034 spectra_filtered.mgf *..* :60715 60713 -1 0 499.27 -1 0.701205 0 0 168.953 16420.0 NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf13034 -1 MSNLIB-NEGATIVE.mgf 16076.1 5 0 8.02631 507.296 0 CCMSLIB00012402010 11230 spectra_filtered.mgf *..* :20565 32564 -1 0 721.363 -1 0.701182 0 0 3785.0 7280.0 Massbank:PR309171 DGMG 18:3 M+HCOO MASSBANK temp/spectra_filtered.mgf11230 -1 MASSBANK.mgf 0.676887 8 0 0.000488281 721.362 0 CCMSLIB00005746116 nf_output/XANTHONES-DB.mgf.tsv0000644000000000000000000000000114704537050014733 0ustar rootroot nf_output/LDB_POSITIVE.mgf.tsv0000644000000000000000000000000114704537053015027 0ustar rootroot nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv0000644000000000000000000000000114704537053021532 0ustar rootroot nf_output/UM-NPDC.mgf.tsv0000644000000000000000000000000114704537053014147 0ustar rootroot nf_output/SUMNER.mgf.tsv0000644000000000000000000000000114704537051014113 0ustar rootroot nf_output/GNPS-D2-AMINO-LIPID-LIBRARY.mgf.tsv0000644000000000000000000000000114704537050016715 0ustar rootroot nf_output/clustering/0000755000000000000000000000000014704537056013771 5ustar rootrootnf_output/clustering/specs_ms.mgf0000644000000000000000000261332414704537053016310 0ustar rootrootBEGIN IONS FEATURE_ID=3 PEPMASS=102.9568 SCANS=3 RTINSECONDS=3.422 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (1 removed due to low quality, 0 removed due to low cosine). 60.9674 2.8E2 87.9244 1.5E2 END IONS BEGIN IONS FEATURE_ID=4 PEPMASS=164.9267 SCANS=4 RTINSECONDS=4.831 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 9 (8 removed due to low quality, 0 removed due to low cosine). 76.9470 3.6E2 120.9337 4.6E2 120.9594 1.1E2 128.8681 1.3E2 493.6468 1.0E2 728.3972 1.7E2 END IONS BEGIN IONS FEATURE_ID=6 PEPMASS=242.9432 SCANS=6 RTINSECONDS=6.412 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9580 1.1E2 86.9514 1.1E2 86.9780 1.8E2 128.0311 1.1E2 130.9658 1.2E3 172.0348 1.4E2 207.8590 1.6E2 541.4933 1.2E2 855.8495 1.2E2 END IONS BEGIN IONS FEATURE_ID=8 PEPMASS=174.9552 SCANS=8 RTINSECONDS=12.755 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 61.9874 1.2E2 86.9788 1.3E3 87.0274 1.0E2 119.2669 1.5E2 130.9680 1.9E2 END IONS BEGIN IONS FEATURE_ID=10 PEPMASS=134.8650 SCANS=10 RTINSECONDS=20.234 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 92.0257 2.9E2 99.9235 2.2E2 108.0166 1.1E2 134.8618 5.3E2 136.0171 1.0E2 284.4839 1.8E2 342.9379 1.5E2 866.5068 2.1E2 END IONS BEGIN IONS FEATURE_ID=11 PEPMASS=164.9268 SCANS=11 RTINSECONDS=20.234 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 66.0910 1.3E2 75.0244 1.1E2 76.9469 4.5E2 78.9465 1.3E2 94.9776 1.6E2 149.8882 1.4E2 END IONS BEGIN IONS FEATURE_ID=12 PEPMASS=255.8212 SCANS=12 RTINSECONDS=26.606 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 103.9250 1.2E2 135.8712 1.1E2 147.8968 1.9E2 166.8650 2.6E3 166.9654 1.2E2 168.8609 5.6E2 201.8321 4.5E2 203.8271 4.3E2 896.7605 2.7E2 END IONS BEGIN IONS FEATURE_ID=14 PEPMASS=102.9568 SCANS=14 RTINSECONDS=26.606 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 353.8648 1.8E2 754.0868 1.1E2 END IONS BEGIN IONS FEATURE_ID=15 PEPMASS=242.9426 SCANS=15 RTINSECONDS=29.182 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (4 removed due to low quality, 0 removed due to low cosine). 86.9793 3.6E2 239.2166 1.5E2 583.9560 1.0E2 END IONS BEGIN IONS FEATURE_ID=17 PEPMASS=174.9550 SCANS=17 RTINSECONDS=34.089 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9888 1.6E2 86.9760 6.1E2 87.0078 1.1E2 130.9681 2.0E2 439.7621 1.1E2 END IONS BEGIN IONS FEATURE_ID=18 PEPMASS=164.9265 SCANS=18 RTINSECONDS=38.076 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9478 2.5E2 118.9417 1.5E2 120.9392 1.9E2 121.9335 1.3E2 148.8932 2.3E2 746.2978 2.6E2 830.5666 2.1E2 END IONS BEGIN IONS FEATURE_ID=21 PEPMASS=102.9567 SCANS=21 RTINSECONDS=43.133 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 74.0243 2.1E2 539.6230 1.2E2 END IONS BEGIN IONS FEATURE_ID=24 PEPMASS=164.9265 SCANS=24 RTINSECONDS=49.092 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 74.9429 1.0E2 147.8809 1.2E2 896.6194 2.0E2 END IONS BEGIN IONS FEATURE_ID=25 PEPMASS=174.9548 SCANS=25 RTINSECONDS=49.703 CHARGE=1- MSLEVEL=2 86.9777 1.4E3 87.0203 1.2E2 105.0347 1.9E2 130.9736 2.0E2 END IONS BEGIN IONS FEATURE_ID=27 PEPMASS=255.8217 SCANS=27 RTINSECONDS=51.44 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0290 1.3E2 98.9576 1.4E2 100.9346 2.1E2 102.9452 1.8E2 130.9620 1.2E2 183.8643 1.3E2 184.8801 1.5E2 201.8347 2.1E3 201.9017 1.4E2 201.9631 1.1E2 202.8317 2.6E2 203.8321 1.5E3 203.9000 1.5E2 217.8529 1.5E2 219.8421 7.2E2 219.9097 1.0E2 220.8564 1.1E2 221.8446 1.5E3 221.9579 1.1E2 254.8692 1.2E2 END IONS BEGIN IONS FEATURE_ID=28 PEPMASS=242.9427 SCANS=28 RTINSECONDS=61.256 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.9900 1.3E2 68.9973 1.3E2 78.9753 1.2E2 84.9612 1.7E2 86.9783 9.5E2 100.9239 1.6E2 152.8956 1.3E2 209.6005 1.5E2 END IONS BEGIN IONS FEATURE_ID=42 PEPMASS=272.9577 SCANS=42 RTINSECONDS=69.218 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 70.9993 3.9E3 71.0565 1.9E2 71.0778 1.9E2 71.9994 8.3E2 72.9961 8.8E2 94.9270 1.6E2 114.9899 4.4E2 115.9900 2.4E2 116.9455 1.5E2 116.9860 2.3E2 END IONS BEGIN IONS FEATURE_ID=49 PEPMASS=158.9774 SCANS=49 RTINSECONDS=70.732 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (4 removed due to low quality, 0 removed due to low cosine). 70.9998 6.4E2 71.0243 1.9E2 73.0019 1.0E2 83.6249 1.2E2 END IONS BEGIN IONS FEATURE_ID=50 PEPMASS=226.9644 SCANS=50 RTINSECONDS=69.098 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.9971 2.9E2 114.9891 6.2E2 END IONS BEGIN IONS FEATURE_ID=57 PEPMASS=322.1134 SCANS=57 RTINSECONDS=70.76 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0147 1.1E3 89.0252 2.5E2 100.0410 1.6E2 108.0447 1.7E2 124.0407 5.0E2 126.0543 4.2E2 138.0505 1.3E2 142.0517 8.4E2 147.0293 1.4E2 149.0456 1.9E2 154.0542 2.0E2 156.9909 1.1E2 176.0512 1.4E2 226.0574 1.7E2 233.0715 1.8E2 304.1007 1.1E2 END IONS BEGIN IONS FEATURE_ID=113 PEPMASS=232.0814 SCANS=113 RTINSECONDS=73.055 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0348 1.1E2 70.0319 2.6E2 71.0126 1.3E2 84.0424 2.5E2 86.0250 1.1E2 END IONS BEGIN IONS FEATURE_ID=154 PEPMASS=280.9064 SCANS=154 RTINSECONDS=76.398 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 112.9858 8.7E2 113.0402 1.0E2 END IONS BEGIN IONS FEATURE_ID=199 PEPMASS=326.9010 SCANS=199 RTINSECONDS=79.173 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.9991 2.2E3 71.0411 2.6E2 71.0731 1.0E2 71.1043 1.1E2 72.0009 4.0E2 114.9883 2.7E3 115.9912 6.0E2 116.9872 6.5E2 117.9927 1.4E2 122.0612 1.2E2 END IONS BEGIN IONS FEATURE_ID=218 PEPMASS=128.9590 SCANS=218 RTINSECONDS=80.048 CHARGE=1- MSLEVEL=2 925.4556 1.0E2 END IONS BEGIN IONS FEATURE_ID=219 PEPMASS=296.8809 SCANS=219 RTINSECONDS=80.048 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 128.9564 4.2E2 128.9916 1.0E2 END IONS BEGIN IONS FEATURE_ID=220 PEPMASS=380.8411 SCANS=220 RTINSECONDS=80.997 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 128.0112 1.2E2 128.9585 4.4E3 129.0636 1.8E2 129.1536 1.1E2 129.2156 1.6E2 130.9556 3.4E2 END IONS BEGIN IONS FEATURE_ID=270 PEPMASS=216.0866 SCANS=270 RTINSECONDS=85.96 CHARGE=1- MSLEVEL=2 96.0445 2.6E2 END IONS BEGIN IONS FEATURE_ID=290 PEPMASS=170.0812 SCANS=290 RTINSECONDS=88.154 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 78.0326 2.2E2 79.0341 1.1E2 END IONS BEGIN IONS FEATURE_ID=323 PEPMASS=471.0734 SCANS=323 RTINSECONDS=90.037 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0219 1.3E2 101.0206 1.0E2 113.0274 1.4E2 119.0330 1.4E2 128.9598 2.5E3 129.0647 1.5E2 129.9615 1.0E2 130.0847 1.3E2 130.9530 2.3E2 131.0415 4.8E2 154.9837 2.1E2 161.0479 1.3E2 179.0526 5.0E2 341.1029 3.0E3 342.1088 3.4E2 343.1022 1.1E2 END IONS BEGIN IONS FEATURE_ID=382 PEPMASS=322.1147 SCANS=382 RTINSECONDS=88.988 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0358 1.9E2 69.0397 1.2E2 70.0309 2.2E2 71.0163 1.2E2 72.0186 1.8E2 80.0497 1.0E2 84.0448 4.5E2 85.0273 3.5E2 96.0463 2.1E2 100.0451 1.7E2 108.0471 1.2E2 124.0307 1.7E2 136.0750 1.1E2 186.0702 1.1E2 194.0807 1.4E2 END IONS BEGIN IONS FEATURE_ID=392 PEPMASS=239.0776 SCANS=392 RTINSECONDS=93.453 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.9997 2.0E2 122.0362 2.2E2 END IONS BEGIN IONS FEATURE_ID=393 PEPMASS=387.1141 SCANS=393 RTINSECONDS=91.965 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 18 (0 removed due to low quality, 14 removed due to low cosine). 60.0189 2.1E2 71.0141 6.4E3 71.0547 2.0E2 71.0931 3.1E2 72.0144 1.9E2 73.0283 2.8E2 83.0139 1.9E2 85.0286 7.0E2 85.0324 2.5E2 87.0039 1.4E2 87.0307 2.7E2 88.3675 1.2E2 88.6000 1.0E2 89.0243 6.6E3 90.0298 2.8E2 95.0121 3.1E2 96.0194 1.2E2 97.0085 1.5E2 101.0237 2.1E3 102.0283 2.1E2 107.0354 2.7E2 109.0142 1.9E2 113.0239 1.3E3 114.0271 1.8E2 119.0331 1.4E3 129.0176 1.5E2 199.0506 1.2E2 234.1164 1.5E2 305.5774 1.0E2 380.6418 1.3E2 521.2753 1.1E2 END IONS BEGIN IONS FEATURE_ID=413 PEPMASS=341.1091 SCANS=413 RTINSECONDS=92.702 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 20 (0 removed due to low quality, 19 removed due to low cosine). 60.0149 1.2E2 71.0143 7.1E2 72.0171 2.7E2 89.0242 3.2E2 95.0155 1.6E2 96.0191 1.0E2 101.0259 3.1E2 111.0050 2.1E2 END IONS BEGIN IONS FEATURE_ID=430 PEPMASS=278.1253 SCANS=430 RTINSECONDS=93.325 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 71.0125 2.6E2 71.0756 1.4E2 73.0305 9.5E2 74.0237 4.4E2 74.0286 1.9E2 75.0075 2.2E2 85.0310 1.3E2 96.0810 1.1E3 101.0238 2.1E3 101.0598 4.1E2 101.0679 1.3E2 102.0354 1.4E2 110.0603 1.9E2 112.0670 1.2E2 114.0557 4.2E2 115.0500 1.4E2 115.0970 1.1E2 116.0713 4.4E4 116.1251 3.7E2 116.1707 2.4E3 116.5923 1.1E2 116.6009 1.2E2 116.6970 1.5E2 116.7469 1.4E2 116.8579 2.7E2 117.0728 2.1E3 117.0774 1.1E3 117.1262 1.5E2 117.5403 1.1E2 118.0478 4.0E2 118.0526 1.2E3 118.0706 2.5E2 158.0810 1.2E3 160.0603 3.1E2 234.0952 1.7E2 690.7525 1.3E2 END IONS BEGIN IONS FEATURE_ID=522 PEPMASS=292.1412 SCANS=522 RTINSECONDS=93.325 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 71.0148 2.1E2 71.0217 1.6E2 72.0132 1.6E2 73.0320 9.3E2 84.0802 3.0E2 84.1009 1.1E2 86.0624 1.4E2 96.0293 1.3E2 98.0268 1.3E2 99.0323 1.1E2 101.0258 1.6E3 101.0749 1.6E2 101.1199 1.0E2 102.0292 1.3E2 110.0995 5.1E2 113.0325 3.7E2 114.0117 1.4E2 114.0204 1.4E2 115.0787 3.2E2 126.0899 2.6E2 130.0457 1.7E2 130.0878 2.6E4 130.1927 1.1E3 131.0467 3.7E2 131.0921 2.0E3 131.1997 1.1E2 132.0934 5.1E2 172.1000 1.8E2 203.1101 2.5E2 629.2133 1.4E2 END IONS BEGIN IONS FEATURE_ID=548 PEPMASS=177.0763 SCANS=548 RTINSECONDS=96.801 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0125 1.9E2 89.0274 1.2E2 101.0233 2.9E3 102.0264 3.1E2 115.0392 6.9E2 177.0718 1.9E2 END IONS BEGIN IONS FEATURE_ID=640 PEPMASS=290.0892 SCANS=640 RTINSECONDS=99.744 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 70.0318 1.0E3 71.0151 2.0E2 72.0347 1.5E2 73.0316 8.4E2 81.0328 1.6E2 82.0316 1.7E2 84.0479 9.6E2 85.0373 1.3E2 89.0263 1.5E2 96.0470 3.7E2 98.0264 3.4E2 98.0613 1.5E2 101.0239 2.0E3 110.1013 1.5E2 111.0320 2.1E2 112.0433 1.1E2 113.0358 8.1E2 114.0185 5.9E2 115.0770 4.2E2 115.0848 2.1E2 128.0357 3.2E4 128.1397 1.7E3 129.0386 1.8E3 129.0953 1.0E2 129.1813 1.6E2 129.3590 1.0E2 130.0475 3.4E2 130.0872 2.4E4 130.1429 3.2E2 130.1610 1.4E2 130.1915 1.0E3 130.4338 1.2E2 130.8505 1.2E2 130.9046 1.1E2 131.0464 7.2E2 131.0896 1.5E3 131.5228 1.3E2 142.0812 1.1E2 144.0391 1.0E2 151.0650 1.3E2 154.0494 4.3E2 168.0305 1.1E2 168.0659 6.2E2 170.0452 5.6E2 171.0484 1.2E2 172.0937 1.4E2 182.0394 1.9E2 200.0559 3.1E3 200.1178 3.2E2 201.0601 6.8E2 201.3993 1.2E2 202.0573 1.0E2 214.0695 1.8E2 228.0891 1.9E2 230.0644 1.4E2 254.0578 1.2E2 598.4137 1.2E2 END IONS BEGIN IONS FEATURE_ID=694 PEPMASS=133.0154 SCANS=694 RTINSECONDS=101.013 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 71.0159 2.7E3 72.9937 1.6E3 73.0168 2.1E2 75.0107 4.3E2 87.0109 2.2E2 89.0241 1.5E2 114.5659 1.3E2 115.0048 6.1E2 116.0043 1.1E2 797.4374 1.3E2 END IONS BEGIN IONS FEATURE_ID=746 PEPMASS=618.2285 SCANS=746 RTINSECONDS=101.88 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0130 1.7E2 101.0249 1.3E3 101.0777 1.0E2 102.7736 1.2E2 114.0574 2.1E3 114.1560 1.8E2 115.0542 1.3E2 116.0710 2.3E3 117.3629 1.1E2 143.0352 2.0E2 156.0614 1.5E2 158.0819 4.0E2 161.0440 3.8E2 186.0758 1.1E3 187.0798 1.8E2 187.1582 1.0E2 188.0923 1.8E3 189.1007 2.1E2 258.0949 1.4E2 260.1166 1.2E2 276.1085 1.2E3 277.1088 1.7E2 277.8832 1.1E2 278.1252 2.5E3 279.1265 2.1E2 286.0325 1.8E2 314.0369 1.9E2 END IONS BEGIN IONS FEATURE_ID=803 PEPMASS=135.0304 SCANS=803 RTINSECONDS=105.392 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0136 1.2E2 75.0084 6.6E2 77.0118 1.4E2 END IONS BEGIN IONS FEATURE_ID=809 PEPMASS=429.0703 SCANS=809 RTINSECONDS=105.48 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0252 2.4E2 113.0258 1.2E2 129.0205 3.7E2 159.0270 1.3E2 195.0508 4.2E3 195.1775 1.6E2 196.0676 1.9E2 197.0552 1.8E2 END IONS BEGIN IONS FEATURE_ID=812 PEPMASS=209.0680 SCANS=812 RTINSECONDS=105.48 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 81.0392 2.1E2 85.0314 4.6E2 87.0132 1.1E2 129.0217 4.0E2 END IONS BEGIN IONS FEATURE_ID=818 PEPMASS=533.1750 SCANS=818 RTINSECONDS=107.563 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 6 (0 removed due to low quality, 0 removed due to low cosine). 67.0174 4.1E2 71.2093 2.6E2 83.0168 1.8E2 84.9977 1.6E2 85.0295 9.3E2 85.0343 4.7E2 86.0292 1.5E2 87.0098 1.3E2 93.0370 2.0E2 111.0434 1.4E2 127.0383 2.4E2 128.0400 4.1E2 131.0464 1.2E2 151.0411 2.2E2 159.0367 1.2E2 173.0416 2.0E2 177.0722 1.6E2 190.9565 2.6E2 191.0565 7.1E4 191.1826 6.8E2 191.6229 1.3E2 191.6384 2.1E2 191.8520 1.2E2 192.0602 6.8E3 192.1211 2.6E2 192.1887 1.2E2 192.2784 1.2E2 192.3175 1.1E2 192.3994 1.2E2 193.0575 7.8E2 193.0642 5.8E2 194.0740 1.2E2 194.3526 1.2E2 196.8840 1.3E2 280.8834 1.6E2 332.3417 1.6E2 533.1834 2.2E2 END IONS BEGIN IONS FEATURE_ID=819 PEPMASS=165.0411 SCANS=819 RTINSECONDS=107.145 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 9 (6 removed due to low quality, 1 removed due to low cosine). 71.0155 3.2E2 74.6370 1.1E2 75.0103 3.0E3 75.0377 2.4E2 75.0808 1.2E2 76.0080 1.1E2 76.0150 1.9E2 85.0270 1.2E2 87.0129 1.3E2 89.0271 2.6E2 END IONS BEGIN IONS FEATURE_ID=826 PEPMASS=179.0568 SCANS=826 RTINSECONDS=109.731 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0106 7.6E2 78.9192 1.5E2 138.0519 2.5E2 END IONS BEGIN IONS FEATURE_ID=827 PEPMASS=191.0564 SCANS=827 RTINSECONDS=107.978 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 68.0193 2.1E2 71.0166 3.1E2 75.0083 1.1E3 81.0370 2.3E2 83.0179 1.9E2 83.0480 1.9E2 84.0214 1.2E2 85.0277 4.4E2 87.0105 1.6E2 381.0163 1.1E2 END IONS BEGIN IONS FEATURE_ID=843 PEPMASS=699.2249 SCANS=843 RTINSECONDS=109.192 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 75.0079 4.3E2 75.0121 2.6E2 85.0263 1.1E2 85.0329 1.7E2 87.0093 1.9E2 89.0238 2.3E2 99.0089 5.5E2 111.0094 2.2E2 113.0204 1.2E2 114.0276 1.1E2 129.0218 1.1E3 130.0284 2.2E2 141.0230 2.4E2 160.3704 1.3E2 161.0461 1.6E2 178.0376 1.4E2 179.0563 1.4E2 181.0646 1.6E2 194.8056 1.1E2 194.9177 1.1E2 195.0514 2.1E4 195.4843 1.3E2 196.0549 1.1E3 196.0601 2.4E2 196.0937 1.1E2 196.6317 1.1E2 197.0520 5.2E2 197.0578 2.4E2 316.0158 1.9E2 323.1015 1.3E2 395.1327 1.7E2 665.2131 1.1E3 667.4470 1.1E2 701.1773 1.6E2 701.1948 1.9E2 702.1907 1.1E2 703.1841 2.2E2 956.0198 1.2E2 END IONS BEGIN IONS FEATURE_ID=846 PEPMASS=195.0515 SCANS=846 RTINSECONDS=109.372 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 11 (10 removed due to low quality, 0 removed due to low cosine). 71.0136 2.7E2 75.0109 1.1E3 75.0441 1.1E2 80.0242 1.5E2 87.0093 6.0E2 105.0186 3.4E2 159.0246 2.3E2 177.0328 1.5E2 195.0512 3.1E2 END IONS BEGIN IONS FEATURE_ID=905 PEPMASS=115.0057 SCANS=905 RTINSECONDS=114.603 CHARGE=1- MSLEVEL=2 99.0070 2.0E2 END IONS BEGIN IONS FEATURE_ID=917 PEPMASS=133.0150 SCANS=917 RTINSECONDS=114.61 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 71.0169 6.8E2 72.9958 2.3E2 75.0090 5.8E2 89.0220 1.4E2 115.0039 6.2E2 115.0366 1.2E2 135.0302 1.4E2 END IONS BEGIN IONS FEATURE_ID=941 PEPMASS=794.2600 SCANS=941 RTINSECONDS=115.11 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 101.0325 1.3E2 102.0309 1.3E2 128.0354 8.9E2 130.0892 4.0E2 170.0390 2.3E2 179.0503 1.6E2 185.0558 2.5E2 200.0553 2.1E3 201.0575 1.3E2 202.1077 1.1E3 203.0672 1.4E2 210.0843 1.3E2 244.1190 3.7E2 254.0703 2.3E2 272.0836 1.8E2 290.0885 5.8E3 291.0915 1.0E3 292.1406 8.2E2 292.2287 1.3E2 293.0996 3.7E2 293.1332 1.8E2 294.1011 1.4E2 598.1480 1.1E2 794.2497 3.1E2 795.2492 1.9E2 796.3023 3.9E2 END IONS BEGIN IONS FEATURE_ID=945 PEPMASS=267.0738 SCANS=945 RTINSECONDS=117.345 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0168 7.5E2 85.0299 1.1E2 87.0087 3.6E2 91.0446 1.4E2 101.0243 1.8E2 104.0341 1.5E2 END IONS BEGIN IONS FEATURE_ID=946 PEPMASS=377.0889 SCANS=946 RTINSECONDS=115.345 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (8 removed due to low quality, 1 removed due to low cosine). 72.0168 2.3E2 89.0259 1.9E2 113.0262 2.3E2 END IONS BEGIN IONS FEATURE_ID=961 PEPMASS=439.0909 SCANS=961 RTINSECONDS=114.603 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 62.0094 1.6E2 62.9649 2.3E2 71.0139 1.1E2 78.9609 8.3E3 78.9893 1.1E2 79.0341 2.0E2 79.0432 2.0E2 80.9671 1.4E2 89.0285 2.5E2 96.9714 2.5E4 97.0539 4.1E2 97.4277 1.1E2 97.5051 1.1E2 97.5930 1.0E2 97.6448 1.3E2 97.6881 1.0E2 98.3405 1.1E2 98.9685 2.3E2 100.0389 1.2E2 126.9450 1.0E2 129.0169 1.2E2 132.0270 2.2E2 243.0252 1.9E2 411.1119 1.6E2 439.0862 1.6E2 461.8914 2.6E2 933.5211 1.1E2 END IONS BEGIN IONS FEATURE_ID=997 PEPMASS=215.0337 SCANS=997 RTINSECONDS=119.539 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 147.0920 1.8E2 155.0792 1.3E2 END IONS BEGIN IONS FEATURE_ID=1033 PEPMASS=366.1353 SCANS=1033 RTINSECONDS=122.929 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0328 1.3E2 101.0241 2.0E3 111.0527 1.6E2 115.0406 5.4E2 119.0325 1.5E2 130.0418 1.0E2 130.0846 1.3E2 138.9937 1.7E2 168.0586 1.2E2 169.9965 1.0E2 END IONS BEGIN IONS FEATURE_ID=1099 PEPMASS=200.0575 SCANS=1099 RTINSECONDS=123.89 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 74.0251 2.3E2 128.0359 1.2E3 129.0346 1.5E2 130.0886 3.2E2 164.8313 1.6E2 643.6093 1.1E2 END IONS BEGIN IONS FEATURE_ID=1104 PEPMASS=405.1529 SCANS=1104 RTINSECONDS=123.89 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 70.0678 3.1E2 71.0128 1.8E2 73.0380 1.2E2 74.0263 1.2E3 80.0497 1.0E2 82.0269 2.5E2 82.0320 1.2E3 82.0635 2.3E2 83.9983 1.2E2 84.0463 1.9E3 84.1306 1.2E2 85.0513 2.7E2 86.0192 1.5E2 86.0234 2.0E2 94.0671 2.7E2 97.0483 1.0E2 101.0251 4.4E2 102.0543 2.5E2 111.0330 1.5E2 111.0370 1.9E2 112.0747 7.8E2 113.0469 1.1E2 116.0716 6.0E2 122.0939 1.1E2 124.0777 4.9E2 125.0768 2.4E2 126.0529 2.2E2 126.8213 1.0E2 127.0515 5.4E2 128.0356 9.0E3 128.1174 3.1E2 128.1410 2.1E2 129.0418 3.8E2 130.0411 3.1E2 135.0910 1.4E2 137.1088 1.0E2 138.0879 2.2E2 140.1045 1.4E2 151.0911 1.4E2 153.0638 1.2E2 153.1052 2.1E2 155.0589 1.6E2 155.1173 7.7E2 155.1236 6.2E2 155.1607 1.1E2 156.1226 3.7E2 156.1959 1.1E2 166.0825 1.1E2 170.0354 1.3E2 181.0973 3.1E3 181.2205 1.2E2 199.1088 3.7E3 200.1190 4.9E2 235.1002 2.6E2 838.8523 1.4E2 END IONS BEGIN IONS FEATURE_ID=1108 PEPMASS=290.0899 SCANS=1108 RTINSECONDS=124.829 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 14 (0 removed due to low quality, 12 removed due to low cosine). 70.0317 1.4E2 84.0478 2.3E2 84.0803 1.2E2 97.0561 1.1E2 101.0249 4.4E2 124.0422 1.4E2 128.0367 7.4E3 128.1368 5.6E2 129.0409 1.9E2 130.0884 7.1E2 170.0460 6.5E2 192.0621 1.3E2 200.0562 8.0E2 590.8932 1.0E2 END IONS BEGIN IONS FEATURE_ID=1110 PEPMASS=339.1313 SCANS=1110 RTINSECONDS=125.071 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 61.0244 1.0E2 71.0141 1.1E3 71.0923 1.2E2 73.0270 2.3E2 85.0301 1.2E2 89.0271 1.9E2 101.0259 9.1E2 102.0312 1.6E2 113.0271 2.5E2 END IONS BEGIN IONS FEATURE_ID=1134 PEPMASS=133.0153 SCANS=1134 RTINSECONDS=125.525 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0159 4.7E2 72.9937 3.2E2 89.0248 1.8E2 115.0060 2.5E2 END IONS BEGIN IONS FEATURE_ID=1230 PEPMASS=191.0207 SCANS=1230 RTINSECONDS=127.447 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (6 removed due to low quality, 0 removed due to low cosine). 67.0184 3.7E2 68.0218 3.0E2 75.0110 2.1E2 85.0290 1.8E3 85.0771 1.5E2 87.0099 1.8E3 87.0383 1.1E2 103.0412 1.2E2 111.0106 2.0E3 129.0185 1.1E2 193.0062 1.8E2 END IONS BEGIN IONS FEATURE_ID=1245 PEPMASS=177.0767 SCANS=1245 RTINSECONDS=127.705 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 71.0113 1.7E2 100.2545 1.1E2 101.0256 1.2E4 101.0952 1.5E2 101.1183 1.5E2 101.3457 1.5E2 102.0288 3.3E2 103.0249 2.4E2 103.0324 2.2E2 104.7218 1.3E2 115.0403 2.2E3 115.0432 1.4E2 115.0742 1.7E2 135.0428 2.2E2 177.0720 1.4E2 177.1017 1.1E2 422.7007 1.6E2 END IONS BEGIN IONS FEATURE_ID=1420 PEPMASS=197.0460 SCANS=1420 RTINSECONDS=135.039 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (0 removed due to low quality, 6 removed due to low cosine). 72.9948 1.0E3 123.0442 5.4E2 134.0448 2.3E2 134.9717 1.8E2 135.0441 6.2E2 151.0387 1.2E2 153.0209 2.2E2 162.8406 3.2E2 179.0367 1.6E2 799.0363 1.1E2 END IONS BEGIN IONS FEATURE_ID=1431 PEPMASS=515.1447 SCANS=1431 RTINSECONDS=134.725 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 117.0354 1.1E2 162.0293 1.6E2 173.0471 1.8E2 179.0475 1.5E2 191.0557 1.5E3 192.0684 1.9E2 193.0122 1.7E2 204.0907 1.3E2 323.0803 9.3E2 324.0801 3.7E2 353.0834 8.0E2 415.1312 1.2E2 421.1871 1.4E2 515.1452 1.3E3 516.1454 5.6E2 516.2118 1.5E2 517.1526 3.4E2 518.1545 1.3E2 519.2261 1.0E2 END IONS BEGIN IONS FEATURE_ID=1432 PEPMASS=448.1774 SCANS=1432 RTINSECONDS=133.731 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0326 1.2E2 106.9762 1.6E2 168.0705 1.3E2 END IONS BEGIN IONS FEATURE_ID=1452 PEPMASS=103.0055 SCANS=1452 RTINSECONDS=138.597 CHARGE=1- MSLEVEL=2 838.1817 1.4E2 END IONS BEGIN IONS FEATURE_ID=1483 PEPMASS=479.1224 SCANS=1483 RTINSECONDS=136.999 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 81.0323 1.4E2 85.0305 1.3E2 87.0094 6.5E2 93.0367 5.6E2 93.0417 2.5E2 94.0382 1.5E2 97.0286 1.7E2 101.0253 2.1E2 111.0436 4.2E2 121.0325 2.8E2 122.0568 1.0E2 123.0427 1.1E2 128.0361 2.1E2 135.0460 2.7E2 136.0409 1.6E2 137.0234 2.9E2 139.0366 2.1E2 143.0675 1.1E2 147.0426 1.1E2 150.0572 1.7E2 151.0372 2.8E2 154.0890 1.3E2 155.0296 2.7E2 155.0345 4.4E2 156.0275 1.2E2 161.0244 3.7E2 161.0588 2.1E2 163.0400 1.8E2 171.0255 1.3E2 173.0464 2.0E3 174.0486 1.3E2 177.0469 1.4E2 179.0385 6.0E2 180.0310 1.1E2 187.0374 2.3E2 187.0727 1.4E2 187.0775 2.5E2 188.0497 1.1E2 189.0554 5.8E2 191.0564 1.3E4 191.1283 1.8E2 192.0524 5.6E2 192.0570 3.9E2 192.0626 8.8E2 193.0679 1.1E2 199.0767 1.3E2 201.0556 1.9E2 203.0684 3.1E2 230.0571 1.1E2 231.0674 1.8E2 243.0709 1.3E2 245.0371 1.7E2 245.0746 1.2E2 257.0463 1.4E2 257.0521 1.4E2 261.0773 1.6E3 262.0757 5.4E2 262.1189 1.2E2 263.0606 1.0E2 267.0793 2.4E2 270.0593 2.7E2 283.0693 1.3E2 287.0508 2.8E2 287.0647 1.1E2 305.0626 1.5E2 305.0714 7.3E2 306.0670 1.2E2 330.0795 1.3E2 353.0825 6.0E2 353.0932 6.3E2 354.0895 1.3E2 356.0794 1.6E2 365.0824 1.8E2 445.1569 1.5E2 479.1221 5.6E3 480.1233 1.8E3 480.2579 2.7E2 481.1288 8.0E2 481.2158 1.0E2 482.1333 2.1E2 END IONS BEGIN IONS FEATURE_ID=1512 PEPMASS=295.0262 SCANS=1512 RTINSECONDS=138.597 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9946 5.5E2 75.0134 2.1E2 78.9602 5.0E3 96.9710 1.1E3 117.0239 1.8E2 134.0374 1.4E2 569.8750 1.3E2 997.9031 1.1E2 END IONS BEGIN IONS FEATURE_ID=1527 PEPMASS=232.0843 SCANS=1527 RTINSECONDS=138.597 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0362 1.1E2 100.0759 2.8E2 109.0283 1.2E2 123.0408 1.1E2 127.0296 1.4E2 135.0410 1.8E2 END IONS BEGIN IONS FEATURE_ID=1528 PEPMASS=377.0892 SCANS=1528 RTINSECONDS=139.24 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0148 1.4E2 89.0301 4.0E2 113.0282 1.1E2 142.2762 1.9E2 158.0413 2.8E2 179.0459 2.8E2 181.0552 3.7E2 215.0785 1.3E2 341.1121 5.0E2 END IONS BEGIN IONS FEATURE_ID=1622 PEPMASS=450.1922 SCANS=1622 RTINSECONDS=142.322 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 98.9643 2.1E2 101.0264 1.1E3 102.0259 2.5E2 119.0335 2.3E2 173.0574 2.0E2 177.0779 5.8E3 177.1715 1.4E2 178.0791 8.4E2 451.2061 1.1E2 END IONS BEGIN IONS FEATURE_ID=1671 PEPMASS=323.1367 SCANS=1671 RTINSECONDS=144.454 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0146 1.1E3 72.9892 2.9E2 89.0248 1.7E3 89.0617 2.0E2 96.9701 2.5E2 101.0233 4.0E2 106.0307 1.4E2 113.0311 3.4E2 119.0361 3.1E2 119.0890 2.0E2 175.7701 1.5E2 203.1217 1.0E2 239.0263 2.9E2 END IONS BEGIN IONS FEATURE_ID=1702 PEPMASS=215.0336 SCANS=1702 RTINSECONDS=145.961 CHARGE=1- MSLEVEL=2 626.8754 2.5E2 END IONS BEGIN IONS FEATURE_ID=1718 PEPMASS=315.0757 SCANS=1718 RTINSECONDS=150.024 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 72.9905 1.2E2 79.9575 3.0E2 80.9659 7.6E2 87.0666 2.0E2 91.0175 2.3E2 107.0164 1.5E2 108.0226 8.5E3 108.1180 3.3E2 108.3249 1.8E2 108.8692 1.2E2 109.0291 3.7E3 109.0936 1.4E2 109.1238 1.1E2 110.0378 2.2E2 110.7885 1.3E2 110.9845 2.5E2 121.0294 2.4E2 123.0435 1.2E2 134.9789 2.7E2 135.0200 1.0E2 136.9744 2.5E2 141.0542 2.7E2 152.0116 8.0E2 152.0172 2.8E2 153.0141 1.8E2 153.0192 2.9E2 164.9876 1.9E2 820.3834 1.4E2 END IONS BEGIN IONS FEATURE_ID=1740 PEPMASS=385.1161 SCANS=1740 RTINSECONDS=148.32 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 6 (0 removed due to low quality, 0 removed due to low cosine). 60.0179 2.1E2 69.0381 2.1E2 70.0685 1.8E2 71.0148 1.2E2 73.0290 1.7E2 83.0161 2.4E2 84.0124 1.1E2 85.0299 3.1E3 85.0892 1.0E2 86.0344 3.8E2 87.0053 1.1E2 87.0105 3.5E2 93.0353 1.5E3 94.9813 2.8E2 97.0297 1.5E2 98.0273 1.5E2 99.0445 3.1E2 100.0518 1.4E2 108.0504 1.0E2 109.0338 1.7E2 110.0580 1.5E2 111.0180 2.7E2 111.0412 1.2E2 111.0461 1.9E2 111.0531 1.3E2 111.7077 2.1E2 125.0227 1.2E2 127.0345 1.5E2 127.0392 6.2E2 128.0348 1.4E2 128.0396 1.6E2 130.0824 1.3E2 133.0287 2.2E2 135.0432 1.1E3 135.0490 1.6E2 137.1163 1.5E2 138.0533 1.8E2 151.0375 2.1E2 155.0393 3.3E2 161.0150 1.2E2 161.0229 1.2E3 164.0496 1.3E2 166.0544 1.4E2 171.0244 2.2E2 171.0386 1.5E2 173.0429 7.7E2 179.0332 2.3E2 179.0469 1.3E2 179.0762 2.7E2 180.0977 2.9E2 181.0953 2.6E2 182.0424 1.9E2 187.9715 1.0E2 191.0562 3.9E4 191.6065 1.9E2 191.6813 1.2E2 191.7588 1.0E2 192.0566 1.1E3 192.0615 1.3E3 192.0675 1.6E2 193.0504 3.0E2 193.0600 2.6E2 193.6678 1.2E2 194.0857 2.5E2 200.0552 1.4E2 213.1045 1.4E2 223.0560 2.5E2 235.0010 1.1E2 262.0801 1.6E2 309.1021 1.3E2 325.1650 1.1E2 341.1188 2.3E2 350.8821 1.2E2 353.0884 1.2E2 353.1154 2.2E2 360.5764 1.2E2 386.1516 2.1E2 388.1135 1.0E2 556.5175 1.0E2 921.9794 1.7E2 END IONS BEGIN IONS FEATURE_ID=1746 PEPMASS=353.0895 SCANS=1746 RTINSECONDS=148.579 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 81.0330 2.5E2 85.0310 1.6E3 85.1168 1.0E2 86.0313 1.2E2 87.0098 2.7E2 93.0345 4.1E2 101.0234 1.2E2 109.0280 4.9E2 111.0496 1.0E2 112.0495 1.5E2 127.0387 1.6E2 134.0412 1.7E2 135.0438 1.2E3 136.0470 1.2E2 137.0235 1.8E2 161.0271 1.5E2 174.9381 1.6E2 191.0572 3.3E3 192.0567 6.6E2 192.0968 1.6E2 395.2930 1.0E2 END IONS BEGIN IONS FEATURE_ID=1856 PEPMASS=290.0894 SCANS=1856 RTINSECONDS=152.92 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 70.0305 2.3E2 83.0150 1.4E2 84.0224 1.7E2 84.0505 3.1E2 85.0662 3.2E2 101.0241 3.0E2 119.0395 1.4E2 128.0355 5.4E3 128.1372 2.4E2 129.0367 2.9E2 129.0465 1.8E2 130.0362 1.8E2 130.0869 1.7E3 131.0708 2.0E2 131.0777 7.4E2 161.1171 1.0E2 168.0632 1.8E2 200.0569 3.7E2 202.1268 1.3E2 230.0397 2.1E2 292.0020 1.0E2 293.1194 2.4E2 436.3569 1.0E2 END IONS BEGIN IONS FEATURE_ID=1882 PEPMASS=437.1256 SCANS=1882 RTINSECONDS=153.307 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 122.0573 1.5E2 191.0621 1.5E2 END IONS BEGIN IONS FEATURE_ID=1928 PEPMASS=553.2105 SCANS=1928 RTINSECONDS=155.5 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0246 3.2E2 101.0243 2.5E2 152.0806 1.2E2 153.0980 1.3E2 206.1320 1.3E2 END IONS BEGIN IONS FEATURE_ID=1968 PEPMASS=161.0828 SCANS=1968 RTINSECONDS=159.853 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0532 4.4E2 72.0631 1.2E2 99.0482 3.8E2 161.0844 1.3E2 164.8342 1.1E2 END IONS BEGIN IONS FEATURE_ID=2029 PEPMASS=219.0880 SCANS=2029 RTINSECONDS=164.281 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.0217 1.7E2 71.0519 1.3E2 74.0298 2.4E2 409.8079 1.1E2 END IONS BEGIN IONS FEATURE_ID=2033 PEPMASS=195.8113 SCANS=2033 RTINSECONDS=164.092 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0356 2.6E2 79.9568 1.2E2 80.9668 1.8E2 82.0339 2.0E2 83.0165 1.5E2 94.0297 1.8E2 105.0323 1.4E2 158.8468 2.2E2 160.8425 6.4E3 162.0924 1.2E2 162.8394 4.5E3 162.9570 2.2E2 163.1428 2.0E2 163.4308 1.1E2 164.8350 1.8E2 195.8094 2.0E2 197.8051 3.7E2 198.9299 1.0E2 END IONS BEGIN IONS FEATURE_ID=2104 PEPMASS=421.1640 SCANS=2104 RTINSECONDS=166.483 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 128.0719 1.6E2 165.0503 1.9E2 191.0556 1.5E2 223.0601 2.5E2 247.1750 1.4E2 421.0607 1.8E2 421.1808 1.3E2 422.0649 3.6E2 422.1494 1.3E2 423.0615 1.5E2 423.1635 1.9E2 END IONS BEGIN IONS FEATURE_ID=2127 PEPMASS=707.1844 SCANS=2127 RTINSECONDS=168.671 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 85.0338 1.1E2 135.0446 3.0E2 161.0169 2.5E2 173.0403 2.3E2 174.0460 1.3E2 179.0331 5.0E2 179.0422 1.8E2 180.0314 2.6E2 191.0564 2.1E4 191.6540 1.7E2 191.7717 1.1E2 191.7870 1.0E2 191.8829 1.1E2 192.0575 2.7E3 192.1243 1.4E2 192.1849 1.1E2 193.0588 2.3E2 193.0633 1.4E2 287.1191 1.0E2 322.0338 1.5E2 324.0584 1.4E2 342.0683 1.1E2 351.0679 1.6E2 351.4231 1.4E2 353.0902 6.0E3 354.0958 1.3E3 422.2414 1.9E2 708.3795 1.2E2 END IONS BEGIN IONS FEATURE_ID=2138 PEPMASS=411.0492 SCANS=2138 RTINSECONDS=171.268 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0230 1.9E2 71.0121 1.1E2 85.0305 6.5E2 89.0258 1.5E2 101.0266 1.1E2 127.0525 1.3E2 129.0328 1.3E2 134.0352 4.1E2 135.0452 1.0E3 136.0539 1.2E2 137.0562 1.2E2 157.0476 4.1E2 158.0290 1.0E2 161.0234 4.3E2 170.9887 1.7E2 173.0487 2.6E2 177.0543 1.2E2 179.0411 4.5E2 180.0383 3.5E2 190.9773 2.0E2 191.0542 1.6E3 192.0584 1.3E2 193.0575 1.7E2 201.0205 5.7E2 201.0675 1.2E2 211.3116 1.3E2 332.0870 1.3E2 358.0737 1.7E2 377.0768 1.3E2 579.4074 2.5E2 640.8579 1.2E2 END IONS BEGIN IONS FEATURE_ID=2194 PEPMASS=191.0566 SCANS=2194 RTINSECONDS=175.382 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 65.0422 2.4E2 85.0285 3.1E2 87.0078 1.7E2 END IONS BEGIN IONS FEATURE_ID=2214 PEPMASS=705.1700 SCANS=2214 RTINSECONDS=175.652 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 60.9928 2.0E2 71.0163 1.8E2 85.0282 6.7E2 87.0086 2.8E2 87.0129 2.0E2 93.0338 5.4E2 93.0395 3.3E2 93.1484 1.6E2 99.0105 1.2E2 100.0121 1.1E2 105.0341 1.8E2 109.0266 9.3E2 109.0320 1.4E2 109.0472 1.0E2 111.0451 1.3E2 112.0517 1.1E2 115.0035 1.0E2 127.0361 2.9E2 127.0403 1.8E2 132.0199 1.1E2 133.0299 2.8E3 133.0541 3.4E2 134.0324 1.9E2 134.0429 1.3E2 135.0446 1.2E3 136.0500 2.2E2 139.0425 1.2E2 151.0402 2.3E2 152.0447 1.4E2 155.0309 2.0E2 157.0416 1.1E2 161.0193 2.5E2 161.0240 9.3E2 172.8915 2.3E2 173.0415 6.7E2 173.0467 3.5E3 173.0833 2.6E2 173.1026 1.1E2 174.0490 1.3E2 177.0115 2.3E2 177.0206 3.1E3 177.1410 1.3E2 178.0178 1.2E2 178.0287 4.0E2 179.0372 1.5E3 179.2307 2.5E2 180.0390 1.7E2 189.0932 1.3E2 191.0562 7.1E4 192.0591 4.6E3 192.0628 9.4E2 192.1098 1.2E2 192.1421 1.3E2 192.1506 1.3E2 192.1822 1.1E2 192.1896 1.1E2 192.1969 1.5E2 192.5345 1.1E2 193.0564 1.7E2 215.0557 4.9E3 215.0994 1.8E2 216.0531 2.2E2 216.0601 3.4E2 221.0854 1.1E2 229.0128 5.3E2 243.0666 1.4E2 264.1797 1.1E2 265.0563 1.8E2 277.0526 2.8E2 280.0292 1.0E2 286.1972 1.3E2 293.0436 2.3E2 295.0580 1.7E2 307.0814 9.4E2 321.0339 1.8E2 321.0423 5.2E2 321.0488 1.5E2 321.0594 1.7E2 322.0437 1.6E2 322.0631 1.3E2 323.0598 1.4E2 339.0359 1.0E2 339.0464 1.3E2 339.0552 1.4E2 340.0419 3.1E2 351.0738 7.3E3 351.2545 1.4E2 352.0778 1.3E3 352.1464 1.4E2 353.0787 3.6E2 353.0901 1.6E4 353.0974 3.3E2 353.7486 1.9E2 354.0928 3.1E3 354.2748 1.3E2 355.0906 1.3E2 357.0514 1.5E2 463.0353 1.3E2 464.0966 1.2E2 508.9991 1.3E2 510.2097 1.1E2 513.1036 5.7E2 513.1076 1.0E2 514.0922 2.3E2 514.1166 4.2E2 515.1043 1.1E2 533.1280 1.1E2 547.0712 1.7E2 575.3289 1.3E2 585.2408 1.2E2 705.1725 6.3E2 706.1693 1.7E2 707.1819 5.2E2 707.2339 1.3E2 708.2008 1.8E2 786.5064 1.2E2 END IONS BEGIN IONS FEATURE_ID=2215 PEPMASS=707.1846 SCANS=2215 RTINSECONDS=175.652 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 85.0313 1.1E2 87.0058 1.2E2 93.0358 2.5E2 113.0251 2.6E2 116.9290 2.3E2 127.0426 1.7E2 128.0347 2.6E2 135.0477 1.6E2 161.0167 1.7E2 161.0266 1.3E2 173.0453 5.2E2 173.0503 1.2E2 174.0369 2.4E2 175.0445 1.4E2 177.0075 1.1E2 191.0563 3.5E4 191.8083 1.8E2 192.0571 3.6E3 192.0920 3.1E2 192.1238 1.6E2 192.1708 1.3E2 192.9597 1.2E2 193.0581 3.7E2 193.0636 4.5E2 195.7725 1.1E2 217.0666 1.8E2 303.0856 2.3E2 306.0382 2.0E2 313.0783 1.1E2 322.0382 1.5E2 351.1012 1.3E2 352.0662 1.5E2 353.0792 2.5E2 353.0873 4.3E3 353.1138 1.5E2 353.1761 3.6E2 354.0945 7.2E2 355.0953 1.6E2 515.1100 1.1E2 588.8029 1.1E2 615.6121 1.0E2 707.1827 2.7E2 708.2001 1.1E2 798.2291 1.3E2 END IONS BEGIN IONS FEATURE_ID=2228 PEPMASS=351.0737 SCANS=2228 RTINSECONDS=177.553 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 60.0179 2.2E2 60.9937 7.4E2 63.0273 1.4E2 67.0202 2.7E3 67.0486 1.6E2 67.0596 1.1E2 69.0346 9.8E2 70.0358 3.1E2 71.0143 3.3E3 71.0500 3.6E2 71.0765 1.6E2 73.0307 8.9E2 77.0421 1.5E3 78.9186 1.0E2 79.0568 5.2E2 80.2147 1.1E2 81.0371 1.3E3 81.0627 1.8E2 83.0157 2.8E2 83.0475 1.2E2 83.0522 7.9E2 84.0579 1.2E2 84.7104 1.0E2 85.0308 3.0E4 85.5689 1.0E2 86.0338 1.0E3 86.4978 1.1E2 87.0099 9.3E3 87.0957 2.0E2 88.0139 4.8E2 89.0172 1.5E2 89.0346 1.1E2 89.0392 1.1E2 89.9120 1.1E2 93.0355 2.0E4 93.0671 3.2E2 93.1255 2.2E2 93.9584 1.2E2 94.0358 1.4E2 94.0407 4.7E2 94.1416 1.1E2 94.9819 2.7E2 96.0231 2.0E2 97.0297 7.8E2 99.0106 5.4E2 99.0467 1.6E3 101.0207 1.1E2 101.0300 1.2E2 105.0365 1.5E3 106.0361 2.9E2 106.0606 1.3E2 107.0481 1.1E3 108.0226 2.7E2 109.0298 1.9E3 109.0556 1.7E2 111.0064 5.0E2 111.0455 4.4E3 111.1094 1.1E2 111.1183 1.2E2 111.1419 1.1E2 112.0455 1.5E2 113.0255 6.3E2 121.0260 1.1E2 123.0437 2.0E2 125.5524 1.6E2 127.0401 7.5E3 128.0440 4.7E2 129.0537 1.8E2 129.8950 1.3E2 133.0289 8.8E3 133.0949 1.4E2 133.1371 2.3E2 134.0323 7.5E2 134.0366 1.7E3 134.1411 1.3E2 135.0439 1.1E3 135.0453 1.9E4 135.5276 1.3E2 136.0479 1.4E3 136.1547 1.6E2 137.0222 1.1E3 137.0277 7.2E2 138.0188 1.5E2 141.5099 1.4E2 143.0309 5.0E2 145.0493 3.8E2 147.9299 2.2E2 150.0318 1.9E2 151.0399 3.2E2 153.0174 5.8E2 155.0355 1.8E3 156.0417 1.2E2 159.0414 2.7E2 161.0246 6.0E3 161.0817 1.5E2 161.0873 2.0E2 161.1455 1.1E2 162.0186 3.8E2 162.0301 1.9E2 162.0836 2.8E2 171.0305 2.2E3 171.0379 1.9E2 171.0765 1.2E2 171.2300 1.1E2 171.6793 1.2E2 173.0443 2.2E4 173.1174 1.6E2 173.1659 9.2E2 173.6422 1.0E2 173.8798 1.2E2 174.0476 1.2E3 174.0552 1.4E2 177.0201 1.3E3 178.0185 2.2E2 178.0245 1.8E2 179.0344 1.6E4 179.6422 1.1E2 179.6480 1.0E2 180.0392 1.3E3 180.1424 1.5E2 187.0363 1.3E2 187.2488 1.2E2 189.2853 1.2E2 189.3060 1.6E2 189.3129 1.1E2 189.3961 1.7E2 189.4072 2.2E2 189.5997 1.1E2 189.6881 1.4E2 189.7862 1.2E2 189.8302 1.1E2 190.5198 1.1E2 190.5847 1.6E2 190.8912 1.1E2 190.9139 2.4E2 190.9778 1.1E2 190.9971 1.1E2 191.0555 2.7E5 191.1808 1.5E4 191.6910 2.2E2 191.7023 3.8E2 191.7576 4.5E2 191.7861 1.3E2 191.7959 2.8E2 191.8542 2.5E2 191.9012 2.5E2 191.9534 1.7E2 192.0593 1.7E4 192.1218 3.7E2 192.1304 1.4E2 192.1694 1.6E2 192.1971 6.5E2 192.2223 2.9E2 192.2623 3.7E2 192.2843 1.5E2 192.3378 1.5E2 192.3631 2.3E2 192.4065 2.8E2 192.4451 2.0E2 192.5444 1.4E2 192.5776 1.8E2 192.5963 2.0E2 192.6447 1.9E2 192.7127 1.2E2 192.7169 1.6E2 192.8551 1.2E2 192.8734 1.4E2 192.9007 1.4E2 192.9533 1.0E2 193.0555 6.4E2 193.0634 8.0E2 193.0732 1.5E2 193.0959 1.5E2 193.1859 1.1E2 193.2269 1.6E2 193.2905 1.0E2 193.4823 1.2E2 193.7512 1.2E2 193.7988 1.1E2 193.9146 1.0E2 194.3996 1.1E2 195.1214 1.0E2 199.0688 1.5E2 205.0412 1.7E2 215.0523 1.9E2 215.0623 3.9E2 216.0542 2.9E2 217.0530 1.0E2 224.5910 1.0E2 225.8887 1.1E2 231.0756 1.1E2 238.3855 1.2E2 293.1181 1.2E2 307.0764 1.3E2 351.0959 1.6E2 353.0957 3.6E2 633.4402 1.6E2 END IONS BEGIN IONS FEATURE_ID=2229 PEPMASS=353.0882 SCANS=2229 RTINSECONDS=177.553 CHARGE=1- MSLEVEL=2 MERGED_STATS=8 / 8 (0 removed due to low quality, 0 removed due to low cosine). 60.9909 3.5E2 67.0183 7.5E2 67.0225 3.1E2 67.0454 1.3E2 69.0305 1.7E2 69.0351 4.2E2 71.0143 9.3E2 71.0334 1.4E2 73.0298 4.4E2 73.9942 2.1E2 81.0361 3.4E2 82.0398 2.6E2 83.0155 1.3E2 83.0461 3.0E2 83.0523 1.2E3 83.0632 1.2E2 85.0305 1.4E4 86.0328 5.4E2 87.0106 3.9E3 88.0104 3.8E2 91.0540 1.7E2 93.0358 6.0E3 93.0614 2.5E2 93.1257 2.3E2 94.0371 6.6E2 97.0287 3.9E2 98.0180 1.5E2 99.0457 1.0E3 101.0228 1.5E2 109.0300 1.5E3 111.0107 3.3E2 111.0452 2.2E3 113.0235 1.4E2 113.0281 1.0E2 127.0363 1.2E3 127.0411 2.7E3 127.0744 1.2E2 127.0806 1.3E2 128.0406 3.0E2 128.0799 1.4E2 129.0152 2.5E2 132.0223 3.1E2 133.0293 7.3E2 134.0343 5.8E2 134.0970 1.0E2 135.0450 5.3E3 135.1557 1.1E2 136.0445 2.4E2 136.0510 1.0E2 137.0193 1.3E2 143.0295 1.3E2 153.0011 1.4E2 153.0265 3.2E2 155.0327 4.3E2 156.0390 1.5E2 161.0243 1.6E3 161.0288 7.4E2 162.0269 2.9E2 171.0281 1.2E2 171.0313 6.7E2 171.0387 1.4E2 173.0402 3.3E2 173.0453 4.1E3 173.0497 4.0E2 173.0866 2.9E2 174.0520 3.4E2 175.0378 1.8E2 179.0233 1.5E2 179.0294 2.5E2 179.0343 3.4E3 179.0874 2.4E2 179.1016 1.1E2 180.0454 1.8E2 187.0357 1.2E2 189.2638 1.1E2 189.3371 1.3E2 189.7601 1.1E2 191.0553 1.5E5 191.1823 2.0E3 191.6934 1.5E2 191.7468 2.0E2 191.8011 1.7E2 191.8231 1.3E2 191.8988 1.5E2 191.9462 1.2E2 192.0115 1.3E2 192.0598 1.4E4 192.1024 1.2E2 192.1175 1.5E2 192.1620 1.2E2 192.1842 1.3E2 192.2486 1.1E2 192.3677 1.3E2 192.4796 1.4E2 192.5867 1.0E2 192.6334 1.5E2 193.0251 1.3E2 193.0623 2.9E3 193.0957 1.2E2 193.2309 1.1E2 193.2650 1.0E2 193.7239 1.2E2 194.0569 3.6E2 194.0685 1.5E2 194.2368 1.0E2 194.4639 1.6E2 195.5442 1.3E2 252.9344 1.1E2 353.0876 1.0E2 385.0672 1.2E2 454.6277 1.3E2 END IONS BEGIN IONS FEATURE_ID=2252 PEPMASS=727.1525 SCANS=2252 RTINSECONDS=177.922 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 71.0133 2.0E2 87.0082 3.2E2 93.0317 1.6E2 109.0274 1.6E2 111.0398 1.0E2 113.0249 2.0E2 127.0381 1.4E2 129.0184 1.1E2 133.0285 2.7E2 134.0363 1.3E2 135.0469 1.8E2 147.0422 1.3E2 161.0203 1.9E2 161.0273 5.7E2 162.0303 2.4E2 168.1438 1.8E2 171.0262 2.1E2 173.0437 3.9E2 173.0704 1.2E2 179.0350 3.1E3 179.0771 1.1E2 179.1568 1.5E2 181.0220 1.8E2 191.0554 3.7E3 191.1748 1.8E2 192.0654 2.7E2 201.0187 1.1E3 201.0809 1.1E2 215.0546 1.3E2 215.0590 2.7E2 229.0538 1.5E2 321.0497 1.3E2 322.0335 1.4E2 339.0630 1.2E2 351.0726 2.4E2 351.0823 1.2E2 352.0784 2.0E2 353.0883 4.2E2 354.1047 1.0E2 354.5177 1.5E2 372.1429 1.2E2 374.0629 3.0E2 375.0716 3.3E4 375.9949 2.1E2 376.0732 5.3E3 376.1824 2.0E2 376.2482 1.9E2 376.2675 1.8E2 376.3146 1.4E2 376.3639 1.1E2 376.6178 2.1E2 376.7992 1.1E2 377.0722 7.4E2 377.1124 1.2E2 377.1511 1.4E2 378.0820 1.0E2 513.1082 1.0E2 549.1066 1.5E2 565.1129 2.6E2 566.1433 1.1E2 567.1364 6.3E2 721.3399 1.0E2 727.1505 1.3E3 728.1515 7.9E2 728.2915 1.0E2 729.1645 4.6E3 729.4861 1.5E2 730.1715 1.8E3 730.3590 1.8E2 730.5022 1.4E2 731.1500 2.9E2 878.6263 1.1E2 END IONS BEGIN IONS FEATURE_ID=2253 PEPMASS=729.1677 SCANS=2253 RTINSECONDS=177.922 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 5 (0 removed due to low quality, 1 removed due to low cosine). 86.0206 1.9E2 87.0120 2.4E2 93.0344 1.8E2 132.7542 1.1E2 134.0382 1.2E2 135.0410 2.4E2 135.0451 1.6E2 157.0268 1.1E2 161.0250 5.0E2 161.0291 1.5E2 175.0395 1.9E2 175.0539 1.1E2 179.0349 1.1E3 180.0422 2.1E2 191.0542 9.9E2 191.0590 1.7E3 192.0545 1.1E2 201.0179 1.3E3 204.0760 1.0E2 215.0624 2.9E2 215.0812 1.2E2 271.1030 1.1E2 287.0949 1.1E2 340.0583 1.1E2 351.0761 2.3E2 353.0881 7.6E2 354.0915 1.5E2 370.9578 1.1E2 375.0705 2.4E4 375.8011 1.1E2 376.0739 4.4E3 376.2223 1.3E2 376.3150 1.2E2 377.0738 1.3E3 378.6145 1.2E2 389.9644 1.0E2 405.0949 1.6E2 406.4126 1.2E2 537.0942 1.2E2 567.1164 2.1E2 567.1306 8.8E2 568.1231 1.6E2 568.1547 1.0E2 569.1063 1.2E2 610.2660 1.3E2 702.1292 1.1E2 729.1661 2.6E3 729.2848 1.7E2 729.3094 1.1E2 730.1667 7.5E2 730.2523 1.3E2 731.1659 2.4E2 731.1879 1.3E2 732.1707 1.5E2 END IONS BEGIN IONS FEATURE_ID=2319 PEPMASS=215.0339 SCANS=2319 RTINSECONDS=187.276 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 111.3557 2.3E2 147.8034 1.1E2 752.5589 2.2E2 END IONS BEGIN IONS FEATURE_ID=2334 PEPMASS=411.0484 SCANS=2334 RTINSECONDS=187.276 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0473 1.7E2 85.0269 2.2E2 93.0344 2.1E2 111.0474 2.8E2 127.0345 2.3E2 133.0317 3.5E2 134.0359 4.3E2 135.0450 7.6E2 136.9779 1.3E2 139.0319 1.7E2 157.0277 5.6E2 161.0254 7.8E2 161.0769 1.1E2 162.0375 1.4E2 169.0709 1.9E2 173.0498 1.6E2 174.0438 1.1E2 179.0386 4.3E2 191.0593 1.8E3 191.1870 1.1E2 192.0600 4.7E2 201.0175 9.5E2 215.0325 2.4E2 221.0953 1.0E2 375.0660 1.8E2 904.6773 1.5E2 END IONS BEGIN IONS FEATURE_ID=2354 PEPMASS=490.1859 SCANS=2354 RTINSECONDS=190.368 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 115.0760 2.7E2 219.0841 3.2E2 220.0857 1.6E2 304.1132 1.1E2 355.4335 1.7E2 376.0825 2.2E2 END IONS BEGIN IONS FEATURE_ID=2363 PEPMASS=351.0745 SCANS=2363 RTINSECONDS=191.867 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 60.9930 3.3E2 67.0204 7.8E2 69.0376 2.0E2 71.0146 1.1E3 71.0544 1.8E2 71.0985 1.1E2 73.0283 8.0E2 77.0393 1.1E2 81.0337 5.1E2 83.0502 6.2E2 85.0291 7.5E3 85.9639 1.1E2 87.0095 1.4E3 87.0540 1.1E2 89.0248 1.0E2 93.0351 3.7E3 93.0400 6.6E2 93.1230 1.8E2 94.0380 4.2E2 94.0700 1.3E2 99.0509 1.8E2 105.0342 6.8E2 107.0499 3.3E2 109.0280 5.9E2 109.0534 1.3E2 111.0445 1.9E3 111.0972 1.2E2 115.0361 1.1E2 116.0604 1.1E2 127.0386 1.5E3 133.0303 2.1E3 133.0608 1.5E2 133.9504 1.1E2 134.0361 3.5E2 135.0443 4.2E3 135.1525 1.6E2 135.4165 1.0E2 136.0437 2.0E2 137.0214 2.5E2 137.0495 1.2E2 150.0259 1.1E2 151.0262 2.0E2 154.0533 1.8E2 161.0235 1.5E3 162.0518 1.3E2 171.0268 5.1E2 173.0428 5.7E3 173.1060 1.8E2 174.0466 1.1E2 175.0232 1.6E2 175.0429 1.8E2 177.0185 8.2E2 179.0322 3.3E3 179.1509 1.3E2 179.2278 1.3E2 180.0322 1.4E2 180.0388 2.8E2 181.9506 1.9E2 189.3271 1.8E2 191.0542 6.7E4 191.7540 1.0E2 191.8309 1.3E2 191.8970 2.2E2 192.0572 4.6E3 192.1722 3.2E2 192.1862 1.6E2 192.2235 1.7E2 192.2850 1.3E2 192.4774 1.1E2 192.7161 1.4E2 192.7709 1.0E2 192.9709 1.1E2 193.0585 2.0E2 193.5692 1.4E2 215.0585 1.8E2 253.0649 1.4E2 254.8944 2.0E2 300.3721 1.2E2 335.0742 1.3E2 353.0905 1.6E2 431.9404 1.2E2 END IONS BEGIN IONS FEATURE_ID=2364 PEPMASS=353.0881 SCANS=2364 RTINSECONDS=191.867 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0175 2.0E2 85.0296 1.7E3 93.0365 7.7E2 99.0089 2.1E2 99.0484 1.3E2 109.0314 1.6E2 111.0518 2.4E2 127.0361 3.0E2 133.0268 3.2E2 135.0425 2.0E2 179.0384 1.1E2 191.0565 3.2E3 191.4429 1.2E2 192.0621 2.3E2 221.0285 1.3E2 397.1121 2.6E2 END IONS BEGIN IONS FEATURE_ID=2376 PEPMASS=707.1837 SCANS=2376 RTINSECONDS=191.867 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 180.0394 1.9E2 185.7340 1.0E2 191.0568 2.3E3 191.1204 2.5E2 192.0776 1.1E2 193.0605 1.8E2 269.0820 1.3E2 310.0879 1.3E2 313.0577 1.0E2 350.3772 1.0E2 353.0857 2.0E3 354.0943 6.2E2 354.1555 1.9E2 355.0914 1.5E2 707.1885 1.5E2 708.1794 1.1E2 END IONS BEGIN IONS FEATURE_ID=2397 PEPMASS=195.8105 SCANS=2397 RTINSECONDS=196.392 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0364 1.5E2 160.8418 4.8E2 162.8386 2.3E2 END IONS BEGIN IONS FEATURE_ID=2423 PEPMASS=290.0907 SCANS=2423 RTINSECONDS=203.502 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0505 2.3E2 84.0472 1.3E2 115.0762 2.7E2 119.0472 1.2E2 128.0338 9.8E2 128.0711 1.4E2 332.6523 1.0E2 END IONS BEGIN IONS FEATURE_ID=2435 PEPMASS=191.0557 SCANS=2435 RTINSECONDS=205.98 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0276 2.4E2 85.0313 1.9E2 87.0096 1.9E2 94.0417 1.6E2 121.0307 1.3E2 127.0380 1.6E2 148.9736 1.4E2 158.8479 3.8E2 171.7679 1.7E2 191.0509 5.4E2 192.0555 2.7E2 END IONS BEGIN IONS FEATURE_ID=2449 PEPMASS=353.0895 SCANS=2449 RTINSECONDS=207.933 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 85.0273 1.2E2 133.0444 1.6E2 135.0432 1.1E2 137.0238 2.5E2 139.2018 1.4E2 161.0213 5.0E2 164.0362 1.0E2 173.0466 4.5E2 174.0513 1.1E2 179.0408 2.9E2 191.0547 8.6E3 191.7600 1.2E2 192.0575 5.9E2 193.0550 2.2E2 194.0426 1.1E2 195.8689 1.4E2 219.0305 1.3E2 265.0797 1.2E2 291.1120 1.1E2 336.0843 1.5E2 338.0304 1.0E2 355.1705 1.7E2 END IONS BEGIN IONS FEATURE_ID=2473 PEPMASS=351.0758 SCANS=2473 RTINSECONDS=212.83 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 60.9907 1.2E2 61.9998 1.8E2 65.0387 1.2E2 66.0350 3.3E2 67.0180 7.9E2 67.6039 1.0E2 71.0142 6.1E2 73.0292 1.8E2 77.0409 7.5E2 81.0332 1.8E2 83.0523 2.3E2 85.0294 5.7E3 85.1152 2.3E2 86.0338 3.3E2 87.0089 7.5E2 87.0384 2.5E2 93.0340 2.5E3 93.0887 1.6E2 94.0325 1.1E3 94.0648 1.4E2 94.9831 1.2E2 95.0283 2.6E2 96.0219 1.0E2 97.0266 1.3E2 99.0081 1.8E2 99.0483 3.8E2 100.0127 2.0E2 101.0257 1.3E2 105.0326 6.9E2 107.0435 3.3E2 108.0839 2.2E2 109.0267 1.7E2 109.0322 2.1E2 111.0084 1.5E2 111.0439 4.7E2 116.9305 1.9E2 124.0365 4.1E2 126.0941 1.4E2 127.0391 2.2E3 127.1334 1.4E2 130.0607 2.2E2 133.0282 3.1E3 133.1382 1.1E2 134.0288 3.0E2 135.0429 1.6E3 136.0459 2.0E2 137.0208 4.5E2 137.0540 1.7E2 142.8693 2.2E2 148.0693 1.8E2 154.0805 1.1E2 155.0384 1.3E2 160.0682 1.5E2 161.0233 8.8E2 161.0544 1.5E2 162.0503 1.7E2 171.0270 1.6E2 173.0426 2.7E3 173.1430 1.1E2 177.0178 8.7E2 177.0722 1.0E2 179.0276 3.1E2 179.0328 9.1E2 189.0362 1.1E2 189.0485 1.1E2 191.0540 5.0E4 191.6929 2.1E2 191.7404 1.4E2 191.7672 1.6E2 191.8105 1.3E2 191.9199 1.4E2 192.0571 2.7E3 192.0996 1.8E2 192.1121 2.7E2 192.1614 1.2E2 192.1912 1.7E2 192.2734 1.5E2 192.3976 1.5E2 192.5018 1.0E2 192.7573 1.3E2 193.0593 1.7E2 201.0625 1.0E2 215.0522 2.7E2 218.9460 1.4E2 219.0358 2.4E2 263.9956 1.1E2 293.1196 1.2E2 328.9488 2.6E2 335.0733 3.2E2 335.1165 1.8E2 353.3206 1.0E2 END IONS BEGIN IONS FEATURE_ID=2482 PEPMASS=154.0869 SCANS=2482 RTINSECONDS=212.83 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9914 2.0E2 290.6927 1.3E2 END IONS BEGIN IONS FEATURE_ID=2498 PEPMASS=137.0223 SCANS=2498 RTINSECONDS=216.686 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 12 (0 removed due to low quality, 10 removed due to low cosine). 91.0161 4.6E2 92.0448 1.0E2 93.0367 3.6E3 93.0907 1.6E2 93.1269 1.6E2 94.0374 8.0E2 108.0219 1.3E2 119.0125 3.1E2 136.0183 3.6E2 137.0241 8.1E2 END IONS BEGIN IONS FEATURE_ID=2540 PEPMASS=429.1552 SCANS=2540 RTINSECONDS=219.034 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0129 2.9E2 72.9911 1.4E2 91.0565 1.1E2 165.0883 1.3E2 179.0265 1.2E2 212.0604 1.6E2 215.0084 2.3E2 221.8383 1.2E2 333.7379 1.5E2 END IONS BEGIN IONS FEATURE_ID=2632 PEPMASS=219.0869 SCANS=2632 RTINSECONDS=225.687 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 95.9504 1.7E2 119.0442 1.6E2 END IONS BEGIN IONS FEATURE_ID=2646 PEPMASS=502.2292 SCANS=2646 RTINSECONDS=225.687 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0509 1.2E2 101.0602 6.2E2 204.0628 1.3E2 END IONS BEGIN IONS FEATURE_ID=2702 PEPMASS=179.0289 SCANS=2702 RTINSECONDS=231.709 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 91.0411 1.4E2 134.0255 1.0E2 END IONS BEGIN IONS FEATURE_ID=2729 PEPMASS=365.1799 SCANS=2729 RTINSECONDS=232.412 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0180 1.6E2 85.0284 2.1E2 87.0065 2.2E2 89.0245 2.6E2 93.0366 2.9E2 101.0214 1.9E2 121.0281 3.7E2 127.0379 2.6E2 135.0467 2.7E2 137.0504 1.2E2 147.0609 1.6E2 148.0481 1.1E2 149.0211 4.2E2 157.1242 1.5E2 161.0206 1.1E3 161.0837 1.0E2 165.4156 1.6E2 179.0333 3.7E2 180.0284 1.0E2 191.0534 6.5E2 193.0206 1.3E2 203.0803 1.1E2 203.1254 9.4E2 203.1839 1.3E2 204.1238 1.5E2 205.0650 1.6E2 205.1392 1.1E2 247.1365 1.2E2 365.1788 1.9E3 365.2883 1.5E2 365.3467 1.1E2 366.1747 3.3E2 367.1095 3.8E2 368.1031 2.2E2 END IONS BEGIN IONS FEATURE_ID=2745 PEPMASS=137.0220 SCANS=2745 RTINSECONDS=234.377 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (4 removed due to low quality, 0 removed due to low cosine). 65.0393 1.1E3 65.0631 1.4E2 66.0422 3.0E2 66.0473 1.2E2 75.0229 1.4E2 93.0344 6.9E3 93.3509 2.1E2 93.6930 1.1E2 94.0382 7.8E2 137.0178 1.4E2 END IONS BEGIN IONS FEATURE_ID=2764 PEPMASS=246.0916 SCANS=2764 RTINSECONDS=236.248 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0132 2.2E2 81.0554 1.6E2 109.0154 1.9E2 114.0889 1.8E2 121.0307 1.3E2 130.0785 1.2E2 END IONS BEGIN IONS FEATURE_ID=2779 PEPMASS=397.1172 SCANS=2779 RTINSECONDS=236.815 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 76.9670 1.3E2 94.9815 1.8E2 101.0247 2.8E3 101.1171 1.6E2 102.0304 2.8E2 115.0404 3.3E2 115.0611 1.5E2 119.0495 1.3E2 134.9738 2.6E2 175.0412 3.0E2 176.0452 6.6E2 177.0780 4.5E2 178.0761 1.7E2 219.0349 2.4E3 220.0361 3.9E2 221.0311 4.9E2 311.0576 2.6E2 319.0759 2.1E2 END IONS BEGIN IONS FEATURE_ID=2798 PEPMASS=177.0165 SCANS=2798 RTINSECONDS=238.968 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 15 (0 removed due to low quality, 14 removed due to low cosine). 67.0162 1.7E2 79.0522 1.1E2 81.0347 1.1E2 89.0402 6.6E2 89.0735 1.1E2 94.0388 1.9E2 104.0242 2.3E2 106.0418 2.3E2 134.0407 2.6E2 135.0396 1.0E2 END IONS BEGIN IONS FEATURE_ID=2805 PEPMASS=337.0916 SCANS=2805 RTINSECONDS=239.43 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0242 1.0E2 87.0096 2.4E2 93.0332 1.0E3 94.0375 1.9E2 119.0491 1.8E2 129.0248 1.0E2 137.0259 1.0E2 145.0293 1.1E2 146.0300 1.7E2 153.0185 1.3E2 160.8445 3.3E2 161.0954 1.8E2 162.8336 2.1E2 163.0368 7.1E2 173.0468 9.2E2 176.0144 1.7E2 179.0350 1.2E2 191.0551 4.7E3 192.0576 3.8E2 193.0184 2.0E2 199.1463 1.5E2 221.9335 2.6E2 222.9169 1.2E2 223.9331 1.5E2 303.8710 1.4E2 END IONS BEGIN IONS FEATURE_ID=2860 PEPMASS=158.0793 SCANS=2860 RTINSECONDS=245.574 CHARGE=1- MSLEVEL=2 708.5808 1.3E2 END IONS BEGIN IONS FEATURE_ID=2880 PEPMASS=311.0771 SCANS=2880 RTINSECONDS=247.978 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 87.0088 2.0E2 93.0369 1.0E2 94.0436 2.3E2 99.0096 1.4E2 99.0200 1.0E2 119.0497 3.4E3 120.6482 1.1E2 126.0546 2.0E2 163.0974 1.1E2 END IONS BEGIN IONS FEATURE_ID=2903 PEPMASS=429.1535 SCANS=2903 RTINSECONDS=250.245 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9959 1.1E2 89.0218 1.0E2 101.0203 1.6E2 101.9505 1.1E2 113.0184 1.5E2 119.0302 2.0E2 160.9277 3.1E2 192.0204 1.8E2 230.9883 1.1E2 400.1124 1.9E2 432.0620 1.0E2 END IONS BEGIN IONS FEATURE_ID=2908 PEPMASS=492.1995 SCANS=2908 RTINSECONDS=250.245 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 177.0737 1.2E2 219.0824 5.6E2 242.1140 1.4E2 302.0622 1.5E2 428.0836 1.1E2 457.0646 1.2E2 493.2096 3.3E2 493.7789 1.7E2 END IONS BEGIN IONS FEATURE_ID=2920 PEPMASS=397.1158 SCANS=2920 RTINSECONDS=251.08 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 12 (0 removed due to low quality, 9 removed due to low cosine). 72.9949 1.4E2 73.0262 2.2E2 76.9684 2.2E2 82.7193 1.1E2 93.0361 2.5E2 94.9807 2.8E2 101.0236 4.6E3 101.1141 1.1E2 102.0279 9.4E2 115.0410 4.3E2 116.0436 1.2E2 119.0338 1.7E2 157.0283 3.9E2 163.0334 1.8E2 175.0439 1.2E3 176.0438 2.6E2 177.0718 3.0E2 177.0762 1.0E3 219.0312 7.6E3 220.0301 7.2E2 220.0369 3.9E2 221.0282 5.2E2 221.0338 4.1E2 221.4747 1.1E2 233.0581 1.1E2 250.0826 2.6E2 260.0670 1.0E2 267.0786 1.2E2 275.1195 1.8E2 293.0146 1.0E2 303.0347 1.3E2 317.0777 2.6E2 END IONS BEGIN IONS FEATURE_ID=2923 PEPMASS=365.1797 SCANS=2923 RTINSECONDS=248.673 CHARGE=1- MSLEVEL=2 87.0127 2.0E2 89.0249 8.6E2 93.0381 2.2E2 111.0442 2.5E2 113.0225 2.9E2 119.0305 3.7E2 125.0528 1.2E2 129.0164 2.5E2 135.0454 4.7E2 135.0721 1.7E2 136.0796 1.3E2 149.0277 5.7E2 157.1251 3.8E2 160.8452 1.2E2 161.0268 4.5E2 173.0442 9.8E2 179.0380 4.7E2 191.0571 1.9E3 191.1482 1.1E2 191.1878 1.0E2 192.0613 2.8E2 192.9711 1.0E2 193.0386 1.9E2 203.1314 1.8E3 204.1196 3.1E2 215.0683 1.5E2 217.1544 1.6E2 263.0919 1.7E2 316.0036 2.3E2 365.1865 2.1E3 365.3131 1.1E2 366.1958 3.1E2 367.1070 8.0E2 367.2112 1.8E2 368.0975 1.0E2 END IONS BEGIN IONS FEATURE_ID=2932 PEPMASS=131.0709 SCANS=2932 RTINSECONDS=258.077 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 69.0339 1.8E2 85.0647 6.0E2 107.0486 2.0E2 115.9154 1.2E2 235.0886 1.1E2 END IONS BEGIN IONS FEATURE_ID=2936 PEPMASS=246.0949 SCANS=2936 RTINSECONDS=253.046 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0158 2.7E2 75.0096 1.7E2 96.0082 1.4E2 109.0178 4.2E2 115.0386 1.4E2 130.0860 5.5E2 142.0857 1.8E2 144.0391 2.8E2 149.0268 1.1E2 162.0185 1.1E2 166.0806 1.7E2 173.0798 1.1E2 184.8756 1.6E2 314.8184 1.6E2 507.1873 1.3E2 END IONS BEGIN IONS FEATURE_ID=2940 PEPMASS=303.8930 SCANS=2940 RTINSECONDS=255.561 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0184 1.3E2 101.0329 2.5E2 107.0413 1.3E2 117.9059 1.2E2 120.0154 1.3E2 133.0242 1.9E2 134.0327 2.3E2 142.8726 2.6E2 144.9308 1.7E2 222.9195 1.0E3 223.9207 1.7E2 224.9197 3.0E2 END IONS BEGIN IONS FEATURE_ID=2959 PEPMASS=179.0334 SCANS=2959 RTINSECONDS=255.475 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 16 (6 removed due to low quality, 9 removed due to low cosine). 80.9591 2.2E2 89.0369 7.3E2 106.0374 2.0E2 106.0640 1.0E2 107.0479 2.0E2 134.0357 1.0E2 139.8693 1.6E2 END IONS BEGIN IONS FEATURE_ID=2993 PEPMASS=230.0999 SCANS=2993 RTINSECONDS=258.134 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.0448 1.3E2 82.0665 1.2E2 744.9460 1.2E2 END IONS BEGIN IONS FEATURE_ID=2995 PEPMASS=367.1033 SCANS=2995 RTINSECONDS=259.778 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.9926 2.2E2 67.0195 3.6E2 69.0334 3.7E2 75.0094 1.8E2 80.9622 1.3E2 83.0149 1.0E2 85.0322 1.3E2 89.0379 2.5E2 90.0464 1.2E2 93.0351 1.5E3 93.0794 1.6E2 94.0441 1.2E2 95.0395 1.5E2 97.0291 1.1E2 99.0085 1.1E2 113.0198 1.1E2 119.0523 1.9E2 134.0413 1.3E3 134.1401 1.0E2 135.0456 2.9E2 149.0616 1.1E2 161.0223 2.0E2 191.0587 6.9E2 197.0264 1.9E2 219.0276 1.4E2 234.0242 1.6E2 END IONS BEGIN IONS FEATURE_ID=3045 PEPMASS=335.0755 SCANS=3045 RTINSECONDS=267.775 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 60.9930 6.1E2 67.0187 1.9E3 67.0804 1.4E2 68.0254 1.0E2 69.0368 1.0E3 71.0141 6.5E2 72.0169 2.1E2 73.0340 1.0E2 79.0535 3.0E2 81.0363 2.2E2 83.0153 1.8E2 83.0525 5.5E2 85.0292 3.0E3 85.0576 4.4E2 85.1162 1.5E2 86.7855 1.0E2 87.0097 2.6E3 87.0923 1.6E2 93.0349 8.8E3 93.5143 2.2E2 99.0436 5.0E2 108.0233 1.1E2 109.0301 8.9E2 111.0439 7.1E2 117.0332 4.8E2 119.0504 4.4E3 119.0841 5.7E2 119.1216 2.1E2 119.1518 1.3E2 119.4358 1.1E2 120.0554 2.2E2 121.0277 1.3E2 127.0418 8.2E2 128.0408 2.4E2 129.0152 1.2E2 133.0296 5.2E2 133.0663 1.2E2 134.0452 5.8E2 135.0445 3.4E3 135.1524 2.0E2 136.0461 4.8E2 137.0476 1.6E2 145.0317 1.9E2 147.6716 1.5E2 150.0335 2.0E2 155.0273 1.2E2 163.0397 6.8E2 171.0259 2.6E2 173.0439 3.7E2 179.0382 2.2E2 181.9701 1.5E2 191.0537 6.3E3 191.1801 2.8E2 191.4732 1.4E2 192.0574 4.0E2 193.0531 1.5E2 237.0373 1.8E2 851.3643 1.2E2 END IONS BEGIN IONS FEATURE_ID=3055 PEPMASS=136.0763 SCANS=3055 RTINSECONDS=267.476 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0384 3.5E2 71.4181 2.4E2 93.0348 2.8E2 93.0634 1.1E2 134.0590 1.8E2 930.9566 1.2E2 END IONS BEGIN IONS FEATURE_ID=3057 PEPMASS=161.0808 SCANS=3057 RTINSECONDS=268.817 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0490 4.4E2 99.0464 3.8E2 119.0495 4.2E2 END IONS BEGIN IONS FEATURE_ID=3061 PEPMASS=212.0914 SCANS=3061 RTINSECONDS=269.8 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 82.0267 1.3E2 88.0172 1.4E2 98.0259 2.3E2 134.0581 2.6E2 END IONS BEGIN IONS FEATURE_ID=3095 PEPMASS=175.0949 SCANS=3095 RTINSECONDS=273.181 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0407 1.5E2 77.0416 2.5E2 89.0402 1.0E2 103.0157 1.1E2 END IONS BEGIN IONS FEATURE_ID=3113 PEPMASS=337.0922 SCANS=3113 RTINSECONDS=273.893 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 24 (0 removed due to low quality, 23 removed due to low cosine). 67.0230 1.1E2 69.0352 3.8E2 69.0588 1.1E2 71.0169 1.8E2 73.0310 1.1E2 83.0484 2.3E2 85.0320 5.8E2 87.0092 7.5E2 93.0355 1.9E3 119.0512 3.7E2 120.0603 1.1E2 129.0193 1.3E2 130.9625 1.1E2 160.8423 3.2E2 163.0344 1.6E2 173.0417 1.1E2 191.0551 9.6E2 222.9283 2.2E2 963.2009 1.4E2 END IONS BEGIN IONS FEATURE_ID=3136 PEPMASS=379.1045 SCANS=3136 RTINSECONDS=277.02 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0504 1.1E2 107.0734 1.3E2 117.0571 1.3E2 123.0458 1.0E2 149.0242 1.6E2 154.0560 1.2E2 161.0816 1.2E3 175.1279 2.1E2 203.0370 3.0E2 219.0333 8.1E2 301.1042 2.6E2 301.1632 2.0E2 303.0502 3.1E2 311.0366 1.8E2 317.0900 1.9E2 319.0974 1.1E2 343.0919 2.6E2 363.1077 1.2E3 363.1868 1.5E2 364.1030 1.2E2 379.1060 1.6E3 379.1679 3.0E2 379.2173 1.5E2 380.1020 6.3E2 380.1727 2.3E2 381.1021 1.4E2 393.0238 1.2E2 END IONS BEGIN IONS FEATURE_ID=3137 PEPMASS=377.0884 SCANS=3137 RTINSECONDS=276.861 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9878 1.2E2 91.9197 1.1E2 100.8051 1.1E2 106.9854 1.9E2 113.0569 2.6E2 125.8839 1.3E2 127.1050 2.6E2 134.0300 1.5E2 135.0406 1.1E3 147.0420 1.0E2 150.0264 1.2E2 151.0413 1.9E2 160.0387 1.9E2 161.0222 2.8E2 199.0670 1.5E2 213.0585 1.5E2 237.0371 1.2E2 285.0896 1.4E2 END IONS BEGIN IONS FEATURE_ID=3160 PEPMASS=172.0962 SCANS=3160 RTINSECONDS=277.752 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (4 removed due to low quality, 0 removed due to low cosine). 69.0365 1.3E2 86.9770 1.9E2 87.0062 1.2E2 130.0871 5.9E2 131.0915 2.3E2 END IONS BEGIN IONS FEATURE_ID=3161 PEPMASS=311.0755 SCANS=3161 RTINSECONDS=279.433 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 10 (0 removed due to low quality, 8 removed due to low cosine). 68.9946 1.7E2 71.0175 1.3E2 75.0078 1.5E2 81.0182 1.5E2 87.0057 2.4E2 93.0313 2.7E2 99.0074 1.5E2 119.0489 2.2E3 120.0538 1.9E2 125.8715 2.1E2 131.0363 1.1E2 163.0346 1.2E2 198.0170 1.6E2 472.4378 2.1E2 END IONS BEGIN IONS FEATURE_ID=3174 PEPMASS=230.1010 SCANS=3174 RTINSECONDS=280.977 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9947 1.1E2 82.0309 1.6E2 96.9708 1.5E2 98.0235 1.1E2 130.0855 1.0E3 132.0881 1.7E2 140.1110 1.1E2 142.1246 1.0E2 159.0404 1.1E2 168.0950 2.3E2 855.4110 1.2E2 END IONS BEGIN IONS FEATURE_ID=3179 PEPMASS=411.1325 SCANS=3179 RTINSECONDS=282.26 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 12 (0 removed due to low quality, 10 removed due to low cosine). 76.9668 3.0E2 88.0065 1.2E2 93.0354 1.8E2 94.9803 2.2E2 101.0268 1.5E3 101.0631 1.7E2 115.0390 8.7E2 131.9858 1.3E2 157.0280 2.3E2 157.0329 1.6E2 158.0254 1.6E2 160.9848 1.4E2 175.0409 2.5E3 176.0392 2.1E2 176.4457 1.1E2 177.0378 1.8E2 177.0707 2.0E2 179.0280 1.4E2 191.0492 2.5E2 219.0293 1.1E4 220.0315 1.4E3 220.0752 2.4E2 221.0308 6.4E2 221.0622 2.0E2 231.0627 1.2E2 259.0631 2.7E2 273.1104 5.3E2 303.0472 2.3E2 317.0644 2.2E2 318.0700 1.5E2 318.0794 1.1E2 378.2623 1.3E2 379.0987 1.5E2 END IONS BEGIN IONS FEATURE_ID=3180 PEPMASS=381.1220 SCANS=3180 RTINSECONDS=282.34 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0516 1.4E2 94.9768 1.3E2 99.0508 2.0E2 100.0449 1.2E2 116.0760 1.2E2 117.0015 2.6E2 117.0568 1.4E2 134.0307 1.0E2 148.0794 1.3E2 153.0888 1.3E2 157.0313 2.8E2 158.0314 1.5E2 161.0790 7.8E2 175.0388 6.3E2 177.0198 3.8E2 179.1094 1.8E2 203.0349 5.1E2 219.0310 1.5E3 220.0362 2.8E2 287.0558 1.3E2 302.1083 1.3E2 END IONS BEGIN IONS FEATURE_ID=3225 PEPMASS=188.0352 SCANS=3225 RTINSECONDS=289.205 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 93.0370 1.2E2 102.0330 2.8E2 116.0458 1.3E2 144.0471 2.2E2 END IONS BEGIN IONS FEATURE_ID=3226 PEPMASS=161.0810 SCANS=3226 RTINSECONDS=289.401 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0494 1.0E2 99.0466 4.5E2 115.0708 1.4E2 END IONS BEGIN IONS FEATURE_ID=3248 PEPMASS=203.0915 SCANS=3248 RTINSECONDS=291.842 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.0153 1.6E2 131.0347 1.1E2 END IONS BEGIN IONS FEATURE_ID=3253 PEPMASS=521.2012 SCANS=3253 RTINSECONDS=291.842 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.9883 1.0E2 79.0563 1.2E2 89.0253 2.1E2 96.9651 1.7E2 159.0368 1.5E2 161.0197 2.2E2 180.0309 1.4E2 191.0498 1.2E2 192.0821 1.0E2 197.0618 1.8E2 236.9408 1.3E2 252.1477 1.5E2 268.9687 2.6E2 276.9626 1.3E2 283.1045 1.2E2 285.1129 2.1E2 286.1183 1.1E2 288.0951 1.1E2 297.0749 1.5E2 297.1451 1.5E2 299.0521 1.1E2 327.0842 1.2E2 329.1410 5.4E3 329.2303 2.0E2 329.2952 1.3E2 329.3056 1.2E2 330.1389 1.4E3 331.0821 1.2E3 331.1389 4.5E2 331.1477 1.4E2 332.0866 4.7E2 336.0447 1.1E2 341.1142 1.0E2 343.0783 1.2E3 344.0845 1.0E2 344.1085 1.8E2 347.1147 1.3E2 348.0515 1.9E2 359.1378 4.0E2 359.1529 2.3E2 361.0999 1.3E2 361.1634 6.6E2 361.2143 1.4E2 361.3307 1.3E2 362.1643 2.7E2 365.1280 1.1E2 369.1633 1.2E2 389.0737 1.1E2 437.1415 1.7E2 454.1102 1.0E2 521.1759 3.7E2 521.1954 4.2E2 522.1744 7.2E2 522.3863 1.3E2 523.1431 2.7E2 523.2394 2.2E2 524.2040 5.6E2 524.2148 1.5E2 525.1904 5.6E2 525.2020 6.9E2 END IONS BEGIN IONS FEATURE_ID=3278 PEPMASS=381.1208 SCANS=3278 RTINSECONDS=296.807 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 81.0343 1.3E2 87.0051 1.1E2 112.0000 1.0E2 119.0361 2.6E2 147.0552 1.9E2 149.0175 1.9E2 160.8425 1.1E2 161.0779 7.2E2 163.0391 1.5E2 177.0143 1.0E2 180.1025 1.4E2 189.0097 1.3E2 202.9873 1.2E2 219.0296 1.6E2 240.0509 1.4E2 260.1271 1.1E2 261.2460 1.3E2 307.1506 1.2E2 349.0901 3.3E2 361.6793 1.0E2 363.1055 8.2E2 363.1850 1.3E2 364.1058 4.7E2 381.1114 1.4E2 385.1820 3.3E2 561.5068 2.1E2 799.9180 1.1E2 END IONS BEGIN IONS FEATURE_ID=3296 PEPMASS=239.0891 SCANS=3296 RTINSECONDS=299.616 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 97.0647 2.2E2 111.0117 2.8E2 136.0164 1.3E2 151.1149 2.9E2 167.7328 1.3E2 177.0909 1.9E2 179.0545 1.2E2 973.6670 1.5E2 END IONS BEGIN IONS FEATURE_ID=3298 PEPMASS=367.1038 SCANS=3298 RTINSECONDS=301.277 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 67.0204 4.9E2 69.0356 1.5E2 85.0285 2.6E2 93.0339 1.8E3 99.0851 1.2E2 111.0473 2.0E2 119.0558 1.1E2 133.0276 1.1E2 134.0367 1.5E3 135.0409 3.4E2 136.0388 1.5E2 160.0135 1.1E2 160.0413 1.0E2 163.0437 2.4E2 171.0924 1.4E2 173.0402 2.8E2 191.0532 5.8E2 212.0446 2.0E2 289.2632 1.3E2 730.4359 1.1E2 END IONS BEGIN IONS FEATURE_ID=3310 PEPMASS=121.0291 SCANS=3310 RTINSECONDS=302.406 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 61.9870 1.6E2 87.9264 1.7E2 91.0178 3.8E2 92.0264 2.4E3 93.0335 4.2E2 120.0190 2.0E2 121.0303 1.6E3 121.0864 1.4E2 122.0328 1.0E2 168.6517 1.7E2 455.0892 1.7E2 END IONS BEGIN IONS FEATURE_ID=3322 PEPMASS=503.2228 SCANS=3322 RTINSECONDS=304.558 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9900 1.1E2 113.0203 1.6E2 135.0400 2.1E2 151.0631 1.1E2 152.0290 1.6E2 191.0518 1.1E2 193.0549 1.7E2 263.1783 1.2E2 318.1457 2.8E2 END IONS BEGIN IONS FEATURE_ID=3323 PEPMASS=513.2516 SCANS=3323 RTINSECONDS=304.558 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0123 2.6E2 99.0070 1.1E2 101.0253 2.5E2 113.0257 1.8E2 119.0348 4.1E2 162.8353 1.5E2 233.0690 1.6E2 253.0088 1.0E2 289.1089 2.6E2 317.0881 2.2E2 317.1458 1.9E2 321.0365 2.4E2 321.1932 1.3E3 322.1963 2.1E2 395.0249 2.4E2 397.0325 1.2E2 437.2330 1.0E2 467.2430 1.3E3 467.3608 1.3E2 468.2583 1.9E2 470.2544 1.6E2 514.0902 2.7E2 515.0893 1.3E2 515.1988 2.3E2 END IONS BEGIN IONS FEATURE_ID=3330 PEPMASS=203.0915 SCANS=3330 RTINSECONDS=305.99 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.0192 1.3E2 99.0791 2.7E2 204.0595 1.2E2 253.1545 1.2E2 473.8738 1.0E2 END IONS BEGIN IONS FEATURE_ID=3370 PEPMASS=153.0183 SCANS=3370 RTINSECONDS=310.429 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 66.9957 1.5E2 78.9546 1.5E2 81.0319 1.2E2 108.0217 7.4E3 108.0755 1.6E2 108.1181 2.2E2 108.1508 1.2E2 108.1986 1.3E2 109.0209 1.2E2 109.0301 1.2E3 109.0597 2.0E2 110.9106 1.7E2 111.0351 1.0E2 153.0120 1.1E2 390.1103 2.0E2 493.8274 1.3E2 END IONS BEGIN IONS FEATURE_ID=3376 PEPMASS=188.0360 SCANS=3376 RTINSECONDS=313.225 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 65.9990 2.4E2 79.9573 1.4E2 115.0367 2.6E2 144.0524 3.7E2 748.0601 1.1E2 END IONS BEGIN IONS FEATURE_ID=3387 PEPMASS=366.1172 SCANS=3387 RTINSECONDS=316.118 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0116 1.5E2 74.0246 1.4E3 88.0392 1.2E2 101.9406 1.4E2 116.0305 1.5E2 122.0597 1.7E2 128.0308 2.4E2 133.0281 5.1E2 134.0322 2.8E2 135.0433 3.6E2 135.2720 1.1E2 136.0477 1.4E2 146.0400 1.4E2 161.0220 5.5E2 292.0386 1.3E2 END IONS BEGIN IONS FEATURE_ID=3391 PEPMASS=381.1219 SCANS=3391 RTINSECONDS=317.589 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 94.9800 1.0E2 99.0489 3.0E2 101.0195 1.5E2 117.0532 4.5E2 119.0498 1.1E2 130.9751 1.9E2 135.0433 1.4E2 157.0284 4.7E2 159.9809 1.4E2 161.0782 4.5E2 167.3679 1.3E2 175.0406 1.6E2 203.0363 1.1E3 203.1662 1.0E2 203.2005 1.1E2 203.3858 1.0E2 219.0309 1.4E3 220.0373 1.3E2 229.0903 1.8E2 END IONS BEGIN IONS FEATURE_ID=3394 PEPMASS=411.1323 SCANS=3394 RTINSECONDS=318.692 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 101.0218 6.6E2 101.0602 1.1E2 115.0411 1.0E2 132.9959 2.7E2 157.0307 2.4E2 160.9949 3.0E2 162.9961 1.6E2 174.0335 1.3E2 175.0429 8.4E2 176.0444 5.5E2 177.0476 1.3E2 191.0583 1.7E2 219.0306 4.5E3 220.0279 5.2E2 220.2060 1.1E2 221.0309 4.0E2 273.1110 1.2E2 303.0487 1.1E2 317.0782 1.9E2 327.8071 1.3E2 460.1579 1.0E2 END IONS BEGIN IONS FEATURE_ID=3400 PEPMASS=363.1469 SCANS=3400 RTINSECONDS=320.011 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 67.0214 3.2E2 71.0164 2.3E2 81.0327 3.8E2 85.0293 2.0E2 93.0341 1.0E3 93.0645 1.5E2 109.0290 1.3E2 111.0441 3.2E2 115.0371 4.4E2 115.0765 1.4E2 117.0364 3.2E2 127.0207 2.7E3 127.1188 1.2E2 128.0248 1.3E2 134.0366 1.8E3 134.4064 1.0E2 135.0442 7.6E2 141.0339 9.3E2 143.0435 1.2E2 145.0304 1.5E2 146.5541 1.2E2 153.0715 1.4E2 159.0381 1.2E2 160.0167 1.5E2 173.0507 1.6E2 179.0356 1.5E2 191.0519 7.4E2 203.0734 8.0E2 203.1153 2.0E2 211.0444 1.3E2 225.0542 3.2E2 239.0642 1.1E2 287.1052 2.0E2 301.0972 2.4E2 301.1704 1.1E2 363.1353 1.0E2 END IONS BEGIN IONS FEATURE_ID=3421 PEPMASS=567.2095 SCANS=3421 RTINSECONDS=324.94 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0148 1.1E2 89.0231 2.1E2 113.4496 1.5E2 216.0753 1.4E2 272.9701 1.0E2 275.0850 1.6E2 280.4823 1.8E2 285.5095 1.4E2 313.0614 1.5E2 329.1400 1.3E2 370.0834 1.1E2 431.0479 1.7E2 522.2011 1.6E2 533.2378 1.3E2 535.0521 1.1E2 564.2441 1.0E2 567.1989 1.2E2 569.2426 4.9E2 569.3314 1.1E2 END IONS BEGIN IONS FEATURE_ID=3427 PEPMASS=165.0182 SCANS=3427 RTINSECONDS=324.976 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9616 1.6E2 855.8767 2.6E2 END IONS BEGIN IONS FEATURE_ID=3428 PEPMASS=121.0289 SCANS=3428 RTINSECONDS=324.976 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 74.9313 1.2E2 91.0135 1.2E2 91.0178 2.3E2 92.0254 6.7E3 92.1118 1.4E2 93.0270 2.3E2 93.0337 1.0E3 94.0428 1.1E2 120.0194 1.3E3 120.0571 1.5E2 121.0277 4.9E3 121.0870 1.1E2 121.1280 2.6E2 122.0242 1.9E2 122.0312 2.4E2 123.0264 2.1E2 123.6002 1.1E2 214.4250 1.6E2 224.0255 1.3E2 239.5837 1.4E2 301.3941 1.2E2 417.5807 1.4E2 485.6943 1.1E2 END IONS BEGIN IONS FEATURE_ID=3429 PEPMASS=367.1025 SCANS=3429 RTINSECONDS=327.368 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 20 (0 removed due to low quality, 16 removed due to low cosine). 65.0404 1.5E2 79.0530 2.7E2 79.0584 1.8E2 81.0330 2.0E2 83.0477 1.5E2 85.0283 9.0E2 85.0437 1.3E2 86.0339 1.2E2 89.0404 1.6E2 91.0539 1.1E2 93.0348 5.9E2 99.0447 3.7E2 105.0336 2.4E2 106.0456 3.4E2 107.0510 5.2E2 109.0270 1.6E2 109.0343 1.8E2 117.0250 1.3E2 117.0326 1.1E2 121.0665 1.1E2 127.0370 2.4E2 133.0302 2.4E3 133.0729 2.3E2 134.0356 2.7E3 134.1294 1.2E2 135.0432 1.8E4 135.0854 3.0E2 135.0965 6.5E2 135.1503 2.4E2 136.0483 1.5E3 136.0523 4.2E2 136.0847 1.6E2 145.0298 1.2E2 160.0115 1.2E2 160.9742 1.6E2 161.0213 3.9E3 161.0571 1.3E2 161.0653 1.7E2 161.6060 1.1E2 162.0195 1.4E2 179.0327 1.5E3 179.0683 1.7E2 180.0344 2.9E2 181.0378 1.1E2 191.0512 5.0E2 192.0467 1.7E2 192.0581 3.2E2 217.0506 1.2E2 226.8225 1.3E2 END IONS BEGIN IONS FEATURE_ID=3440 PEPMASS=363.1461 SCANS=3440 RTINSECONDS=329.732 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.0093 1.4E2 71.0131 1.7E2 74.0248 2.6E2 83.0287 1.2E2 85.0292 1.3E3 87.0041 1.1E2 91.0556 1.3E2 93.0359 5.8E2 94.0296 5.1E2 95.0318 2.2E2 97.0631 1.2E2 107.0497 4.6E2 107.9021 2.2E2 115.0402 1.1E2 121.0251 1.2E2 127.0219 1.3E3 133.0283 2.5E3 133.0935 1.3E2 134.0375 1.9E3 134.1117 1.1E2 134.1465 1.2E2 135.0444 1.4E4 141.0355 5.4E2 141.0707 1.9E2 145.0294 2.1E2 146.0208 1.0E2 161.0230 3.7E3 161.1395 1.6E2 173.0548 1.2E2 179.0307 1.9E3 191.0535 2.1E2 203.0727 3.5E2 205.0712 1.3E2 225.0538 1.0E2 287.0983 2.0E2 301.0999 1.3E2 END IONS BEGIN IONS FEATURE_ID=3454 PEPMASS=565.1933 SCANS=3454 RTINSECONDS=332.44 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0270 1.9E2 100.0457 1.2E2 209.0239 1.3E2 259.0218 2.6E2 312.0916 1.2E2 327.1209 3.3E2 336.1667 1.1E2 339.1302 2.0E2 471.1314 1.6E2 521.2181 2.4E2 565.2568 2.3E2 567.2692 4.1E2 569.2579 2.2E2 END IONS BEGIN IONS FEATURE_ID=3470 PEPMASS=337.0921 SCANS=3470 RTINSECONDS=337.371 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 71.0170 1.3E2 85.0300 7.0E2 86.0297 1.3E2 87.0094 1.2E2 93.0328 3.8E2 93.0586 1.1E2 101.0284 1.2E2 127.0373 3.7E2 130.0183 2.3E2 136.0436 1.3E2 154.0083 1.0E2 163.0383 1.4E2 172.0249 1.4E2 173.0368 1.6E2 191.0532 8.8E3 191.7568 1.0E2 192.0563 9.8E2 192.1877 2.1E2 193.0530 1.1E2 291.0727 1.2E2 776.9301 1.9E2 END IONS BEGIN IONS FEATURE_ID=3490 PEPMASS=173.0804 SCANS=3490 RTINSECONDS=341.241 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0445 1.7E2 86.9749 4.6E2 109.0672 2.7E2 111.0770 5.4E2 112.0849 1.5E2 128.8838 1.7E2 129.0883 1.6E2 133.0287 1.1E2 END IONS BEGIN IONS FEATURE_ID=3522 PEPMASS=203.0912 SCANS=3522 RTINSECONDS=347.076 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.0186 2.3E2 79.9532 2.3E2 END IONS BEGIN IONS FEATURE_ID=3527 PEPMASS=345.1527 SCANS=3527 RTINSECONDS=348.504 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0128 2.6E2 89.0270 5.3E2 101.0241 8.2E2 105.0196 1.2E2 119.0498 1.1E2 121.1033 4.7E2 163.0390 9.1E2 164.9269 1.4E2 166.0542 1.3E2 173.0163 1.1E2 175.1146 1.1E2 187.0935 1.3E2 209.0894 1.0E2 211.0990 1.7E2 475.1852 1.0E2 655.3400 2.1E2 END IONS BEGIN IONS FEATURE_ID=3531 PEPMASS=595.1692 SCANS=3531 RTINSECONDS=348.504 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9897 1.2E2 89.0270 2.0E2 105.0238 2.3E2 107.0139 2.3E2 135.0435 1.6E2 151.0036 2.1E3 151.0817 1.1E2 151.1159 1.2E2 152.0027 2.2E2 152.0386 1.1E2 181.9189 2.5E2 190.0535 1.4E2 204.0424 1.7E2 214.0699 1.8E2 223.1125 1.3E2 242.9129 1.0E2 285.0389 1.9E2 287.0471 4.5E2 287.0958 1.5E2 288.9253 1.3E2 297.0474 2.5E2 300.4210 1.0E2 304.0217 1.1E2 308.9887 1.4E2 321.0233 2.2E2 323.1085 1.0E2 358.1205 1.4E2 476.9870 1.3E2 711.6907 1.0E2 END IONS BEGIN IONS FEATURE_ID=3578 PEPMASS=143.0704 SCANS=3578 RTINSECONDS=363.513 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 61.9917 1.7E2 73.9999 3.7E2 125.0590 2.0E2 442.1526 1.2E2 END IONS BEGIN IONS FEATURE_ID=3583 PEPMASS=363.1468 SCANS=3583 RTINSECONDS=364.878 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0312 1.1E2 93.0373 1.8E2 97.0668 2.8E2 97.0931 1.1E2 101.0204 1.4E2 127.0219 1.6E3 133.0247 2.8E2 134.0393 1.8E2 135.0444 6.4E2 141.0340 6.4E2 141.0710 3.9E2 142.0467 2.0E2 145.0284 3.8E2 191.0526 1.5E2 203.0721 8.6E2 203.1110 2.1E2 211.0397 3.3E2 225.0597 4.8E2 226.0597 1.3E2 239.0714 3.0E2 287.0917 4.9E2 288.0970 1.8E2 301.1126 1.7E2 END IONS BEGIN IONS FEATURE_ID=3594 PEPMASS=167.0344 SCANS=3594 RTINSECONDS=366.315 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 91.0248 1.6E2 107.0170 1.5E2 108.0228 5.7E2 820.0131 1.3E2 END IONS BEGIN IONS FEATURE_ID=3601 PEPMASS=173.0802 SCANS=3601 RTINSECONDS=368.084 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 83.0480 2.9E2 85.9435 1.8E2 86.9757 4.8E2 93.0339 1.3E2 111.0787 5.1E2 112.0841 1.7E2 130.9667 1.2E2 429.9335 1.2E2 END IONS BEGIN IONS FEATURE_ID=3606 PEPMASS=363.1457 SCANS=3606 RTINSECONDS=370.986 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 66.0393 1.4E2 67.0166 1.5E2 71.0536 1.2E2 119.0497 2.0E2 127.0186 1.8E3 127.1246 1.5E2 127.9080 1.2E2 128.0261 2.8E2 129.0384 1.3E2 133.0274 2.6E2 134.0366 1.8E2 134.1975 1.6E2 135.0446 4.9E2 141.0355 4.6E2 148.0380 1.7E2 161.0192 3.7E2 164.0473 1.2E2 203.0720 4.6E2 203.1120 1.5E2 204.0754 1.3E2 211.0372 2.2E2 225.0555 2.1E2 239.0701 2.8E2 287.0947 2.8E2 358.0518 1.0E2 END IONS BEGIN IONS FEATURE_ID=3618 PEPMASS=617.1966 SCANS=3618 RTINSECONDS=373.334 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0129 1.6E2 89.0243 3.1E2 119.0349 2.4E2 149.0285 1.2E2 195.0678 1.7E2 205.1214 1.9E2 235.0539 1.1E2 327.0783 1.2E2 383.1023 2.1E2 383.1433 1.1E2 389.1515 1.5E2 419.1660 1.2E2 427.0173 1.3E2 434.9525 1.7E2 547.2497 1.2E2 579.0657 1.8E2 581.1929 1.6E2 583.2289 1.4E2 617.1955 2.3E2 618.2096 1.7E2 619.1015 1.3E2 621.1828 1.2E2 737.3180 1.5E2 END IONS BEGIN IONS FEATURE_ID=3624 PEPMASS=595.1668 SCANS=3624 RTINSECONDS=376.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 65.0045 1.5E2 107.0129 2.0E2 125.0239 1.3E2 135.0447 4.0E2 151.0029 2.3E3 151.0712 1.3E2 171.0101 1.0E2 179.0312 1.7E2 192.0840 1.2E2 193.0087 1.2E2 203.0729 1.6E2 204.0374 1.5E2 252.0112 1.1E2 255.0277 1.1E2 283.0564 1.4E2 287.0469 4.1E2 347.0546 2.1E2 373.1431 1.4E2 375.0845 1.9E2 459.1387 1.2E2 983.5798 1.1E2 END IONS BEGIN IONS FEATURE_ID=3625 PEPMASS=371.0768 SCANS=3625 RTINSECONDS=376.466 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (2 removed due to low quality, 7 removed due to low cosine). 74.0254 1.1E2 97.0625 1.0E2 109.0310 8.2E2 128.0325 4.1E2 142.8697 1.8E2 145.0335 1.4E2 157.0266 3.2E2 158.0344 4.9E2 159.0422 2.4E2 173.0329 2.0E2 198.0245 1.7E2 225.0494 2.5E2 239.0709 1.3E2 246.0152 1.2E2 249.0563 1.8E2 253.0407 1.7E2 254.0486 2.0E2 267.0703 2.4E2 268.0673 2.2E2 293.0389 1.1E2 END IONS BEGIN IONS FEATURE_ID=3638 PEPMASS=309.0963 SCANS=3638 RTINSECONDS=379.06 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 65.9968 2.2E2 86.9731 2.2E2 91.0538 3.4E2 92.0592 1.2E2 93.0349 4.2E2 96.9578 2.5E2 98.9558 1.7E2 103.0579 1.2E2 104.0279 1.2E2 111.6728 1.5E2 118.0680 1.1E2 119.0498 9.3E3 119.1041 4.5E2 119.1402 1.2E2 119.1503 4.2E2 119.2804 1.1E2 119.3996 1.1E2 120.0537 1.3E3 123.0445 1.9E2 124.0485 3.3E2 135.0806 2.2E2 150.9060 1.0E2 161.0433 1.8E2 163.0334 1.4E2 174.0384 1.5E2 209.0516 1.3E2 291.1264 2.6E2 586.3703 1.9E2 743.0453 2.1E2 950.8738 1.2E2 END IONS BEGIN IONS FEATURE_ID=3648 PEPMASS=167.0339 SCANS=3648 RTINSECONDS=381.638 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 91.0222 1.7E2 107.0099 1.6E2 108.0218 4.3E3 108.0940 1.4E2 108.1188 1.6E2 109.0307 1.1E2 135.0418 1.8E2 152.0066 1.4E2 170.6479 1.7E2 END IONS BEGIN IONS FEATURE_ID=3657 PEPMASS=557.1756 SCANS=3657 RTINSECONDS=384.323 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0237 2.5E2 95.0536 1.2E2 100.7613 1.4E2 132.9340 1.1E2 181.0204 2.0E2 185.0155 2.5E2 201.0163 1.1E2 223.0839 1.3E2 265.0831 1.3E2 269.0689 1.2E2 276.9917 1.2E2 325.1491 1.8E2 335.0540 1.3E2 464.1152 1.6E2 512.8889 2.6E2 END IONS BEGIN IONS FEATURE_ID=3670 PEPMASS=521.2013 SCANS=3670 RTINSECONDS=386.621 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 71.0137 2.7E2 72.9960 1.2E2 73.7958 1.1E2 95.0145 1.7E2 101.0273 1.1E2 125.0640 1.3E2 136.0471 1.2E2 147.0610 1.2E2 153.0109 1.2E2 155.0267 1.0E2 160.0547 3.2E2 160.9218 1.9E2 171.0981 2.0E2 173.0552 1.9E2 173.1145 1.6E2 175.0738 1.1E3 178.0597 8.6E2 191.0641 1.1E2 192.0764 4.2E2 193.0839 3.3E2 204.0332 1.1E2 244.5906 1.1E2 265.0453 1.6E2 283.0601 1.7E2 283.1064 1.7E2 323.0423 1.2E2 329.1480 3.5E2 330.1414 1.6E2 554.4476 1.4E2 END IONS BEGIN IONS FEATURE_ID=3688 PEPMASS=557.1771 SCANS=3688 RTINSECONDS=391.33 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 101.0216 1.8E2 135.0467 1.4E2 139.7842 1.3E2 234.0237 1.0E2 236.9630 1.1E2 269.0841 1.6E2 288.0955 1.6E2 291.0637 1.0E2 335.0551 1.6E2 336.0555 2.0E2 365.0414 1.4E2 435.2171 1.4E2 526.1770 1.1E2 531.4485 1.3E2 END IONS BEGIN IONS FEATURE_ID=3689 PEPMASS=609.1438 SCANS=3689 RTINSECONDS=392.105 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 6 (0 removed due to low quality, 0 removed due to low cosine). 64.0273 1.2E2 87.0069 2.6E2 101.0227 1.1E2 107.0131 2.7E2 109.0263 2.2E2 109.0330 1.7E2 121.0253 3.1E2 125.0183 1.7E2 130.9640 1.7E2 150.7974 1.0E2 150.9991 4.5E2 151.0031 8.3E2 151.0419 3.7E2 163.0001 1.3E2 173.0616 1.2E2 178.9977 2.4E2 193.0087 1.4E2 195.0582 2.1E2 202.0237 1.5E2 204.2760 1.3E2 230.0539 1.7E2 233.0781 1.5E2 255.0250 1.8E2 255.0318 1.1E2 285.0318 2.1E2 285.0387 1.8E2 285.0471 1.2E2 286.0401 1.2E2 289.1220 1.3E2 298.4768 1.5E2 300.0207 8.7E2 300.0321 1.5E2 300.3698 1.0E2 301.0339 3.2E4 301.7203 1.4E2 302.0377 7.1E3 302.0916 1.3E2 302.1408 1.0E2 302.1922 1.0E2 302.2004 2.9E2 303.0360 6.6E2 303.0387 2.0E2 303.0612 1.5E2 303.1000 1.1E2 314.0326 1.7E2 314.0395 2.1E2 316.0594 1.3E2 379.1059 1.2E2 401.9741 2.2E2 402.0789 1.2E2 403.1286 2.6E2 414.1266 1.5E2 448.1217 1.9E2 451.2421 1.2E2 459.1084 2.3E2 480.0449 1.1E2 481.2465 1.5E2 514.6484 1.8E2 573.1410 1.8E2 593.0496 1.0E2 609.1449 1.0E4 609.2627 3.1E2 609.7947 1.7E2 610.1436 5.2E3 610.2605 1.5E2 610.3553 1.3E2 611.1559 1.1E3 611.2514 1.6E2 612.1843 1.2E2 END IONS BEGIN IONS FEATURE_ID=3703 PEPMASS=567.2083 SCANS=3703 RTINSECONDS=395.987 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 135.0494 1.1E2 210.9659 1.6E2 311.0871 1.2E2 313.7640 1.4E2 325.0419 1.6E2 327.0706 1.7E2 END IONS BEGIN IONS FEATURE_ID=3711 PEPMASS=211.0242 SCANS=3711 RTINSECONDS=397.659 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 80.0491 4.2E2 108.0222 1.4E3 108.0833 1.2E2 109.0252 1.1E2 138.0361 1.2E2 151.1102 2.6E2 152.0082 1.1E3 153.0153 1.2E2 155.0647 1.5E2 159.8896 1.5E2 END IONS BEGIN IONS FEATURE_ID=3718 PEPMASS=167.0337 SCANS=3718 RTINSECONDS=400.349 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 108.0188 1.6E2 143.7012 2.4E2 END IONS BEGIN IONS FEATURE_ID=3722 PEPMASS=537.2083 SCANS=3722 RTINSECONDS=400.603 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9940 5.4E2 101.0240 1.8E2 109.0275 2.7E2 123.0424 3.4E2 134.0372 5.3E2 135.0450 7.3E2 135.0825 1.5E2 136.0461 1.5E2 136.3579 1.2E2 149.0575 1.3E2 176.5558 1.4E2 179.0357 4.4E2 197.0444 2.1E2 198.0406 1.6E2 211.1225 1.1E2 227.1190 1.1E2 236.0429 1.3E2 267.0630 7.3E2 269.0741 3.5E2 270.0904 1.6E2 277.0512 3.9E2 277.1112 1.2E2 293.0446 2.0E2 295.0613 5.9E2 296.0629 1.8E2 309.0486 1.3E2 315.1104 1.1E2 339.0413 3.4E2 347.1807 1.0E2 END IONS BEGIN IONS FEATURE_ID=3725 PEPMASS=547.2393 SCANS=3725 RTINSECONDS=403.03 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0150 7.8E2 73.0293 1.6E2 85.0305 2.1E2 89.0235 9.3E2 131.0362 2.0E2 135.0477 1.7E2 149.0423 2.9E2 151.0315 2.0E2 166.0638 1.0E2 179.0185 1.0E2 190.0529 2.0E2 312.0862 1.0E2 344.1173 1.4E2 367.0004 1.7E2 END IONS BEGIN IONS FEATURE_ID=3735 PEPMASS=439.1280 SCANS=3735 RTINSECONDS=405.314 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 115.0713 2.8E2 177.0723 2.6E2 219.0320 6.6E2 219.0856 7.5E2 220.0334 2.6E2 220.0897 2.4E2 238.0424 1.3E2 238.9965 1.6E2 303.0624 1.4E2 395.0680 1.5E2 421.1168 2.0E3 422.1226 1.1E3 423.1280 1.9E2 439.1281 1.9E2 440.1436 1.9E2 END IONS BEGIN IONS FEATURE_ID=3746 PEPMASS=565.1931 SCANS=3746 RTINSECONDS=410.118 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 61.9894 1.1E2 113.0211 2.0E2 184.8718 2.2E2 279.0542 1.4E2 314.1134 1.6E2 327.1533 2.6E2 329.1284 1.0E2 330.1240 1.4E2 341.1221 1.8E2 END IONS BEGIN IONS FEATURE_ID=3754 PEPMASS=569.2347 SCANS=3754 RTINSECONDS=411.886 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0258 2.1E2 101.0224 1.8E2 114.0231 1.1E2 115.0291 1.1E2 143.0294 2.2E2 144.0681 1.8E2 179.0365 1.3E2 196.0384 1.1E2 217.0486 2.1E2 371.1976 1.7E2 END IONS BEGIN IONS FEATURE_ID=3760 PEPMASS=555.1643 SCANS=3760 RTINSECONDS=412.499 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 89.0206 1.7E2 159.0424 2.0E2 192.0542 1.5E2 224.1549 1.0E2 230.4430 1.5E2 234.9874 1.9E2 301.1071 1.5E2 335.0526 1.9E2 525.1702 1.2E2 637.7483 1.2E2 END IONS BEGIN IONS FEATURE_ID=3762 PEPMASS=413.1454 SCANS=3762 RTINSECONDS=415.031 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 69.0340 2.0E2 72.9948 2.0E2 96.0122 1.1E2 99.0449 2.0E2 101.0243 3.7E2 151.0485 1.8E2 179.0284 1.3E2 227.0015 1.3E2 END IONS BEGIN IONS FEATURE_ID=3778 PEPMASS=587.1886 SCANS=3778 RTINSECONDS=417.045 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 119.0293 1.0E2 205.0896 2.2E2 359.0802 1.2E2 359.1469 1.1E2 450.8195 1.2E2 453.8551 1.4E2 458.6413 1.4E2 509.1267 1.3E2 551.2148 1.4E2 587.1841 2.7E2 589.2543 1.7E2 591.2780 1.1E2 931.2531 1.2E2 END IONS BEGIN IONS FEATURE_ID=3789 PEPMASS=537.1027 SCANS=3789 RTINSECONDS=419.636 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9925 2.9E2 89.0204 1.4E2 91.0541 1.4E2 109.0315 2.0E2 118.6709 1.2E2 123.0396 1.3E2 135.0441 7.3E2 159.0425 2.9E2 179.0287 7.8E2 197.0432 1.5E2 198.0498 2.6E2 203.0375 2.3E2 230.0169 1.4E2 241.0492 1.3E2 249.0567 2.6E2 267.0586 5.3E2 267.1122 1.3E2 269.0772 3.0E2 280.0492 1.0E2 295.0503 2.3E2 296.0557 3.5E2 311.6961 1.0E2 339.0459 1.3E2 357.1799 1.1E2 363.0491 1.9E2 371.0351 1.3E2 376.2020 1.2E2 540.2553 1.6E2 END IONS BEGIN IONS FEATURE_ID=3799 PEPMASS=163.0388 SCANS=3799 RTINSECONDS=422.212 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 93.0360 6.0E2 120.0467 1.2E2 END IONS BEGIN IONS FEATURE_ID=3801 PEPMASS=363.1471 SCANS=3801 RTINSECONDS=422.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 101.0256 4.3E2 109.0128 2.2E2 115.0365 1.3E2 115.0764 1.6E2 117.0587 2.6E2 119.0492 3.0E2 126.0208 1.9E2 127.0199 9.5E2 128.0177 1.4E2 141.0341 4.2E2 145.0247 2.8E2 159.0373 2.7E2 177.0177 1.6E2 200.0725 1.6E2 203.0692 9.8E2 240.0714 2.4E2 242.0671 1.7E2 287.0960 3.9E2 301.0963 2.6E2 END IONS BEGIN IONS FEATURE_ID=3822 PEPMASS=587.1860 SCANS=3822 RTINSECONDS=430.029 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 101.0242 1.4E2 119.0356 2.7E2 136.0198 1.4E2 174.0659 1.9E2 183.0524 1.2E2 280.0465 1.2E2 308.0229 1.4E2 339.1168 1.1E2 356.4874 1.1E2 371.1640 1.2E2 372.1448 1.9E2 373.1310 1.4E2 533.1639 1.0E2 551.2238 1.4E2 556.1725 1.6E2 589.1731 3.8E2 590.1891 1.5E2 END IONS BEGIN IONS FEATURE_ID=3831 PEPMASS=551.2122 SCANS=3831 RTINSECONDS=430.168 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0228 1.4E2 101.0333 1.1E2 135.0462 3.0E2 143.8479 1.1E2 159.0469 1.6E2 177.0467 1.3E2 189.0559 2.5E2 190.0551 1.5E2 191.0629 1.9E2 193.0530 2.6E2 197.9760 1.6E2 205.0805 1.0E2 208.0719 4.1E2 222.0260 1.3E2 222.0922 2.6E2 225.0501 1.7E2 252.9338 2.3E2 280.1169 1.7E2 337.0570 1.8E2 344.1247 1.9E2 359.1544 2.5E2 360.1385 1.4E2 406.8662 1.1E2 680.5989 1.9E2 END IONS BEGIN IONS FEATURE_ID=3834 PEPMASS=174.0545 SCANS=3834 RTINSECONDS=432.632 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 86.9720 1.9E2 116.0513 1.1E2 133.0269 2.7E2 END IONS BEGIN IONS FEATURE_ID=3843 PEPMASS=537.1029 SCANS=3843 RTINSECONDS=432.61 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9906 1.6E2 109.0258 1.5E2 135.0441 1.9E2 179.0389 2.4E2 197.0440 5.5E2 229.0064 1.9E2 237.0557 1.4E2 267.0654 2.2E2 270.0849 1.1E2 295.0589 3.5E2 297.0677 2.3E2 313.0732 1.7E2 339.0537 1.1E3 340.0554 5.1E2 341.0505 2.3E2 359.0858 1.8E2 493.1160 1.4E2 494.1295 1.9E2 503.1641 1.5E2 539.2242 1.2E2 END IONS BEGIN IONS FEATURE_ID=3844 PEPMASS=569.2350 SCANS=3844 RTINSECONDS=432.61 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 161.0427 1.3E2 217.0498 1.5E2 221.0624 2.1E2 309.0968 1.1E2 333.0296 1.1E2 353.1564 1.1E2 372.2028 2.8E2 415.5156 1.1E2 416.2979 1.9E2 533.2611 1.3E3 534.0457 2.0E2 534.2702 6.4E2 535.2633 3.1E2 569.2255 5.3E2 570.2417 2.0E2 571.2317 1.5E2 572.2431 1.5E2 950.7782 1.3E2 END IONS BEGIN IONS FEATURE_ID=3863 PEPMASS=163.0387 SCANS=3863 RTINSECONDS=439.982 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 91.0577 1.1E2 93.0364 3.6E2 120.0537 1.2E2 END IONS BEGIN IONS FEATURE_ID=3883 PEPMASS=609.1447 SCANS=3883 RTINSECONDS=442.771 CHARGE=1- MSLEVEL=2 MERGED_STATS=10 / 10 (0 removed due to low quality, 0 removed due to low cosine). 121.0307 2.4E2 151.0019 1.8E3 175.0028 7.9E2 285.0426 3.7E2 300.0260 2.3E3 301.0336 6.0E4 301.1882 1.0E3 302.0380 1.3E4 302.1292 3.1E2 303.0360 8.3E2 343.0406 2.4E2 609.1426 2.1E4 610.1473 8.3E3 610.2676 3.4E2 610.3662 2.8E2 611.1459 2.7E3 END IONS BEGIN IONS FEATURE_ID=3909 PEPMASS=785.2504 SCANS=3909 RTINSECONDS=449.7 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0146 1.1E2 113.0245 2.1E2 131.0313 1.4E2 133.0312 1.8E2 135.0508 1.8E2 161.0238 2.1E3 161.2176 1.1E2 179.0224 1.9E2 206.0786 1.4E2 315.1135 1.4E2 458.8806 1.5E2 461.1639 3.1E2 463.1844 1.6E2 530.0364 1.1E2 623.2126 1.8E3 623.3830 1.1E2 624.2165 6.3E2 625.2261 5.0E2 649.1487 1.4E2 776.9614 1.1E2 785.2434 6.9E2 786.2704 2.2E2 787.2578 2.5E2 END IONS BEGIN IONS FEATURE_ID=3925 PEPMASS=625.1399 SCANS=3925 RTINSECONDS=452.307 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 109.0316 4.4E2 121.0324 1.3E2 151.0029 1.5E3 151.1185 1.1E2 153.0174 1.6E3 163.0034 4.5E2 170.0148 1.6E2 178.9996 3.5E2 190.9928 1.9E2 193.0096 3.6E2 206.9952 2.2E2 222.0124 1.6E2 234.9639 2.4E2 273.0373 2.1E2 273.9619 1.2E2 283.0110 1.3E2 295.0603 1.9E2 299.0195 1.9E2 300.0120 2.1E2 317.0302 1.1E2 335.1986 1.5E2 377.0047 1.4E2 459.1096 1.0E2 658.5929 1.1E2 740.6898 2.0E2 END IONS BEGIN IONS FEATURE_ID=3931 PEPMASS=477.1247 SCANS=3931 RTINSECONDS=454.845 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.0300 2.4E2 102.9320 1.6E2 109.0323 1.3E2 125.0250 9.8E2 151.0034 8.6E2 153.0107 3.6E2 169.0166 1.0E2 179.0376 1.1E2 192.9985 2.5E2 199.1256 1.5E2 211.0211 1.3E2 478.1079 1.0E2 END IONS BEGIN IONS FEATURE_ID=3938 PEPMASS=569.2361 SCANS=3938 RTINSECONDS=457.38 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 86.8830 2.7E2 89.0236 1.0E2 161.0466 2.6E2 165.0558 1.6E2 189.1492 1.0E2 233.1710 1.5E2 249.0468 1.6E2 278.0112 1.1E2 525.3002 2.6E2 533.2627 1.4E3 534.2662 3.4E2 534.3621 1.0E2 537.0840 1.1E2 569.2443 2.8E2 570.2440 2.4E2 571.2270 3.0E2 572.2431 2.9E2 573.2483 1.2E2 END IONS BEGIN IONS FEATURE_ID=3940 PEPMASS=369.1441 SCANS=3940 RTINSECONDS=458.235 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9920 2.7E2 78.9553 1.1E2 86.9783 1.5E2 93.0313 4.2E2 93.0523 1.3E2 94.0376 1.7E2 107.0527 1.7E2 109.0675 1.4E2 113.0208 1.9E2 120.8954 1.8E2 129.0111 2.3E2 134.0394 1.6E2 135.0436 4.7E3 135.1360 1.3E2 136.0487 5.1E2 148.0500 1.1E2 149.0583 2.4E2 152.0708 1.6E2 159.3716 2.0E2 163.0353 1.8E2 166.0207 2.6E2 174.9451 2.5E2 189.0635 1.2E2 209.0636 2.1E2 229.0090 1.3E2 233.0931 3.5E2 233.9584 1.0E2 234.0904 3.4E2 241.1459 1.1E2 249.1192 6.3E2 250.1322 2.6E2 263.0179 1.3E2 275.1011 5.0E2 281.0312 1.1E2 326.0831 1.3E2 369.1485 3.3E2 370.1573 1.1E2 END IONS BEGIN IONS FEATURE_ID=3941 PEPMASS=525.1020 SCANS=3941 RTINSECONDS=458.235 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9915 2.6E2 109.0261 2.8E2 135.0421 5.5E2 173.0218 2.9E2 174.0396 2.4E2 186.0206 1.9E2 191.0300 1.3E2 212.0353 1.5E2 240.0466 1.7E2 255.0627 3.0E2 256.0763 2.7E2 264.0394 1.7E2 265.0491 1.9E2 267.0658 1.8E2 279.0514 2.5E2 282.0493 1.4E2 283.0612 1.0E3 283.1248 1.5E2 284.0632 2.2E2 287.4420 1.1E2 296.0693 1.1E2 402.1132 1.5E2 428.0562 2.6E2 END IONS BEGIN IONS FEATURE_ID=3945 PEPMASS=395.1379 SCANS=3945 RTINSECONDS=459.845 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 76.9683 1.9E2 80.9650 2.5E2 93.0343 2.4E2 99.0415 1.8E2 117.0506 1.9E2 134.9770 1.5E2 153.0856 1.3E2 157.0322 3.9E2 159.0079 2.2E2 159.0498 1.2E2 159.2487 1.0E2 160.0074 1.3E2 161.0818 1.9E2 173.0359 1.1E2 174.0219 2.6E2 175.0398 4.3E2 175.0833 1.9E2 176.0436 2.9E2 178.0361 1.1E2 191.0412 1.6E2 202.0859 1.1E2 203.0345 1.7E3 204.0311 1.7E2 219.0285 9.8E2 220.0391 1.9E2 257.1191 3.0E2 259.1166 1.6E2 261.1056 1.2E2 273.1085 2.4E2 275.0872 1.0E2 301.1013 2.9E2 END IONS BEGIN IONS FEATURE_ID=3963 PEPMASS=533.2591 SCANS=3963 RTINSECONDS=462.538 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0160 3.4E2 72.9937 1.4E2 73.0306 2.1E2 85.0248 1.5E2 95.0143 1.5E2 101.0241 4.5E2 113.0242 2.7E2 123.0452 1.6E2 177.0566 1.2E2 179.0521 1.3E2 197.0385 3.0E2 229.0136 5.4E2 239.0645 1.0E2 277.0478 1.3E2 283.9586 1.0E2 294.0817 1.4E2 325.0682 1.5E2 340.0856 1.1E2 353.0338 1.6E2 END IONS BEGIN IONS FEATURE_ID=3967 PEPMASS=581.2202 SCANS=3967 RTINSECONDS=465.448 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0144 3.0E2 87.0043 1.4E2 89.0239 9.9E2 89.0683 1.4E2 101.0234 2.4E2 113.0242 3.7E2 119.0436 1.7E2 163.0687 1.3E2 167.0157 1.7E2 191.0475 1.2E2 195.0249 1.7E2 205.0553 1.3E2 227.0274 1.1E2 254.0680 1.0E2 256.4680 1.2E2 265.0627 1.3E2 343.1007 1.2E2 367.0320 2.9E2 END IONS BEGIN IONS FEATURE_ID=3968 PEPMASS=413.1453 SCANS=3968 RTINSECONDS=464.803 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0162 7.4E2 73.0322 1.3E2 75.0360 2.2E2 83.0125 1.7E2 101.0202 1.7E2 125.0262 1.3E2 129.0348 1.1E2 164.9227 1.4E2 201.0173 1.0E2 END IONS BEGIN IONS FEATURE_ID=3977 PEPMASS=174.0547 SCANS=3977 RTINSECONDS=465.448 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 101.5122 1.7E2 116.0488 2.9E2 117.0504 2.5E2 151.9537 1.7E2 707.2822 1.0E2 END IONS BEGIN IONS FEATURE_ID=3978 PEPMASS=163.0390 SCANS=3978 RTINSECONDS=466.674 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 16 (0 removed due to low quality, 15 removed due to low cosine). 91.0201 2.9E2 93.0328 3.8E2 119.0522 1.3E2 168.3584 1.0E2 END IONS BEGIN IONS FEATURE_ID=3991 PEPMASS=617.1974 SCANS=3991 RTINSECONDS=467.867 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 71.0164 1.2E2 72.0163 1.0E2 96.9581 1.1E2 101.0277 1.6E2 151.0366 1.2E2 159.0562 1.3E2 193.0553 1.3E2 194.8047 1.1E2 204.0814 1.1E2 221.1548 2.2E2 222.0278 2.0E2 222.1031 1.7E2 223.0902 1.6E2 387.1397 1.5E2 389.1531 1.3E2 END IONS BEGIN IONS FEATURE_ID=3997 PEPMASS=721.1972 SCANS=3997 RTINSECONDS=469.705 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 191.0431 1.2E2 273.0399 2.4E2 280.0378 1.3E2 297.0847 1.0E2 376.9440 1.2E2 380.0808 1.6E2 397.0841 1.2E2 493.2190 1.5E2 557.1533 2.0E2 631.1136 2.7E2 677.1100 7.6E2 677.1966 4.0E2 678.1024 3.1E2 678.1949 1.4E2 683.0450 1.4E2 683.2633 1.6E2 683.8768 1.3E2 721.1988 2.4E3 721.3038 3.3E2 721.3796 1.4E2 721.4343 1.4E2 722.2048 1.3E3 723.0604 2.1E2 723.1966 2.6E2 723.2700 1.3E2 770.8350 1.0E2 END IONS BEGIN IONS FEATURE_ID=4020 PEPMASS=617.2006 SCANS=4020 RTINSECONDS=474.577 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0259 2.2E2 101.0212 1.9E2 135.0464 1.2E2 225.0064 1.2E2 242.9862 1.8E2 263.1090 2.6E2 277.8239 1.6E2 278.8597 1.1E2 287.9050 1.8E2 305.0207 1.1E2 306.0228 1.6E2 333.0324 1.5E2 335.0606 3.0E2 349.0093 1.0E2 372.1594 1.3E2 383.0382 1.1E2 401.1652 1.1E2 402.9443 1.5E2 403.0012 1.6E2 404.1802 1.1E2 469.0758 2.6E2 473.6640 2.7E2 END IONS BEGIN IONS FEATURE_ID=4022 PEPMASS=651.1094 SCANS=4022 RTINSECONDS=474.959 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 82.2731 1.1E2 116.9251 2.4E2 196.0469 2.1E2 214.0705 1.1E2 221.8119 1.0E2 270.0454 1.3E2 283.0262 1.1E2 284.0309 1.3E2 285.0392 9.8E3 285.1777 2.0E2 285.1959 2.0E2 285.3093 1.2E2 285.6289 1.7E2 285.8403 1.1E2 286.0439 2.1E3 286.1367 1.5E2 286.1543 1.6E2 287.0417 4.1E2 288.0415 1.2E2 303.0138 1.0E2 311.0619 1.2E2 319.0473 1.3E2 587.3142 1.3E2 593.1531 2.2E3 594.1533 1.4E2 594.1658 2.7E2 595.1481 3.8E2 615.1241 1.8E2 END IONS BEGIN IONS FEATURE_ID=4023 PEPMASS=661.1367 SCANS=4023 RTINSECONDS=474.959 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.0200 1.2E2 151.9992 1.1E2 159.1656 1.9E2 198.0328 1.6E2 285.0391 3.2E3 285.1442 1.8E2 285.1879 1.3E2 286.0492 4.9E2 325.0180 2.6E2 367.0397 1.5E2 391.0294 1.2E2 395.0465 1.9E2 405.5583 1.5E2 416.2156 1.0E2 528.0252 1.0E2 573.2940 2.6E2 593.1596 3.6E2 594.1453 3.9E2 615.1186 1.5E2 617.1349 1.2E2 END IONS BEGIN IONS FEATURE_ID=4042 PEPMASS=324.0535 SCANS=4042 RTINSECONDS=477.661 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0103 1.0E2 78.9612 1.0E2 83.4276 1.1E2 97.0611 1.7E2 109.0082 1.6E2 124.0169 1.1E2 125.0056 1.4E2 126.0098 2.4E2 148.0160 2.3E2 148.5875 1.3E2 149.0144 1.5E2 162.0374 1.1E2 163.0346 1.6E2 164.0144 1.6E2 177.9950 1.2E2 179.0083 1.2E2 180.9918 2.9E2 189.0552 1.6E2 190.0115 1.5E2 206.0152 1.5E2 208.0067 1.2E2 221.0209 2.8E2 222.0230 1.0E2 244.2561 1.1E2 END IONS BEGIN IONS FEATURE_ID=4043 PEPMASS=721.1942 SCANS=4043 RTINSECONDS=477.661 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0154 1.3E2 90.0292 1.5E2 103.0433 1.2E2 231.0245 1.7E2 233.0834 1.6E2 259.0240 3.2E2 267.0661 1.3E2 303.0477 2.2E2 309.0770 2.0E2 310.0903 2.1E2 321.0282 1.2E2 325.0986 2.6E2 337.0675 2.4E2 353.0757 2.4E2 367.0458 1.7E2 371.1101 2.2E2 371.6488 1.2E2 397.0871 2.2E2 482.1098 1.9E2 497.1450 1.8E2 513.1398 1.0E2 581.0706 1.0E2 612.9195 1.2E2 706.1640 2.4E2 721.1886 1.1E2 776.2213 1.1E2 END IONS BEGIN IONS FEATURE_ID=4058 PEPMASS=363.1469 SCANS=4058 RTINSECONDS=481.941 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0281 1.9E2 97.0626 2.0E2 99.0240 2.6E2 106.0301 1.9E2 127.0209 6.2E2 138.0577 1.9E2 141.0638 4.5E2 145.0279 3.0E2 146.0364 1.5E2 175.0380 2.2E2 203.0682 8.3E2 203.1162 1.4E2 204.0736 2.5E2 211.0394 2.1E2 225.0580 1.1E2 260.3178 1.0E2 284.3681 1.1E2 287.0928 3.1E2 289.0661 1.2E2 301.1050 1.3E2 END IONS BEGIN IONS FEATURE_ID=4067 PEPMASS=405.1654 SCANS=4067 RTINSECONDS=485.618 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0278 1.5E2 69.0357 1.6E2 82.0297 1.9E2 97.0010 2.8E2 97.0286 1.0E2 108.0459 1.7E2 119.0452 1.7E2 124.0860 1.5E2 131.0362 1.3E2 135.0423 3.1E2 150.0287 1.7E2 189.0537 1.3E2 217.9819 1.3E2 223.2624 1.7E2 242.9050 2.3E2 244.0595 1.9E2 249.0620 1.3E2 252.0071 1.1E2 283.1424 1.8E2 302.0907 1.3E2 END IONS BEGIN IONS FEATURE_ID=4076 PEPMASS=539.2227 SCANS=4076 RTINSECONDS=489.267 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.9935 1.7E2 135.0424 3.9E2 173.0390 1.8E2 191.0494 1.4E2 273.6013 1.1E2 341.0614 1.5E2 END IONS BEGIN IONS FEATURE_ID=4078 PEPMASS=549.2541 SCANS=4078 RTINSECONDS=489.267 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0154 5.3E2 72.0154 1.0E2 73.0305 2.0E2 83.0138 2.9E2 84.0192 2.6E2 85.0302 1.1E2 89.0256 8.6E2 99.0058 1.3E2 101.0237 2.4E2 113.0229 3.3E2 125.9946 1.0E2 131.0354 3.4E2 159.0440 1.9E2 161.0420 1.7E2 191.0512 1.5E2 209.1443 2.8E2 293.0396 2.1E2 314.9694 2.0E2 405.0530 1.2E2 422.0660 1.3E2 END IONS BEGIN IONS FEATURE_ID=4089 PEPMASS=551.2081 SCANS=4089 RTINSECONDS=491.467 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0159 5.2E2 89.0244 6.9E2 119.0327 4.4E2 133.0270 1.4E2 137.0319 1.2E2 143.0298 1.4E2 149.0456 1.5E2 175.0426 1.1E2 216.0733 1.6E2 286.0828 1.6E2 294.0035 1.3E2 305.1042 2.4E2 311.0738 2.7E2 313.0816 2.0E2 327.0879 1.0E2 331.0197 1.3E2 331.0740 1.9E2 361.0271 2.5E2 371.1379 1.6E2 393.1701 1.3E2 399.1537 1.7E2 483.9612 1.2E2 496.1812 1.2E2 506.1395 1.2E2 509.0319 1.5E2 533.1641 3.0E2 534.1747 1.1E2 551.2530 1.6E2 553.2420 1.7E2 554.2719 1.7E2 586.4951 1.4E2 740.1844 1.2E2 END IONS BEGIN IONS FEATURE_ID=4096 PEPMASS=755.2393 SCANS=4096 RTINSECONDS=491.803 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 87.0051 1.6E2 89.0259 1.8E2 95.0118 1.8E2 109.0248 1.2E2 113.0245 6.4E2 133.0254 1.4E2 135.0477 2.4E2 136.0458 2.6E2 161.0225 2.8E3 161.1395 1.7E2 162.0295 2.2E2 163.0317 1.3E2 179.0432 2.1E2 191.0547 1.3E2 327.0471 1.6E2 329.0884 1.1E2 337.0180 1.0E2 461.1712 3.5E2 462.1950 1.2E2 463.0658 1.3E2 474.0818 1.3E2 552.4254 1.6E2 593.2054 4.0E2 594.2170 4.7E2 755.2409 8.1E2 756.2391 4.3E2 773.9476 1.3E2 END IONS BEGIN IONS FEATURE_ID=4099 PEPMASS=651.1066 SCANS=4099 RTINSECONDS=492.41 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 282.9405 1.1E2 283.0183 3.1E2 284.0284 2.3E2 285.0398 8.6E3 285.2846 1.3E2 285.9563 2.0E2 286.0404 1.4E3 303.0084 1.3E2 327.0497 3.1E2 365.0114 1.6E2 593.1506 2.7E3 593.3625 1.0E2 594.1417 3.2E2 594.1547 6.7E2 595.1739 2.4E2 595.1902 1.3E2 604.9687 1.1E2 720.3006 1.8E2 END IONS BEGIN IONS FEATURE_ID=4108 PEPMASS=593.1487 SCANS=4108 RTINSECONDS=495.038 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 63.0226 2.0E2 109.0296 2.7E2 121.0275 2.1E2 125.0371 2.6E2 133.0266 5.6E2 133.0323 1.4E2 149.9949 1.3E2 151.0000 1.2E2 174.0549 1.4E2 175.0351 1.8E2 175.0408 1.3E2 199.0362 5.1E2 201.0084 1.4E2 217.0409 1.5E2 217.0617 1.7E2 241.0467 1.1E2 243.0209 1.4E2 243.0343 1.5E2 255.0289 1.1E2 257.0340 1.2E2 268.0341 1.2E2 281.9415 1.0E2 284.0315 5.3E3 284.1161 1.2E2 285.0373 7.2E4 285.1807 3.3E2 285.1908 3.9E3 285.8541 1.4E2 285.9660 1.0E2 285.9776 1.0E2 286.0434 1.6E4 286.1437 3.6E2 286.1918 1.4E2 286.2013 4.5E2 286.2851 1.9E2 286.5911 1.0E2 286.6209 1.1E2 286.8075 1.3E2 286.8442 1.2E2 287.0466 2.6E3 287.0949 1.6E2 287.2005 1.3E2 287.6652 1.5E2 288.0451 1.8E2 328.0505 3.6E2 328.0719 1.2E2 358.0481 1.8E2 385.1255 1.1E2 447.0845 1.5E2 583.0677 1.2E2 586.9331 1.6E2 587.1848 1.9E2 587.7500 1.1E2 591.1069 1.1E2 593.1464 3.3E4 593.2570 1.5E2 594.1498 1.2E4 594.2227 1.0E2 594.3316 3.0E2 594.7132 1.1E2 594.7473 1.5E2 594.9221 2.3E2 595.1550 3.9E3 595.2591 2.2E2 595.2792 1.8E2 595.3274 1.4E2 595.3763 1.3E2 596.1560 4.8E2 596.2194 1.1E2 596.6214 1.1E2 597.9800 1.1E2 654.6632 2.7E2 END IONS BEGIN IONS FEATURE_ID=4110 PEPMASS=661.1347 SCANS=4110 RTINSECONDS=495.038 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 137.0152 1.0E2 161.0207 2.0E2 229.0061 1.5E2 284.0320 2.9E2 285.0399 2.8E3 285.1738 1.1E2 286.0441 7.1E2 307.0233 2.0E2 310.0273 1.4E2 367.0322 1.3E2 379.0264 1.3E2 405.0239 1.1E2 421.0392 1.1E2 447.0860 2.0E2 477.1169 1.2E2 593.1510 8.6E2 594.1385 2.7E2 595.1675 3.1E2 596.1556 1.2E2 763.1556 2.1E2 END IONS BEGIN IONS FEATURE_ID=4117 PEPMASS=756.2425 SCANS=4117 RTINSECONDS=496.871 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 161.0185 1.8E2 162.0254 1.4E2 179.0298 2.1E2 315.0413 1.4E2 361.2183 1.2E2 420.4111 1.3E2 462.1760 1.6E2 594.2163 2.5E2 743.1619 1.2E2 756.2376 3.8E3 756.4490 1.4E2 757.2454 9.0E2 758.2399 3.4E2 758.3249 1.3E2 END IONS BEGIN IONS FEATURE_ID=4136 PEPMASS=607.1293 SCANS=4136 RTINSECONDS=503.279 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0056 2.1E2 75.7100 1.7E2 89.0280 1.1E2 99.0433 3.1E2 128.1632 1.3E2 178.9955 1.5E2 227.0323 2.6E2 248.0905 1.2E2 274.0658 1.1E2 283.0398 1.2E2 299.0189 6.0E2 300.0170 1.8E2 301.0348 1.6E3 301.1824 1.1E2 302.0436 1.8E2 338.9716 1.6E2 343.0437 1.7E2 429.9486 1.2E2 452.0928 1.0E2 539.0499 2.0E2 571.0319 2.1E2 607.1290 1.8E3 607.2967 1.3E2 608.1366 1.1E3 608.2396 2.0E2 609.1440 5.0E3 609.3357 2.7E2 609.4270 1.7E2 610.1466 8.8E2 610.2870 1.3E2 610.3568 1.6E2 END IONS BEGIN IONS FEATURE_ID=4153 PEPMASS=653.1081 SCANS=4153 RTINSECONDS=508.783 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9948 1.3E2 89.0234 2.2E2 123.0445 2.8E2 125.0218 1.2E2 152.0094 1.4E2 175.0424 1.6E2 284.0151 1.4E2 285.0397 1.8E3 285.1659 1.1E2 286.0393 9.8E2 286.9026 1.3E2 291.0811 1.3E2 446.9839 1.5E2 458.7033 1.2E2 593.1475 9.7E2 594.1435 1.8E2 595.1479 3.5E2 END IONS BEGIN IONS FEATURE_ID=4156 PEPMASS=395.1369 SCANS=4156 RTINSECONDS=510.226 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 71.0515 1.7E2 157.0277 2.5E2 160.0113 1.3E2 161.0780 3.0E2 173.0215 1.8E2 175.0381 7.7E2 177.0281 3.2E2 195.1505 1.3E2 203.0354 7.3E2 203.0675 2.4E2 203.1054 1.3E2 204.0216 2.0E2 219.0267 4.4E2 219.0624 1.4E2 220.0171 2.3E2 222.9596 1.7E2 419.1327 1.3E2 795.1071 1.9E2 END IONS BEGIN IONS FEATURE_ID=4161 PEPMASS=339.0504 SCANS=4161 RTINSECONDS=511.408 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 134.0351 2.4E2 135.0418 2.1E2 145.0303 1.1E2 157.0229 2.6E2 169.0589 1.3E2 201.3141 1.3E2 221.1157 1.4E2 224.0436 2.2E2 226.0584 1.9E2 229.0055 1.4E2 232.0543 2.5E2 238.0569 2.1E2 239.0350 1.3E2 240.0762 1.0E2 248.0405 3.1E2 249.0548 4.2E2 261.0537 1.3E2 265.0569 1.0E2 266.0469 2.7E2 277.0548 1.8E2 292.0304 1.0E2 417.7147 2.6E2 425.1292 1.1E2 END IONS BEGIN IONS FEATURE_ID=4173 PEPMASS=651.1063 SCANS=4173 RTINSECONDS=514.022 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 260.9102 2.5E2 285.0356 4.8E3 285.1877 2.0E2 286.0409 7.8E2 297.0404 2.3E2 309.0276 1.5E2 368.0132 1.9E2 425.1316 1.5E2 593.1452 1.4E3 593.3430 1.5E2 594.1491 4.1E2 595.1511 3.2E2 596.1867 1.1E2 END IONS BEGIN IONS FEATURE_ID=4201 PEPMASS=607.1268 SCANS=4201 RTINSECONDS=522.795 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 125.0177 2.6E2 138.0197 1.6E2 150.9945 1.2E2 197.9885 1.9E2 212.0491 1.0E2 213.0212 1.6E2 229.0481 2.5E2 231.0305 1.9E2 242.0201 1.2E2 255.0331 5.2E2 257.0474 1.3E2 260.4628 1.3E2 270.0207 1.9E2 271.0246 1.1E3 271.0965 1.0E2 285.0455 1.4E2 297.2611 1.2E2 298.0116 2.2E2 299.0183 1.1E3 300.0246 2.3E3 300.1793 1.3E2 301.0317 3.0E3 301.1717 1.6E2 302.0378 4.2E2 357.1127 1.0E2 407.1356 1.2E2 503.1071 2.0E2 607.1213 4.9E2 608.1257 1.0E2 609.1436 2.5E2 610.1290 2.0E2 END IONS BEGIN IONS FEATURE_ID=4211 PEPMASS=595.1389 SCANS=4211 RTINSECONDS=525.543 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0250 2.5E2 102.9558 1.1E2 107.0459 1.3E2 109.0249 1.6E2 134.0329 3.8E2 135.0473 2.4E2 149.0637 1.8E2 153.0178 1.2E2 160.0148 2.2E2 175.0366 1.7E3 175.1574 1.0E2 176.0425 4.3E2 178.0246 1.9E2 179.0463 1.2E2 182.0849 1.7E2 193.0462 9.0E2 193.0921 1.1E2 203.0264 1.4E2 204.0746 1.4E2 215.0275 1.7E2 218.0608 2.2E2 228.1196 1.1E2 265.0553 1.4E2 266.0703 2.5E2 267.0994 1.2E2 273.0779 1.3E2 282.0718 1.7E2 289.9996 1.3E2 291.0581 2.9E2 293.0582 2.5E2 313.1035 1.4E2 318.0368 2.6E2 331.0008 1.0E2 335.0506 5.8E2 337.0878 1.3E2 361.1163 1.2E2 370.0132 1.1E2 370.9873 1.2E2 584.9760 1.4E2 826.5991 1.3E2 END IONS BEGIN IONS FEATURE_ID=4214 PEPMASS=537.1031 SCANS=4214 RTINSECONDS=526.22 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9941 9.9E2 77.2078 1.1E2 109.0289 3.9E2 123.0411 1.6E2 124.0509 3.4E2 135.0452 7.9E2 136.0501 1.5E2 159.0378 1.5E2 160.0495 1.6E2 179.0282 2.8E2 197.0400 4.4E2 197.0803 1.1E2 203.0289 1.6E2 229.0128 2.9E2 230.0147 1.6E2 239.0627 1.8E2 252.0791 1.2E2 267.0599 5.2E2 268.0637 3.2E2 269.0747 4.6E2 271.0873 1.3E2 277.0477 1.5E2 293.0345 2.5E2 294.0608 2.7E2 295.0514 4.3E2 297.0707 1.5E2 313.0669 1.2E2 343.0186 1.6E2 537.0093 1.0E2 541.5641 1.2E2 END IONS BEGIN IONS FEATURE_ID=4221 PEPMASS=661.1341 SCANS=4221 RTINSECONDS=528.093 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 199.0360 1.9E2 209.0773 1.2E2 239.6193 1.0E2 285.0444 4.1E2 593.1483 2.3E3 593.3098 1.2E2 593.3802 1.2E2 594.1534 1.4E3 594.9668 1.2E2 599.1387 1.1E2 615.1002 2.6E2 616.1214 1.7E2 618.1152 1.0E2 624.1503 1.0E2 627.3174 1.1E2 646.0609 1.0E2 661.1316 1.4E2 662.1807 1.0E2 END IONS BEGIN IONS FEATURE_ID=4237 PEPMASS=339.0508 SCANS=4237 RTINSECONDS=530.873 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 106.9555 1.2E2 109.0299 2.0E2 135.0403 1.3E2 136.0501 1.1E2 145.0357 1.0E2 149.0969 1.6E2 160.0366 1.4E2 179.0302 1.4E2 185.0256 1.2E2 193.0673 1.3E2 229.0143 1.2E3 231.0258 1.8E2 232.0516 1.5E2 238.0847 1.0E2 268.0708 1.3E2 269.0720 1.3E2 277.0527 3.3E2 293.0477 2.0E2 295.0573 1.1E3 295.1446 1.1E2 296.0630 4.6E2 339.0517 4.4E2 340.0538 1.2E2 395.9235 1.2E2 END IONS BEGIN IONS FEATURE_ID=4239 PEPMASS=539.2245 SCANS=4239 RTINSECONDS=530.873 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0180 1.0E2 109.0350 1.5E2 135.0473 1.2E2 136.0454 3.1E2 197.0462 1.1E2 254.0482 1.2E2 268.0719 2.2E2 271.0696 2.1E2 283.0764 1.8E2 326.0635 1.2E2 END IONS BEGIN IONS FEATURE_ID=4244 PEPMASS=549.2544 SCANS=4244 RTINSECONDS=533.374 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0142 6.1E2 89.0243 7.5E2 99.0086 1.1E2 101.0227 3.3E2 113.0213 3.6E2 135.0404 1.4E2 233.0612 1.3E2 235.0866 2.6E2 270.0413 1.2E2 315.9104 1.5E2 385.1518 2.0E2 END IONS BEGIN IONS FEATURE_ID=4260 PEPMASS=587.1893 SCANS=4260 RTINSECONDS=538.786 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 113.0187 1.7E2 119.0347 2.2E2 178.0747 1.9E2 411.0100 1.3E2 411.9856 1.5E2 551.2118 1.4E2 552.2047 1.5E2 553.0068 1.0E2 588.2072 1.7E2 589.1748 1.0E2 623.1127 1.2E2 END IONS BEGIN IONS FEATURE_ID=4269 PEPMASS=487.0670 SCANS=4269 RTINSECONDS=538.982 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9908 1.5E2 97.0292 1.8E2 121.0262 3.5E2 123.0548 1.1E2 136.0473 1.4E2 152.0510 1.0E2 179.9495 1.4E2 197.0347 1.6E2 214.0327 1.1E2 237.0604 2.8E2 247.0224 1.6E2 248.0467 1.0E2 264.0592 1.0E2 265.0494 1.1E3 265.1201 1.3E2 266.0583 3.7E2 267.0613 2.4E2 267.0964 1.4E2 274.0385 1.4E2 281.0447 7.0E2 282.0546 2.8E2 294.0513 1.2E2 307.0311 1.0E2 309.0358 2.6E2 310.0544 1.3E2 311.0596 7.1E2 312.0501 2.4E2 END IONS BEGIN IONS FEATURE_ID=4280 PEPMASS=551.2135 SCANS=4280 RTINSECONDS=544.025 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0146 4.0E2 89.0285 3.5E2 101.0221 1.8E2 179.0334 1.1E2 205.0461 2.3E2 219.0643 2.0E2 222.0845 1.2E2 310.1252 1.5E2 326.1075 2.4E2 END IONS BEGIN IONS FEATURE_ID=4291 PEPMASS=587.1869 SCANS=4291 RTINSECONDS=548.36 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.9863 1.3E2 89.0205 5.8E2 153.0554 1.3E2 205.0512 1.7E2 239.0753 1.8E2 293.0669 2.4E2 296.0940 1.2E2 313.0463 1.6E2 326.1004 2.3E2 349.9857 1.4E2 350.9163 1.0E2 END IONS BEGIN IONS FEATURE_ID=4293 PEPMASS=667.1047 SCANS=4293 RTINSECONDS=548.734 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 112.9819 1.7E2 121.0152 1.5E2 130.9584 1.8E2 151.0013 1.5E2 165.0176 1.1E2 174.9567 1.2E2 179.0005 2.4E2 207.0228 1.1E2 243.0297 1.7E2 255.0364 2.2E2 271.0267 4.1E2 274.0358 1.3E2 277.9132 2.1E2 283.0255 2.2E2 300.0276 5.7E3 300.1113 3.0E2 300.1340 1.5E2 300.1810 1.1E2 300.1872 1.4E2 301.0334 4.0E3 301.1907 1.1E2 301.2061 1.0E2 302.0337 6.6E2 302.0407 2.1E2 302.2085 1.0E2 302.4279 1.1E2 315.0503 1.3E2 335.0494 1.3E2 341.0084 2.4E2 343.0390 1.8E2 373.9978 1.3E2 377.0194 1.0E2 382.0221 1.1E2 383.0163 1.0E2 385.0334 1.2E2 395.0175 1.2E2 433.1622 1.8E2 553.0281 1.7E2 580.1287 1.3E2 591.2489 1.1E2 609.1344 9.8E2 609.1494 6.2E2 609.2415 1.1E2 610.1382 6.6E2 610.1581 2.5E2 611.1361 1.1E2 624.1940 1.0E2 END IONS BEGIN IONS FEATURE_ID=4296 PEPMASS=591.1354 SCANS=4296 RTINSECONDS=549.093 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 63.0255 1.1E3 65.0072 6.1E2 71.4663 1.1E2 73.0310 5.0E2 77.0381 1.0E2 82.0080 2.2E2 83.0126 4.8E2 83.0442 1.0E2 84.0196 1.6E2 87.0484 1.2E2 87.4940 2.0E2 95.0162 3.3E2 95.5342 1.2E2 100.5413 1.1E2 104.0246 1.6E2 105.0333 6.7E2 105.8145 1.1E2 107.0152 1.5E3 107.0442 1.2E2 108.0229 2.0E2 108.9878 1.2E2 109.0324 7.2E2 110.4887 1.1E2 111.0142 2.7E2 115.0492 2.7E2 121.0315 4.2E2 122.0010 1.8E2 123.0452 1.1E2 131.0388 1.1E2 132.0209 6.1E2 133.0301 5.0E3 133.1339 1.9E2 133.1654 1.4E2 134.0357 5.3E2 134.0453 1.7E2 134.0717 1.4E2 135.0463 3.9E2 136.0468 1.1E2 136.4397 1.2E2 136.7922 1.4E2 139.0352 1.4E2 141.0699 2.6E2 143.0346 2.4E2 144.8803 1.8E2 145.0316 1.1E2 147.0730 2.1E2 147.7242 1.2E2 147.9321 1.2E2 148.0131 1.6E2 149.0249 1.6E3 149.0987 1.0E2 150.0246 1.8E2 151.0051 4.2E3 151.0358 1.3E2 151.1194 1.2E2 151.1426 1.2E2 151.1852 1.2E2 151.2813 1.3E2 151.4017 1.2E2 152.0087 1.9E2 154.0340 1.9E2 156.0552 1.5E2 158.0597 1.5E2 159.0475 2.0E2 161.0210 1.4E2 161.0601 1.5E2 163.0055 2.5E2 164.0518 1.1E2 167.0453 1.1E2 168.6189 1.9E2 169.0701 2.4E2 171.0450 4.1E2 172.0528 3.1E2 173.0643 3.2E2 174.0377 1.8E2 175.0404 2.4E3 176.0166 2.1E2 176.8491 1.3E2 177.0165 7.0E2 183.0496 1.4E2 183.8277 1.4E2 185.0609 5.3E2 187.0416 2.8E2 188.0528 1.7E2 189.0188 5.4E2 189.0513 2.2E2 195.0416 2.8E2 197.0183 1.5E2 197.0631 3.3E2 198.0326 2.1E2 198.0699 1.2E2 199.0424 1.8E3 199.0475 1.6E2 199.1257 1.1E2 200.0500 5.2E2 201.0127 2.9E2 201.0218 7.5E2 201.0559 2.6E2 201.1251 1.4E2 210.0275 1.5E2 211.0409 1.0E3 211.2842 2.0E2 212.0409 3.9E2 213.0240 1.1E2 213.0563 1.2E3 214.0291 2.1E2 215.0447 1.7E2 215.6436 1.9E2 217.0519 2.0E3 217.8192 1.2E2 219.4351 1.2E2 220.0278 1.6E2 223.0454 3.8E2 226.0534 1.9E2 227.0375 9.5E2 228.0493 1.3E2 229.0520 4.0E2 231.0387 1.5E2 233.0481 2.0E2 237.0647 2.2E2 239.0419 5.4E2 240.0493 1.2E2 241.0534 1.6E3 241.1206 2.1E2 242.0498 3.3E2 242.0993 1.2E2 243.0186 1.6E2 243.0302 7.9E2 243.0751 1.8E2 246.9802 2.5E2 251.0363 1.2E2 253.0349 1.1E2 253.0552 1.9E2 255.0301 1.8E3 255.1148 1.3E2 256.0380 1.7E3 256.1256 1.6E2 256.2352 1.2E2 257.0475 8.6E2 259.0635 1.2E2 259.2120 1.3E2 267.0310 3.8E2 268.0367 1.0E2 268.3142 1.5E2 268.4775 2.5E2 268.8351 1.2E2 269.0429 5.8E2 269.0484 2.0E3 269.1133 1.9E2 269.1500 1.4E2 270.0496 1.1E2 270.0683 1.3E2 279.4839 1.5E2 281.0589 2.0E2 281.3460 1.2E2 281.5145 1.4E2 281.9761 1.0E2 282.0571 7.4E2 282.1371 2.2E2 282.1977 8.8E2 282.2425 1.0E2 282.2915 1.7E2 282.3099 5.5E2 282.3684 5.9E2 282.3791 1.9E2 282.4357 1.8E2 282.5059 6.1E2 282.5360 2.1E2 282.6039 1.0E2 282.6421 5.9E2 282.7097 1.5E2 282.7182 6.5E2 282.8142 4.4E2 282.9128 4.5E2 283.0248 3.2E3 283.0306 1.7E3 283.1131 3.6E2 283.1524 7.4E2 283.1638 2.5E2 283.2372 2.0E2 283.2584 5.9E2 283.3384 1.5E2 283.3911 6.0E2 283.4213 1.1E2 283.5027 1.3E2 283.5663 5.0E2 283.6088 4.2E2 283.6358 1.6E2 283.6799 4.3E2 283.7279 2.5E2 283.7639 4.3E2 283.8275 1.7E2 283.8743 4.3E2 283.9081 1.9E2 284.0346 7.8E4 284.1808 4.3E2 284.3830 1.7E2 284.5531 1.9E2 285.0421 1.3E6 285.1943 7.2E4 285.8822 3.2E2 285.9295 1.6E2 286.0466 1.7E5 286.8948 1.8E2 286.9109 2.7E2 286.9545 3.3E2 287.0463 9.3E3 287.1781 4.4E2 287.1937 1.8E2 287.2453 3.5E2 287.2573 2.0E2 287.3542 1.3E2 287.3717 4.1E2 287.4194 2.3E2 287.4474 2.9E2 287.4745 1.0E2 287.5195 4.3E2 287.6692 4.7E2 287.7914 2.8E2 287.8418 1.7E2 287.8898 4.1E2 287.9777 4.3E2 288.0065 1.4E2 288.0552 3.4E2 288.1602 1.6E2 288.2819 6.3E2 288.4400 2.1E2 288.4670 1.5E2 288.5849 1.9E2 288.6007 1.8E2 288.6541 1.3E2 288.7250 4.1E2 288.8336 2.7E2 288.8452 1.7E2 288.9132 2.3E2 289.0033 1.2E2 289.0472 1.4E2 289.0904 2.0E2 289.2098 2.7E2 289.3373 1.2E2 289.4255 3.0E2 289.5024 1.0E2 289.6289 2.8E2 289.7459 2.3E2 289.7988 2.4E2 289.9655 2.5E2 290.0338 2.1E2 290.0836 1.0E2 290.1007 2.5E2 290.2045 2.6E2 290.3128 1.6E2 290.4006 2.4E2 290.9311 3.7E2 291.2243 2.5E2 291.2636 1.7E2 291.3858 1.5E2 291.4226 2.6E2 291.6200 2.0E2 291.7183 3.3E2 291.7826 1.9E2 291.9841 2.3E2 292.2690 2.2E2 292.3689 1.5E2 292.4788 2.4E2 292.5564 1.5E2 292.7245 2.3E2 292.8988 1.5E2 293.0334 1.9E2 293.1564 1.5E2 293.3385 2.0E2 293.5445 2.1E2 293.6505 2.0E2 293.7909 1.8E2 294.0303 2.4E2 294.1262 1.5E2 294.2424 1.8E2 294.3387 1.9E2 294.3485 2.1E2 294.4369 1.8E2 294.5424 1.6E2 294.6496 1.4E2 294.7072 2.0E2 294.8070 1.7E2 294.9171 1.5E2 295.0342 1.7E2 295.1429 1.2E2 295.2671 1.3E2 295.3486 1.4E2 295.4917 1.6E2 295.7000 1.5E2 295.7925 1.9E2 295.8975 1.6E2 296.0430 4.1E2 296.1331 1.4E2 296.1989 1.5E2 296.2946 2.0E2 296.4442 1.1E2 296.6610 2.0E2 296.7905 1.1E2 296.8407 1.4E2 296.8949 1.2E2 296.9720 1.3E2 297.0422 1.0E3 297.3979 1.5E2 297.6209 1.3E2 297.6960 1.3E2 297.7548 1.3E2 297.8356 1.4E2 298.0559 1.2E3 298.1938 1.9E2 298.2584 1.3E2 298.3556 1.3E2 298.4112 1.3E2 298.5024 1.1E2 298.5598 1.0E2 299.0584 2.4E3 299.1685 2.8E2 299.2216 1.6E2 299.4339 1.5E2 299.6230 1.3E2 299.8228 1.2E2 300.0472 4.3E2 300.1420 1.5E2 300.2734 1.2E2 300.3315 1.4E2 300.4611 1.3E2 300.6822 1.2E2 300.7813 1.2E2 300.8602 1.2E2 301.0923 1.1E2 301.4085 1.1E2 301.5956 1.3E2 301.8371 1.0E2 301.8537 1.1E2 302.3218 1.1E2 302.5990 1.4E2 302.7097 2.4E2 302.7765 1.0E2 302.9724 1.1E2 304.2389 1.1E2 304.4658 1.1E2 305.5808 1.0E2 305.9437 1.2E2 306.2546 1.0E2 306.5103 1.1E2 306.5788 1.1E2 306.9115 1.3E2 307.0218 1.7E2 307.0679 1.1E2 307.4382 1.1E2 308.1580 1.4E2 308.3536 1.5E2 309.0448 2.0E2 309.1902 1.0E2 309.3036 1.2E2 310.0594 2.0E2 310.5225 1.0E2 311.2052 1.0E2 311.6016 1.7E2 311.8897 1.3E2 312.9806 1.7E2 313.0396 3.9E2 313.0910 1.6E2 317.4199 1.0E2 317.7118 1.2E2 318.0698 2.3E2 320.1534 1.1E2 323.0732 1.4E2 323.9208 1.0E2 324.0034 1.1E2 325.0024 1.2E2 327.0542 1.1E4 327.2071 5.0E2 327.3258 1.5E2 327.5827 1.2E2 328.0561 1.6E3 328.1017 2.6E2 328.1920 1.2E2 328.3187 1.1E2 328.3955 1.5E2 328.5489 1.1E2 328.7321 2.4E2 328.9022 1.1E2 330.4435 1.0E2 335.0531 1.3E2 336.6630 1.4E2 338.1467 1.1E2 339.0534 3.2E2 340.0532 1.4E2 341.0645 3.3E2 342.3876 1.3E2 342.5361 1.2E2 343.0538 1.1E2 345.5146 1.0E2 347.1415 1.2E2 348.0022 1.0E2 351.0417 1.1E2 353.0766 1.3E2 356.9754 1.1E2 357.0609 7.0E2 369.0627 2.7E2 377.7876 2.6E2 383.0703 1.3E2 393.0650 1.0E2 401.2305 1.1E2 420.7940 2.7E2 431.1019 3.1E2 437.0575 1.5E2 447.0989 4.1E3 448.1052 1.2E3 448.2328 1.0E2 448.5227 1.3E2 474.8948 1.2E2 475.0861 1.4E2 484.4705 1.0E2 488.6546 1.0E2 508.2560 2.9E2 528.0645 1.2E2 533.0951 1.8E2 575.1366 1.7E2 581.5350 1.1E2 586.4905 2.5E2 586.7176 5.2E2 586.8292 5.9E2 587.0279 7.0E2 587.2173 4.0E2 587.3002 1.2E2 587.3548 4.4E2 587.6643 5.3E2 587.9328 5.5E2 588.0319 5.1E2 588.1197 4.0E2 588.2274 3.3E2 588.4278 4.4E2 588.5205 3.8E2 588.7073 4.7E2 588.9333 2.9E2 589.1150 4.0E2 589.3440 4.1E2 589.4856 4.0E2 589.5654 2.1E2 589.6160 2.5E2 589.6987 1.7E2 589.7750 3.0E2 589.9667 2.7E2 590.3584 3.1E2 590.8233 3.9E2 590.9549 3.7E2 591.1215 1.7E2 591.3763 5.4E2 591.7879 3.1E2 591.8750 4.2E2 592.0079 2.9E2 592.1407 9.1E2 592.1922 1.7E2 592.2495 2.5E2 592.4567 3.6E2 593.1563 8.9E5 593.3715 5.2E4 594.1602 2.4E5 595.1627 2.4E4 595.2375 3.7E2 595.3244 1.8E2 595.4003 6.1E2 595.4787 1.9E2 595.5414 7.0E2 595.6500 3.7E2 595.6840 3.1E2 595.8678 6.0E2 595.9973 2.7E2 596.0117 1.3E2 596.1373 5.3E2 596.2832 5.5E2 596.3717 5.1E2 596.4075 2.0E2 596.4286 4.0E2 596.5316 4.4E2 596.5994 1.8E2 596.7117 3.0E2 596.8166 3.3E2 596.9231 2.6E2 597.0493 2.0E2 597.1591 2.4E2 597.2760 2.6E2 597.4229 3.3E2 597.4859 2.0E2 597.7383 2.8E2 597.9678 1.2E2 598.0884 2.9E2 598.2875 2.4E2 598.3695 2.3E2 598.4650 1.8E2 598.6685 1.4E2 598.7971 1.4E2 598.8237 1.8E2 598.9480 2.2E2 599.0171 1.7E2 599.0854 1.0E2 599.1858 2.2E2 599.4645 2.2E2 599.6388 2.3E2 599.8054 3.1E2 599.9635 1.7E2 600.0375 3.0E2 600.2322 2.6E2 600.7006 3.0E2 601.0695 2.9E2 601.2910 3.7E2 601.4478 2.7E2 601.5273 2.2E2 601.5820 2.1E2 601.6905 2.3E2 601.9739 2.7E2 602.3632 2.8E2 602.4705 1.6E2 602.5355 2.2E2 602.6051 2.7E2 602.8003 2.3E2 602.8972 1.7E2 603.0755 2.2E2 603.2500 1.9E2 603.4528 1.7E2 603.8126 2.2E2 603.9608 1.3E2 604.1473 2.4E2 604.3427 2.3E2 604.5117 2.4E2 604.6694 1.7E2 604.7935 1.8E2 604.9835 2.6E2 605.1061 2.5E2 605.2415 1.4E2 605.4786 1.7E2 605.6918 1.3E2 605.8230 1.4E2 606.1714 2.1E2 606.4957 1.7E2 606.5871 1.1E2 606.7002 1.5E2 606.8068 1.6E2 606.9527 1.4E2 607.0768 1.0E2 607.3224 1.3E2 607.4541 2.5E2 607.5384 1.1E2 607.6038 1.6E2 607.7374 1.4E2 607.8676 1.8E2 607.9725 1.2E2 608.1540 1.8E2 608.3651 1.8E2 608.5049 1.7E2 608.6086 1.6E2 608.7113 1.5E2 608.8833 1.9E2 609.1807 1.1E2 609.5681 1.3E2 609.7263 1.4E2 609.8052 1.4E2 609.9454 1.2E2 610.1636 1.1E2 610.2519 1.2E2 610.4381 2.0E2 610.9701 1.5E2 611.3515 1.3E2 611.5871 1.2E2 611.8096 1.1E2 611.9805 1.8E2 612.2249 1.2E2 612.3765 1.1E2 612.5536 1.3E2 612.6450 1.5E2 612.9083 1.5E2 613.2326 1.2E2 613.4788 1.2E2 613.6132 1.3E2 613.6957 1.0E2 613.8815 1.1E2 614.0866 1.2E2 614.1731 1.5E2 614.6358 1.5E2 614.9820 1.3E2 615.1527 1.3E2 615.4138 1.3E2 615.7116 1.6E2 615.9677 1.2E2 616.1351 1.9E2 616.2303 1.3E2 616.9736 1.1E2 617.5155 1.0E2 617.6514 1.1E2 618.7499 1.4E2 619.0727 1.1E2 619.6659 1.1E2 620.5663 1.2E2 620.6843 1.2E2 620.7435 1.0E2 621.0585 1.1E2 621.9712 1.2E2 624.5295 1.4E2 625.4124 1.0E2 626.1934 1.1E2 626.4526 1.2E2 626.9014 1.0E2 629.1120 1.1E2 630.4429 1.1E2 630.9318 1.2E2 632.6437 1.1E2 633.0902 1.0E2 633.5951 1.1E2 634.0941 1.1E2 635.1193 1.1E2 636.3351 1.1E2 639.3746 1.1E2 644.5280 1.1E2 646.4553 1.3E2 647.9997 1.4E2 649.7686 1.1E2 650.2712 1.2E2 660.9775 1.8E2 662.3145 1.1E2 665.1850 1.2E2 672.8557 1.1E2 674.6117 1.2E2 684.8818 1.2E2 685.0558 1.2E2 687.5915 1.1E2 702.3217 1.0E2 706.5446 1.2E2 745.2362 1.3E2 751.8862 1.3E2 756.8963 1.2E2 761.0534 1.0E2 871.3192 1.1E2 877.0309 1.6E2 885.1292 1.3E2 908.5988 1.7E2 915.7089 1.8E2 950.2557 1.1E2 965.3341 1.5E2 977.5292 1.5E2 END IONS BEGIN IONS FEATURE_ID=4299 PEPMASS=589.1848 SCANS=4299 RTINSECONDS=550.642 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 90.0302 1.2E2 150.0361 1.9E2 172.0479 1.2E2 179.0538 2.0E2 279.0551 1.6E2 341.1281 1.2E2 363.0828 1.1E2 367.0367 1.4E2 371.1388 1.8E2 374.4686 1.3E2 412.9705 1.2E2 431.1239 2.4E2 499.0133 1.1E2 521.2000 2.0E2 543.1817 1.6E2 548.9713 1.7E2 551.2022 1.5E2 552.2050 1.1E2 553.2253 1.3E2 558.1828 1.0E2 589.1844 1.3E2 590.2061 1.3E2 591.1861 1.6E2 END IONS BEGIN IONS FEATURE_ID=4300 PEPMASS=551.2103 SCANS=4300 RTINSECONDS=550.642 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0131 2.7E2 89.0270 1.7E2 101.0225 2.3E2 113.0231 1.2E2 113.2094 1.1E2 119.0341 2.7E2 130.0855 1.8E2 135.0415 2.0E2 147.0432 1.2E2 173.0683 1.1E2 177.0151 1.8E2 219.0536 2.0E2 220.0684 4.3E2 257.0715 1.5E2 259.9986 1.7E2 267.0738 1.2E2 277.0477 1.0E2 309.0515 1.1E2 313.0891 1.4E2 326.1093 2.5E2 339.0394 1.7E2 356.1173 2.3E2 371.1381 1.2E2 END IONS BEGIN IONS FEATURE_ID=4313 PEPMASS=350.1230 SCANS=4313 RTINSECONDS=552.998 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0289 2.3E2 72.9939 2.1E2 74.0248 1.7E2 96.9583 2.2E2 100.0037 9.8E2 119.0494 2.1E2 123.0430 1.3E2 145.0261 1.2E3 145.0805 1.0E2 146.0420 7.2E2 158.0437 1.0E2 158.0794 1.4E2 164.0289 1.3E2 186.0695 1.0E2 204.0885 1.9E2 208.0070 1.8E2 309.1644 2.3E2 END IONS BEGIN IONS FEATURE_ID=4319 PEPMASS=593.1488 SCANS=4319 RTINSECONDS=554.733 CHARGE=1- MSLEVEL=2 MERGED_STATS=7 / 10 (0 removed due to low quality, 3 removed due to low cosine). 64.0251 2.0E2 79.0215 1.2E2 83.0143 1.1E2 107.0150 1.4E2 119.0459 2.6E2 131.0328 1.1E2 133.0278 3.4E2 134.0272 1.5E2 149.0158 2.9E2 151.0004 1.2E3 151.0068 4.8E2 162.9989 1.3E2 171.0428 1.7E2 172.0486 1.9E2 173.0611 2.5E2 175.0298 2.0E2 176.0414 1.9E2 193.0098 1.6E2 196.0440 1.0E2 199.0264 1.3E2 199.0353 1.2E2 199.0383 4.7E2 199.0441 1.1E2 217.0540 2.0E2 227.0308 1.3E2 239.0438 1.8E2 241.0362 1.3E2 241.0631 1.2E2 256.0313 2.3E2 257.0512 1.2E2 269.0441 2.1E2 283.0166 1.3E2 283.7252 1.4E2 284.0314 8.4E3 284.1071 1.7E2 284.1892 1.4E2 284.2875 1.2E2 284.6653 1.0E2 285.0391 1.4E5 285.1916 9.0E3 285.8637 1.2E2 285.9785 1.0E2 286.0437 2.8E4 286.1850 4.6E2 286.5276 1.9E2 286.5684 2.0E2 286.5824 1.8E2 286.6152 1.5E2 286.6461 1.2E2 286.7019 1.1E2 286.8668 1.3E2 286.8915 1.4E2 287.0464 5.5E3 287.0942 1.3E2 287.1208 1.0E2 287.1321 1.5E2 287.1477 1.2E2 287.2013 2.6E2 287.2071 1.3E2 287.2483 1.3E2 287.3328 1.4E2 287.4968 1.2E2 287.8384 1.4E2 288.0406 1.9E2 288.6758 1.0E2 297.0477 1.6E2 298.0498 1.5E2 299.0490 2.2E2 300.0540 1.1E2 309.0335 1.3E2 327.0460 8.5E2 327.0554 8.6E2 328.0579 4.4E2 330.0541 1.7E2 335.0453 1.1E2 368.2627 1.1E2 447.0945 1.2E2 593.1513 3.8E4 593.2876 1.3E2 593.3671 2.1E3 594.1543 1.5E4 594.2302 2.2E2 594.3536 4.3E2 594.6665 1.2E2 594.8070 1.2E2 595.1372 1.7E2 595.1603 4.3E3 595.1892 1.0E2 595.3733 1.6E2 595.6699 1.2E2 596.0011 1.6E2 596.0777 1.0E2 596.1668 8.0E2 END IONS BEGIN IONS FEATURE_ID=4337 PEPMASS=609.1447 SCANS=4337 RTINSECONDS=560.596 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 69.0011 1.8E2 89.0235 4.3E2 90.9026 1.1E2 135.0373 3.0E2 148.9206 1.4E2 151.0024 1.4E2 154.0291 1.3E2 162.9996 1.4E2 174.0421 1.7E2 178.9977 1.5E2 213.0467 1.1E2 255.0600 1.1E2 267.9647 1.5E2 271.0223 4.5E2 271.0768 1.2E2 282.0122 1.2E2 283.0199 3.4E2 300.0275 2.1E3 300.1892 1.0E2 301.0306 8.7E2 301.1263 1.1E2 302.0286 1.4E2 303.0422 2.3E2 311.0556 2.1E2 345.0449 1.2E2 351.0195 5.2E2 357.0596 2.7E2 367.9397 2.0E2 377.0320 1.2E2 384.9612 2.7E2 387.9915 1.0E2 415.2299 1.4E2 428.9391 1.4E2 484.9960 1.5E2 487.0686 1.1E2 514.0601 2.0E2 546.0469 1.8E2 609.1391 1.1E2 END IONS BEGIN IONS FEATURE_ID=4339 PEPMASS=395.1373 SCANS=4339 RTINSECONDS=562.752 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 135.0422 1.0E2 159.9639 1.0E2 161.0781 6.5E2 216.9503 1.1E2 219.0311 6.0E2 221.0342 1.5E2 301.1192 1.0E2 351.1535 1.5E2 363.1071 3.3E3 363.2798 1.4E2 364.1083 9.3E2 365.1163 2.6E2 668.1057 1.6E2 END IONS BEGIN IONS FEATURE_ID=4366 PEPMASS=661.1364 SCANS=4366 RTINSECONDS=571.14 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 130.0420 1.4E2 282.1244 1.4E2 285.0377 5.3E2 286.0500 1.3E2 353.1256 1.6E2 426.0022 1.0E2 426.1811 1.4E2 593.1537 3.2E3 593.3473 1.3E2 593.4509 1.0E2 594.1615 1.3E3 595.1587 4.6E2 596.1667 1.9E2 596.4370 1.1E2 615.1233 4.2E2 616.1241 3.8E2 617.1268 2.7E2 617.2050 1.1E2 661.1421 2.8E2 661.2551 1.2E2 776.0195 1.2E2 END IONS BEGIN IONS FEATURE_ID=4384 PEPMASS=489.0809 SCANS=4384 RTINSECONDS=575.11 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.9945 2.2E2 77.0380 1.1E2 91.0520 2.1E2 91.0687 1.1E2 123.0429 4.7E2 133.0285 5.7E2 134.0390 1.7E2 135.0426 2.2E3 135.1503 1.4E2 136.0434 1.2E2 151.0369 3.6E2 152.0455 1.5E2 157.0244 1.1E2 179.0360 1.9E2 180.0344 1.1E2 183.0421 1.3E2 204.0506 1.1E2 206.8740 1.1E2 209.0578 1.2E2 237.0520 1.9E2 238.0626 2.6E2 239.0675 1.3E2 249.0455 1.7E2 263.0374 2.2E2 263.0836 1.0E2 264.0374 1.9E2 265.0476 1.4E3 265.1798 1.1E2 266.0370 1.5E2 267.0663 3.1E3 267.1623 1.6E2 267.2873 1.1E2 268.0704 6.1E2 268.1226 1.0E2 280.0360 1.5E2 281.0413 1.0E3 281.1032 1.3E2 282.0478 2.9E2 295.0677 1.0E2 296.0576 2.1E2 309.0327 4.0E2 310.0432 2.1E2 311.0525 3.1E3 311.1522 1.7E2 312.0551 4.8E2 313.5288 1.6E2 324.0848 1.4E2 606.1667 1.4E2 END IONS BEGIN IONS FEATURE_ID=4396 PEPMASS=487.0655 SCANS=4396 RTINSECONDS=576.885 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 61.0293 2.3E2 72.9911 2.9E2 81.0360 5.7E2 105.0411 1.0E2 123.0409 2.2E2 135.0431 3.1E2 145.0344 2.6E2 149.0179 1.4E2 150.0353 1.1E2 151.0394 3.9E2 153.3519 1.8E2 197.0558 1.7E2 209.0609 3.4E2 219.0435 3.3E2 221.0680 2.4E2 225.0719 1.1E2 235.0369 1.7E2 236.0373 1.7E2 237.0534 4.1E2 248.0536 1.1E2 249.0440 1.6E2 264.0408 4.1E2 265.0477 1.3E3 266.0523 6.6E2 266.1067 1.7E2 267.0629 8.7E2 279.0135 1.8E2 280.0222 1.3E2 281.0441 1.0E3 282.0518 2.8E2 282.4163 1.2E2 309.0393 4.4E2 310.0374 2.3E2 311.0550 5.7E2 312.0576 2.5E2 END IONS BEGIN IONS FEATURE_ID=4406 PEPMASS=339.0500 SCANS=4406 RTINSECONDS=577.662 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 69.0354 1.3E2 109.0306 1.2E2 145.0252 2.1E2 157.0294 5.6E2 159.0426 4.2E2 161.0419 1.7E2 165.0628 1.6E2 169.0658 1.7E2 175.0514 1.3E2 179.0535 1.4E2 193.0608 1.2E2 197.9046 1.4E2 220.0469 1.7E2 221.0552 1.8E2 229.0127 1.1E2 233.0634 1.3E2 239.0747 1.6E2 248.0432 1.9E2 249.0667 1.1E2 250.0541 3.4E2 253.0503 1.1E2 264.0332 1.4E2 277.0401 1.2E2 278.0492 2.7E2 278.1028 1.4E2 293.0405 1.8E2 END IONS BEGIN IONS FEATURE_ID=4410 PEPMASS=491.0965 SCANS=4410 RTINSECONDS=579.402 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (2 removed due to low quality, 4 removed due to low cosine). 72.9913 2.8E2 82.0315 1.6E2 107.0478 2.1E2 123.0436 1.4E2 135.0443 1.5E3 159.0462 1.4E2 191.0376 1.7E2 203.0471 1.3E2 211.0766 1.6E2 212.0791 1.8E2 237.0405 1.5E2 242.0472 1.4E2 247.0313 1.3E2 249.0039 1.5E2 249.0418 2.6E2 265.0450 1.2E2 267.0640 2.3E3 267.7600 1.1E2 268.0621 2.7E2 294.0408 1.1E2 311.0494 1.8E3 312.0579 3.2E2 312.0682 1.2E2 END IONS BEGIN IONS FEATURE_ID=4411 PEPMASS=537.1022 SCANS=4411 RTINSECONDS=579.623 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 15 (5 removed due to low quality, 9 removed due to low cosine). 72.9951 6.9E2 111.0448 1.6E2 123.0430 2.7E2 135.0428 1.9E3 159.0443 4.6E2 159.0832 1.0E2 164.0451 1.6E2 176.0451 1.7E2 179.0324 8.6E2 180.0336 1.7E2 197.0436 6.9E2 203.0328 1.5E2 229.0149 1.6E2 231.0069 1.3E2 240.0394 1.9E2 243.1245 2.0E2 266.0536 1.6E2 267.0648 9.8E2 268.0751 1.2E2 269.0796 3.9E2 270.0835 1.3E2 277.0535 1.4E2 278.0525 1.2E2 293.0385 2.0E2 295.0573 5.0E2 295.1130 1.3E2 313.0603 1.2E2 339.0459 1.3E2 END IONS BEGIN IONS FEATURE_ID=4412 PEPMASS=635.0697 SCANS=4412 RTINSECONDS=580.074 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 72.9948 2.2E2 79.9563 2.6E2 96.9600 9.5E3 97.0130 1.5E2 97.0507 2.1E2 97.1012 1.2E2 98.9539 4.1E2 123.0484 1.4E2 135.0424 3.4E2 142.8742 1.5E2 158.0340 1.1E2 159.0467 1.2E2 181.0481 1.2E2 190.9449 1.6E2 197.0466 1.9E2 197.0569 1.7E2 219.0248 1.8E2 229.0074 3.1E2 229.0230 1.3E2 231.0153 2.4E2 269.0894 1.0E2 295.0575 4.6E2 295.0684 1.9E2 303.1088 1.4E2 311.0541 1.4E2 313.0676 4.0E2 335.0534 4.7E2 339.0388 2.3E2 339.0581 3.3E2 339.0663 1.7E2 364.0016 1.1E2 365.9834 4.3E2 368.5182 1.4E2 396.9773 2.4E2 405.9568 1.5E2 411.1383 1.0E2 414.0158 1.7E2 443.0350 1.5E2 447.1511 1.9E2 450.0155 1.5E2 470.0077 2.2E2 472.0317 2.0E2 484.9075 1.0E2 489.0205 1.6E2 511.0599 1.0E2 518.1872 1.4E2 549.9701 1.5E2 567.4552 1.4E2 591.0215 1.2E2 634.9763 1.1E2 635.0695 2.4E2 650.4159 1.1E2 792.1013 1.4E2 946.0648 1.0E2 END IONS BEGIN IONS FEATURE_ID=4439 PEPMASS=661.1331 SCANS=4439 RTINSECONDS=583.269 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.2720 1.1E2 112.9825 1.7E2 182.9856 1.6E2 284.0264 1.2E2 285.0355 2.8E3 285.1150 3.0E2 285.1848 1.6E2 286.0393 5.6E2 307.0197 1.5E2 367.0352 1.4E2 409.0408 2.2E2 508.9894 1.6E2 593.1535 4.5E2 615.1140 1.8E2 616.1141 1.9E2 617.0838 1.1E2 883.5529 1.6E2 END IONS BEGIN IONS FEATURE_ID=4444 PEPMASS=521.1998 SCANS=4444 RTINSECONDS=584.723 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 71.0139 6.4E2 85.0348 1.7E2 89.0246 5.1E2 131.0286 1.1E2 133.0286 1.9E2 135.0495 1.8E2 149.0380 1.3E2 161.0197 4.0E2 162.0229 1.3E2 171.0389 1.9E2 174.0662 1.3E2 209.0653 1.5E2 226.0514 1.0E2 264.0390 2.7E2 265.7902 1.0E2 266.0827 1.4E2 273.0486 1.1E2 276.0762 1.3E2 311.0638 1.5E2 312.1302 1.4E2 335.0490 1.0E2 END IONS BEGIN IONS FEATURE_ID=4445 PEPMASS=557.1773 SCANS=4445 RTINSECONDS=584.723 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 16 (0 removed due to low quality, 15 removed due to low cosine). 69.1177 1.2E2 85.0295 2.0E2 89.0243 5.0E2 135.0400 4.1E2 135.0648 1.8E2 159.0471 1.1E2 193.0498 2.4E2 289.0494 1.2E2 291.0609 2.3E2 335.0516 6.2E2 336.0390 1.4E2 339.0278 1.2E2 END IONS BEGIN IONS FEATURE_ID=4449 PEPMASS=623.1963 SCANS=4449 RTINSECONDS=584.783 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 69.0331 1.2E2 71.0136 5.0E2 85.0295 3.3E2 89.0259 1.0E3 112.8334 1.0E2 113.0214 1.2E3 113.0261 4.8E2 113.0454 1.7E2 113.0518 1.5E2 125.0181 1.3E2 132.0146 2.7E2 133.0284 1.6E3 135.0425 1.6E3 136.0485 2.4E2 150.9967 1.1E2 151.0033 1.5E2 151.0319 1.3E2 161.0226 1.6E4 161.1055 3.3E2 161.1380 2.5E2 161.1691 1.5E2 161.4610 1.1E2 162.0254 1.5E3 163.0363 1.2E2 179.0048 1.0E2 179.0331 1.3E2 179.0422 2.7E2 180.0293 1.3E2 207.1006 1.3E2 240.9270 1.2E2 271.0179 1.8E2 285.0432 2.5E2 288.0080 1.8E2 291.0843 1.1E2 295.5592 2.0E2 297.0063 3.2E2 297.0850 2.0E2 311.0517 2.5E2 315.0192 1.0E2 315.1035 1.4E2 315.1109 1.1E2 316.0226 1.8E2 357.0118 1.4E2 378.0550 1.1E2 403.0034 1.6E2 449.0376 2.1E2 461.1629 1.7E3 461.1704 2.4E2 461.2312 1.0E2 461.2450 1.5E2 462.1640 2.4E2 462.1803 2.9E2 463.1493 1.6E2 472.9777 1.5E2 498.2295 1.7E2 517.0583 1.7E2 537.0826 1.3E2 579.0469 1.1E2 623.1262 1.2E2 623.1986 6.4E3 623.3143 3.4E2 623.3646 2.6E2 623.4256 1.7E2 623.5108 1.0E2 623.6013 1.1E2 624.1923 1.6E3 624.2075 1.4E3 624.3510 1.3E2 624.8125 1.5E2 624.8668 1.1E2 625.1944 1.2E3 626.1692 1.7E2 626.1969 1.7E2 985.4486 1.1E2 END IONS BEGIN IONS FEATURE_ID=4477 PEPMASS=521.2002 SCANS=4477 RTINSECONDS=591.397 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 12 (0 removed due to low quality, 10 removed due to low cosine). 60.0130 1.2E2 71.0137 6.7E2 72.9963 1.2E2 86.9040 1.1E2 89.0244 2.2E3 89.0536 2.2E2 95.0092 1.6E2 101.0228 4.3E2 113.0255 2.0E2 119.0299 3.6E2 120.0313 1.2E2 143.0336 2.6E2 149.0389 2.1E2 157.0682 1.1E2 161.0419 5.4E2 179.0480 2.9E2 205.0894 1.5E2 236.1264 1.3E2 253.0518 1.2E2 266.0474 1.2E2 267.0594 1.6E2 281.0705 1.3E2 283.0832 1.2E2 309.0283 1.2E2 322.0372 1.7E2 329.1269 1.5E2 341.1312 4.4E2 341.1959 1.2E2 342.0947 1.1E2 343.1606 1.2E2 432.6967 1.2E2 491.1669 1.8E2 521.1531 2.0E2 522.0872 1.3E2 523.2190 2.1E2 524.2062 1.4E2 525.2495 1.2E2 END IONS BEGIN IONS FEATURE_ID=4484 PEPMASS=677.1281 SCANS=4484 RTINSECONDS=592.062 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 107.0099 2.2E2 177.0247 1.5E2 178.9930 3.0E2 203.0248 1.0E2 271.0152 2.2E2 291.0669 1.2E2 299.0215 1.1E2 300.0274 2.3E3 300.1684 1.3E2 300.6317 1.1E2 301.0324 1.5E3 301.1190 1.9E2 302.0116 1.1E2 343.4747 1.3E2 377.9322 2.5E2 383.0194 2.0E2 410.0343 1.0E2 442.9508 1.2E2 480.9581 1.4E2 486.0487 2.7E2 509.0488 1.2E2 609.1429 7.7E2 610.1294 1.8E2 611.1369 2.2E2 612.1326 1.1E2 649.6567 1.4E2 END IONS BEGIN IONS FEATURE_ID=4491 PEPMASS=651.1062 SCANS=4491 RTINSECONDS=593.197 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 142.9672 1.1E2 196.9701 1.5E2 267.0658 1.4E2 285.0391 5.8E3 285.5853 1.0E2 286.0393 1.1E3 367.0313 1.7E2 410.0487 1.8E2 426.0907 1.3E2 559.1891 1.2E2 593.1514 1.6E3 594.1479 5.5E2 595.9724 1.2E2 596.1548 1.5E2 END IONS BEGIN IONS FEATURE_ID=4499 PEPMASS=557.1764 SCANS=4499 RTINSECONDS=595.66 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 135.0432 1.4E2 161.0540 1.4E2 179.0367 2.2E2 241.1089 1.0E2 266.0493 1.8E2 291.0653 2.6E2 297.0864 1.2E2 335.0447 1.6E2 336.0542 1.1E2 360.0878 1.5E2 END IONS BEGIN IONS FEATURE_ID=4526 PEPMASS=609.1434 SCANS=4526 RTINSECONDS=604.288 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 10 (0 removed due to low quality, 6 removed due to low cosine). 63.0262 1.5E2 87.0045 1.5E2 89.0273 5.4E2 97.0265 2.6E2 107.0162 2.0E2 108.0177 1.0E2 111.0149 1.0E2 118.8975 1.3E2 121.0303 2.2E2 136.0195 1.6E2 148.0173 1.1E2 151.0004 1.9E3 151.0316 4.3E2 151.0414 1.3E2 151.0546 1.1E2 151.9999 2.2E2 159.0432 2.1E2 161.0866 1.0E2 163.0026 8.2E2 163.0376 1.9E2 175.0026 1.0E2 178.9953 5.0E2 179.0005 1.2E2 188.0391 2.5E2 190.0202 1.1E2 190.9982 2.0E2 191.0262 2.7E2 191.0355 2.3E2 191.9612 1.1E2 192.0046 1.8E2 197.0483 1.2E2 199.0378 2.1E2 211.0201 1.2E2 211.0363 1.1E2 221.0379 1.2E2 226.0228 1.5E2 227.0314 4.4E2 233.0400 2.0E2 243.0288 5.4E2 245.0426 1.3E2 255.0261 1.4E3 255.0342 1.0E3 255.3741 1.0E2 256.0294 4.7E2 257.0469 2.1E2 267.0697 1.2E2 271.0210 6.2E3 271.1041 1.4E2 271.1711 1.1E2 271.5331 1.1E2 272.0277 1.5E3 272.0727 1.0E2 273.0204 1.0E2 273.0354 1.3E2 274.0350 2.1E2 297.7095 1.0E2 298.0471 1.1E2 298.9918 1.6E2 299.0084 1.4E2 299.0415 1.6E2 300.0248 3.9E4 300.1825 1.6E3 300.8033 1.2E2 300.8558 1.1E2 300.9482 1.1E2 301.0327 1.9E4 301.1894 3.3E2 301.6810 1.4E2 301.7781 1.4E2 302.0357 3.5E3 302.1024 1.5E2 302.1579 1.0E2 302.2359 1.0E2 302.2709 1.3E2 302.8946 1.2E2 303.0338 7.0E2 303.0872 1.4E2 304.0358 1.4E2 309.0272 2.2E2 315.0494 1.6E2 343.0421 1.5E2 344.0286 1.0E2 344.0496 1.2E2 351.0180 2.3E2 426.0409 1.8E2 483.3163 2.6E2 501.0386 2.6E2 503.0176 1.1E2 560.0843 2.1E2 609.1432 9.6E2 609.1578 3.5E2 609.2049 1.1E2 609.2297 1.2E2 610.1405 8.4E2 738.0480 1.4E2 END IONS BEGIN IONS FEATURE_ID=4531 PEPMASS=181.0122 SCANS=4531 RTINSECONDS=607.937 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 65.0408 4.3E2 75.0241 1.1E2 88.6912 1.5E2 92.9932 2.7E2 93.0339 4.5E3 93.0820 1.6E2 94.0392 4.2E2 94.9204 1.1E2 129.7347 2.8E2 136.9188 2.0E2 169.0199 1.4E2 323.0813 1.5E2 END IONS BEGIN IONS FEATURE_ID=4532 PEPMASS=350.1227 SCANS=4532 RTINSECONDS=607.937 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 74.0270 8.6E2 79.0637 1.2E2 88.0398 3.2E2 100.0090 2.0E2 112.9082 1.3E2 117.0332 2.5E2 119.0487 3.4E2 121.0691 1.6E2 128.0714 1.2E2 145.0233 2.1E2 223.1789 1.4E2 END IONS BEGIN IONS FEATURE_ID=4536 PEPMASS=607.1272 SCANS=4536 RTINSECONDS=609.034 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 63.0224 4.2E2 63.0271 1.4E2 65.0030 1.4E3 81.0361 1.8E2 83.0121 4.2E2 84.9917 1.5E2 89.0372 1.5E2 91.0172 1.8E2 102.2896 1.7E2 107.0148 2.2E3 108.0183 7.1E2 108.0586 1.4E2 109.0289 7.1E2 119.0209 1.9E2 121.0273 2.1E3 121.1259 1.0E2 122.0316 1.1E2 125.0238 8.5E2 126.0291 2.0E2 135.0068 9.6E2 135.0375 1.4E2 136.0131 2.6E2 136.6267 2.4E2 139.0412 1.3E2 143.0408 1.2E2 148.0159 2.0E2 149.0143 1.2E2 149.0253 3.0E2 149.6766 1.5E2 149.9926 1.3E2 150.0294 3.2E2 151.0013 2.3E4 151.1129 1.4E2 151.5783 1.5E2 151.6784 1.6E2 151.8042 1.0E2 152.0074 1.6E3 152.1173 1.5E2 152.1506 1.0E2 152.3384 1.2E2 153.0171 2.7E2 153.0230 1.6E2 154.3605 1.4E2 156.0521 1.6E2 156.5595 2.3E2 159.0481 2.1E2 159.2956 1.7E2 160.8977 1.1E2 161.0205 3.1E2 161.0613 2.4E2 162.0240 2.5E2 163.0019 2.3E3 163.0324 8.7E2 163.1153 2.3E2 163.1580 1.7E2 164.0091 3.7E2 165.0312 1.5E2 169.0174 2.2E2 169.0222 3.0E2 169.1043 1.3E2 171.0524 1.7E2 172.0470 2.3E2 174.0340 2.6E2 177.0151 3.3E2 178.9962 2.1E4 179.0621 2.0E2 179.1123 1.6E2 179.5804 1.1E2 179.9990 1.2E3 180.0409 1.5E2 180.0518 1.4E2 183.0399 3.1E2 183.0453 1.8E2 185.0512 1.1E2 186.0291 2.7E2 187.0374 5.7E2 188.0450 1.3E2 189.0146 2.3E2 189.0188 1.4E2 189.0449 1.2E2 189.0854 1.0E2 190.0246 1.4E3 190.0879 1.1E2 190.9956 3.9E2 191.0304 9.4E2 191.0906 1.5E2 192.0041 4.9E2 193.0089 2.1E2 193.0155 9.1E2 194.0084 1.0E2 195.0393 1.3E2 198.3897 2.0E2 199.0359 4.4E2 199.0412 1.1E2 201.0211 3.8E2 201.0601 4.4E2 203.0260 1.3E2 203.0319 7.8E2 204.0462 1.6E2 205.0431 4.0E2 206.0152 2.9E2 206.0531 1.1E2 207.0253 6.3E2 209.0089 1.4E2 211.0349 8.8E2 211.0455 1.1E2 211.6653 1.4E2 212.0391 3.0E2 213.0108 2.8E2 213.7261 2.2E2 214.0229 2.5E2 214.0290 1.7E2 215.0334 4.6E2 215.0390 2.7E2 216.0403 3.4E2 217.0009 3.3E2 217.0084 2.5E2 217.0318 1.7E2 219.0188 1.2E2 219.0318 2.4E2 221.0463 2.5E2 223.4954 1.4E2 226.0187 2.4E2 226.0255 1.2E3 226.1260 1.3E2 227.0309 1.9E3 227.1505 1.2E2 227.9904 1.3E2 228.0439 5.4E2 229.0467 1.0E3 229.0846 2.6E2 229.1218 1.4E2 230.0148 1.4E2 230.0218 2.3E2 231.0387 1.6E2 233.0427 4.1E2 235.0280 1.4E2 239.0312 6.4E2 239.0449 1.1E2 240.0405 3.0E2 240.0469 1.6E2 241.0105 2.7E2 241.0702 1.5E2 242.0171 6.0E2 243.0256 7.8E3 243.1664 3.6E2 243.2056 1.8E2 243.6729 2.2E2 243.7688 1.2E2 244.0357 9.5E2 244.0953 2.2E2 244.2191 1.3E2 245.0438 1.1E3 246.0207 1.3E2 246.5939 1.4E2 249.6251 1.5E2 254.0203 3.0E3 254.1110 1.8E2 254.1672 1.2E2 254.2065 1.2E2 254.2988 1.1E2 254.6092 1.0E2 254.8943 1.4E2 255.0277 2.9E4 255.1707 2.0E2 255.8793 1.3E2 256.0296 4.4E3 256.1041 5.5E2 256.1766 2.5E2 256.2359 1.8E2 256.3685 1.4E2 256.6281 1.1E2 256.6785 1.1E2 256.7401 1.5E2 256.8535 1.6E2 257.0431 8.7E2 257.1499 1.7E2 257.3178 1.3E2 258.0394 1.1E2 259.0309 1.4E2 260.5754 1.1E2 265.0046 1.2E2 266.0156 2.3E2 266.1317 1.1E2 268.4954 1.0E2 269.0345 2.1E2 269.7342 1.2E2 270.0145 1.4E3 270.1590 1.0E2 270.9152 1.3E2 271.0221 5.8E4 271.1304 2.7E2 271.1769 2.5E2 271.2201 1.5E2 271.3090 1.2E2 271.8304 2.2E2 272.0276 1.2E4 272.5849 1.2E2 272.6945 1.3E2 272.7556 1.2E2 272.8787 1.5E2 273.0376 4.2E3 273.2071 3.0E2 273.3601 1.3E2 273.5233 1.0E2 273.8041 1.1E2 274.0438 6.8E2 274.1402 1.4E2 274.2224 1.2E2 274.3585 1.3E2 274.7677 1.1E2 275.0422 1.8E2 275.4576 1.1E2 276.2328 1.1E2 276.4560 1.1E2 281.0395 1.8E2 281.0481 1.6E2 282.0196 2.0E2 283.0212 2.2E3 283.1253 1.5E2 284.0285 2.5E2 284.8714 1.1E2 285.0332 1.9E2 285.0394 3.5E2 287.8892 1.2E2 290.4704 1.0E2 293.0412 1.2E2 294.0405 1.0E2 295.0045 1.2E2 296.0261 1.0E2 296.0380 1.1E2 296.6626 1.2E2 296.7180 1.4E2 296.9134 2.8E2 297.0318 2.6E2 297.0411 6.1E2 297.0639 1.2E2 297.1023 3.1E2 297.2836 2.8E2 297.3616 1.7E2 297.4556 2.0E2 297.5403 3.2E2 297.6157 3.3E2 297.6696 2.5E2 297.7145 2.7E2 297.7711 2.2E2 297.8413 2.0E2 297.9762 1.1E2 298.0006 6.3E2 298.1558 5.0E2 298.1935 1.3E2 298.2425 2.4E2 298.2888 2.0E2 298.3641 2.0E2 298.4031 2.8E2 298.4449 1.9E2 298.4760 2.5E2 298.5275 2.0E2 298.5594 1.3E2 298.6041 2.2E2 298.7525 3.3E2 298.8721 2.5E2 298.9285 4.5E2 299.0179 4.3E3 299.1061 1.5E2 299.1830 1.6E2 299.2022 3.2E2 299.2609 1.1E2 299.2833 1.9E2 299.3619 2.2E2 299.3864 1.4E2 299.4751 4.0E2 299.5327 2.9E2 299.5730 1.4E2 299.5878 1.8E2 299.6271 1.6E2 299.7663 2.6E2 300.0243 4.9E5 300.1800 2.5E4 300.8697 5.9E2 301.0314 2.7E5 301.9051 1.5E2 302.0358 3.2E4 302.4545 1.1E2 302.5727 1.7E2 302.6836 2.1E2 302.7528 4.7E2 302.8222 1.6E2 302.8488 1.8E2 302.9285 1.5E2 303.0365 2.5E3 303.0970 3.9E2 303.1245 2.2E2 303.1438 3.4E2 303.1943 2.9E2 303.2254 1.7E2 303.2585 1.8E2 303.3545 1.2E2 303.4043 1.4E2 303.4104 3.0E2 303.5166 2.4E2 303.5348 1.4E2 303.6089 1.2E2 303.6890 3.1E2 303.7209 1.0E2 303.7547 1.6E2 303.8902 1.5E2 303.9117 1.3E2 304.0847 2.3E2 304.1041 1.1E2 304.2344 1.1E2 304.3708 1.9E2 304.5145 1.0E2 304.6270 1.3E2 304.7214 1.5E2 304.7841 1.4E2 304.8560 1.0E2 304.9481 1.1E2 305.0060 1.6E2 305.1459 1.9E2 305.3732 1.0E2 305.5700 1.2E2 305.8274 2.0E2 305.8358 1.9E2 305.9707 1.8E2 306.1211 1.2E2 306.2012 1.4E2 306.2485 1.2E2 306.2840 1.5E2 306.3962 1.2E2 306.6668 1.3E2 306.8466 2.2E2 307.0386 1.3E2 307.1387 1.3E2 307.1958 1.3E2 307.2787 1.2E2 307.3161 1.2E2 307.3996 1.6E2 307.5137 1.5E2 307.5289 1.3E2 307.6408 1.1E2 307.7086 1.4E2 307.7930 1.2E2 308.0556 1.2E2 308.3044 1.1E2 308.4115 2.1E2 308.4993 1.4E2 308.6896 1.3E2 309.3126 1.3E2 310.1688 1.4E2 310.3331 1.2E2 310.5279 2.3E2 310.8598 1.0E2 311.0055 1.7E2 311.0247 1.6E2 311.0843 1.3E2 311.3514 1.1E2 312.0170 1.8E2 312.7945 1.4E2 313.0307 1.8E3 313.1784 1.2E2 313.3017 1.0E2 313.6552 1.1E2 314.0291 1.8E2 314.0481 2.5E2 314.4759 1.2E2 315.0406 3.1E2 315.0607 1.6E2 315.2516 1.1E2 315.4752 1.4E2 316.9036 1.4E2 317.7436 1.2E2 323.0565 1.6E2 325.0275 1.0E2 325.0405 1.4E2 326.0397 2.9E2 327.0366 1.0E2 330.2794 1.1E2 338.4578 1.1E2 339.7526 1.1E2 341.0606 1.2E2 343.0429 5.1E3 343.2079 2.7E2 343.4744 1.1E2 344.0450 9.5E2 344.1942 1.4E2 347.0734 1.6E2 349.0222 1.3E2 353.0270 2.4E2 355.0386 5.9E2 355.0857 1.9E2 362.1754 1.2E2 364.1570 1.1E2 367.0295 1.0E2 373.0379 1.1E2 373.0559 1.9E2 381.1196 1.2E2 393.0885 1.4E2 401.0265 1.2E2 414.1808 1.6E2 422.8211 1.7E2 426.4386 1.2E2 427.1209 1.2E2 439.1141 1.4E2 446.1809 1.6E2 457.1298 5.6E2 457.1828 1.0E2 463.0817 6.2E2 464.0739 2.6E2 464.0897 1.4E2 465.1122 1.7E2 466.0703 1.2E2 473.1256 1.9E2 482.1287 1.1E2 483.1115 2.1E2 488.4574 1.1E2 495.9079 1.0E2 499.1345 1.7E2 521.2010 1.7E2 547.1251 1.6E2 565.1640 2.1E2 591.1241 6.1E2 591.1371 5.9E2 592.1407 1.0E2 593.1023 1.3E2 600.9005 1.1E2 602.2069 1.2E2 602.3480 2.2E2 602.4074 1.1E2 602.5114 3.8E2 602.8705 5.1E2 603.0673 3.6E2 603.3138 5.4E2 603.5305 4.1E2 603.8044 3.9E2 603.9997 2.7E2 604.1417 4.3E2 604.2012 2.5E2 604.2561 1.9E2 604.3805 3.1E2 604.5000 2.1E2 604.6642 2.3E2 604.8846 1.9E2 604.9521 1.7E2 605.0828 2.5E2 605.3140 2.1E2 605.5361 1.1E2 605.7697 2.0E2 605.9653 1.9E2 606.1700 2.4E2 606.3289 3.2E2 606.4486 1.4E2 606.5400 1.5E2 607.1237 2.0E3 607.2972 3.5E2 607.3844 3.0E2 607.4880 2.0E2 607.8132 3.1E2 607.9849 3.7E2 608.1451 8.4E2 608.3304 2.1E2 608.4315 2.6E2 609.1397 5.4E5 610.1448 1.5E5 610.3599 3.1E2 610.4294 1.5E2 610.5426 1.4E2 610.7397 1.3E2 611.1485 1.2E4 611.2409 2.1E2 611.3574 1.1E2 611.3703 7.8E2 611.5002 4.8E2 611.5458 1.1E2 611.5933 4.9E2 611.6654 3.4E2 611.7968 5.2E2 611.9101 3.5E2 611.9638 4.1E2 612.1507 5.3E2 612.3192 3.0E2 612.3882 1.8E2 612.5415 1.8E2 612.6677 3.5E2 612.7340 2.9E2 612.8499 2.4E2 613.0199 2.6E2 613.1723 2.3E2 613.3029 1.9E2 613.4285 1.2E2 613.4581 3.3E2 613.7096 4.9E2 614.0717 2.8E2 614.2947 2.5E2 614.3999 1.5E2 614.5395 1.3E2 614.8001 1.1E2 614.8956 2.6E2 615.2676 1.4E2 615.3906 2.1E2 615.5585 1.2E2 615.7091 2.5E2 615.7886 2.2E2 615.8461 1.5E2 615.9624 1.9E2 616.1350 2.1E2 616.2968 1.9E2 616.4983 3.1E2 616.6501 2.2E2 616.8009 2.7E2 617.1721 2.8E2 617.5084 1.9E2 617.6308 1.3E2 617.7126 1.2E2 617.8337 1.0E2 618.0611 3.2E2 618.2165 1.7E2 618.3385 1.1E2 618.4075 1.7E2 618.5135 2.1E2 618.7144 1.0E2 618.8588 1.6E2 619.0075 1.4E2 619.2268 1.7E2 619.4917 1.1E2 619.8509 1.5E2 620.0004 1.4E2 620.1165 1.2E2 620.3214 1.7E2 620.6447 1.4E2 620.7975 1.4E2 620.8932 1.1E2 621.0021 1.1E2 621.1771 1.1E2 621.2815 1.3E2 621.4912 1.9E2 621.7148 1.2E2 622.2977 1.3E2 622.4206 1.5E2 622.5342 1.2E2 622.6414 2.1E2 622.7148 1.2E2 622.7832 1.2E2 622.8014 1.5E2 623.0238 1.3E2 623.2193 1.1E2 623.4523 1.4E2 623.9641 1.0E2 624.4212 1.4E2 624.8707 1.5E2 625.2747 1.5E2 625.6701 1.1E2 625.7653 1.5E2 626.0310 1.5E2 626.6960 1.1E2 627.1004 1.1E2 627.3438 1.2E2 628.9675 1.1E2 629.0347 1.0E2 630.5042 1.0E2 631.1757 1.0E2 632.1190 1.3E2 633.7302 1.3E2 635.2190 1.1E2 638.1592 1.2E2 639.5186 1.2E2 643.7613 1.1E2 684.8121 1.3E2 714.7731 1.1E2 760.0988 1.1E2 805.0617 1.0E2 959.4176 2.6E2 END IONS BEGIN IONS FEATURE_ID=4551 PEPMASS=609.1436 SCANS=4551 RTINSECONDS=612.874 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0258 2.7E2 89.0508 1.1E2 94.9207 1.4E2 96.9645 1.7E2 137.6345 1.2E2 156.0233 1.1E2 162.8326 1.2E2 166.8295 1.5E2 208.9383 1.6E2 261.0326 1.1E2 271.0163 1.1E2 300.0259 2.8E2 301.0372 2.9E2 306.1030 2.3E2 338.0626 1.5E2 343.0533 1.4E2 384.9855 1.9E2 390.1459 1.0E2 425.9499 2.8E2 455.0058 1.2E2 514.9521 1.9E2 531.0648 1.3E2 531.1492 1.1E2 543.0215 1.1E2 557.6730 1.0E2 573.9436 1.3E2 575.1046 1.0E2 609.1456 1.9E3 609.2826 1.4E2 609.3508 1.0E2 609.4274 1.2E2 610.1473 7.3E2 610.2864 1.0E2 610.4422 1.1E2 610.9498 1.2E2 611.1628 2.5E2 END IONS BEGIN IONS FEATURE_ID=4557 PEPMASS=677.1269 SCANS=4557 RTINSECONDS=613.961 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 88.9920 1.1E2 150.9987 5.3E2 167.0263 1.5E2 227.0461 1.7E2 271.0276 2.8E2 272.0198 1.8E2 281.9561 1.8E2 300.0230 5.2E3 300.1651 1.2E2 300.2324 1.2E2 301.0310 3.7E3 301.1136 1.8E2 301.1547 1.3E2 301.8669 1.6E2 302.0271 5.3E2 302.0362 3.0E2 323.0137 1.4E2 341.0060 1.2E2 341.0135 2.2E2 343.0150 1.2E2 368.0184 2.1E2 384.0121 2.0E2 395.0136 1.4E2 395.0349 2.1E2 409.0298 1.0E2 424.0508 1.3E2 609.1386 1.5E3 609.2182 1.0E2 610.1461 5.3E2 640.2324 1.9E2 823.8788 1.3E2 END IONS BEGIN IONS FEATURE_ID=4566 PEPMASS=667.1027 SCANS=4566 RTINSECONDS=616.218 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 151.0007 5.2E2 167.0615 1.4E2 255.0361 2.9E2 259.0458 2.0E2 270.9487 1.1E2 271.0253 1.3E2 278.9266 1.2E2 300.0271 2.1E3 300.7169 1.1E2 301.0370 1.6E3 301.2056 1.2E2 301.8770 1.2E2 302.0384 3.9E2 313.0694 2.1E2 314.0469 1.1E2 383.0213 1.8E2 515.0071 1.0E2 609.1431 1.1E3 610.1365 6.1E2 END IONS BEGIN IONS FEATURE_ID=4574 PEPMASS=407.1820 SCANS=4574 RTINSECONDS=620.758 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 149.0563 1.4E2 159.9512 1.7E2 225.1154 1.7E2 END IONS BEGIN IONS FEATURE_ID=4604 PEPMASS=417.2101 SCANS=4604 RTINSECONDS=628.582 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0203 1.8E2 113.0259 1.1E2 122.1757 1.8E2 174.9459 2.2E2 239.8615 1.1E2 302.9284 1.4E2 311.0566 1.5E2 319.2817 1.0E2 353.0836 1.3E2 371.1946 1.1E2 372.2087 3.1E2 390.1591 1.3E2 432.4459 1.2E2 END IONS BEGIN IONS FEATURE_ID=4626 PEPMASS=255.8208 SCANS=4626 RTINSECONDS=635.325 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0052 2.1E2 76.9728 1.7E2 87.0160 1.4E2 108.0476 2.1E2 123.0196 1.8E2 136.9453 1.6E2 166.8642 3.3E3 166.9076 5.0E2 166.9529 1.3E2 166.9869 1.2E2 167.0983 1.3E2 168.8616 7.6E2 168.9073 1.3E2 169.0142 1.2E2 169.8608 3.5E2 177.8539 1.8E2 183.8654 2.3E2 184.8756 1.2E2 201.8326 9.7E2 202.8275 2.3E2 END IONS BEGIN IONS FEATURE_ID=4641 PEPMASS=483.0682 SCANS=4641 RTINSECONDS=641.059 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.9910 1.4E2 79.0563 1.1E2 83.0145 1.8E2 121.0598 1.4E2 197.4993 1.1E2 217.0421 1.2E2 256.0226 1.3E2 284.0295 2.2E3 284.1441 1.5E2 284.1809 1.4E2 285.0395 5.8E3 285.1936 3.3E2 286.0405 1.2E3 286.2412 1.4E2 288.6503 1.0E2 327.0507 1.5E2 447.0921 2.5E2 448.0802 2.6E2 END IONS BEGIN IONS FEATURE_ID=4643 PEPMASS=510.0871 SCANS=4643 RTINSECONDS=641.059 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.2490 2.2E2 227.0340 1.4E2 228.0357 1.1E2 255.0260 1.9E2 284.0261 8.6E2 285.0399 1.9E3 285.1125 2.8E2 286.0370 5.0E2 327.0039 2.3E2 348.1025 1.0E2 349.0245 1.1E2 447.0850 6.0E2 447.1566 1.4E2 899.3126 1.2E2 END IONS BEGIN IONS FEATURE_ID=4644 PEPMASS=515.0784 SCANS=4644 RTINSECONDS=641.059 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 93.0347 1.4E2 113.0223 2.0E2 130.9439 1.6E2 151.0343 1.1E2 162.9987 1.4E2 233.4577 1.6E2 241.0552 1.3E2 266.0181 1.1E2 284.0302 2.4E3 284.0888 1.5E2 285.0376 5.8E3 285.1822 1.4E2 286.0353 2.1E2 286.0433 5.6E2 286.1322 1.2E2 287.0400 1.1E2 287.0472 2.2E2 288.0420 1.6E2 327.0363 1.7E2 327.0522 1.8E2 447.1050 2.2E2 448.0879 1.1E2 448.1013 1.6E2 449.0893 1.6E2 467.9233 1.5E2 795.4285 1.2E2 END IONS BEGIN IONS FEATURE_ID=4647 PEPMASS=369.1451 SCANS=4647 RTINSECONDS=641.341 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 135.0451 2.1E3 135.1501 1.8E2 161.0189 2.2E2 174.9546 1.3E2 177.1038 1.3E2 207.1138 4.3E2 233.0891 7.2E2 234.0981 1.1E2 249.1271 7.9E2 250.1209 2.0E2 275.1042 2.3E2 283.8070 1.1E2 313.1538 2.5E2 369.1468 1.2E2 370.1470 1.8E2 371.0649 1.0E2 END IONS BEGIN IONS FEATURE_ID=4652 PEPMASS=261.1330 SCANS=4652 RTINSECONDS=643.161 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (4 removed due to low quality, 5 removed due to low cosine). 78.9620 1.4E2 97.0666 1.8E2 118.9526 1.0E2 123.0816 3.9E2 167.8581 1.1E2 170.8655 1.2E2 END IONS BEGIN IONS FEATURE_ID=4658 PEPMASS=896.1926 SCANS=4658 RTINSECONDS=643.611 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 116.9808 1.1E2 284.0254 1.6E2 284.0323 2.8E2 285.0331 8.6E2 285.0418 1.2E3 286.0304 3.1E2 286.0402 2.0E3 287.0387 1.2E2 354.0749 1.9E2 387.0629 1.1E2 447.0926 9.5E3 447.1925 2.4E2 447.2063 2.8E2 447.2835 2.4E2 448.0167 1.6E2 448.0947 1.1E4 448.2010 4.5E2 448.2236 1.9E2 448.2427 2.3E2 448.2839 2.5E2 449.0996 2.2E3 449.2138 1.1E2 449.2957 1.1E2 449.6719 1.1E2 450.1076 4.9E2 450.1256 1.0E2 763.2347 1.1E2 829.0895 1.9E2 END IONS BEGIN IONS FEATURE_ID=4660 PEPMASS=255.8213 SCANS=4660 RTINSECONDS=644.203 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 80.9661 2.6E2 96.9580 1.6E2 105.0336 1.4E2 121.0250 1.0E2 138.9283 1.8E2 147.8930 1.5E2 160.0467 1.9E2 166.8641 2.9E3 166.9827 1.3E2 167.5072 1.3E2 167.8623 2.2E2 168.8591 1.0E3 184.8747 1.2E2 187.8699 1.5E2 201.8366 6.8E2 202.3256 1.2E2 203.8319 4.8E2 379.2300 1.1E2 660.1552 1.8E2 END IONS BEGIN IONS FEATURE_ID=4674 PEPMASS=895.1896 SCANS=4674 RTINSECONDS=648.375 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 94.0036 1.3E2 119.9457 1.6E2 131.0326 1.1E2 213.0059 2.7E2 284.0308 1.0E3 284.0375 1.4E2 285.0386 7.2E3 285.1248 3.1E2 285.3235 1.2E2 285.7284 1.2E2 286.0422 9.2E2 286.0501 1.3E2 287.0436 2.6E2 308.1029 2.0E2 327.0278 1.6E2 328.0372 1.3E2 329.0433 1.1E2 339.9624 1.3E2 422.8934 1.0E2 436.5683 1.0E2 443.0014 1.0E2 444.0285 1.0E2 447.0061 1.7E2 447.0903 3.1E4 447.2843 5.9E2 447.5975 1.1E2 447.6764 1.4E2 447.7378 1.1E2 448.0942 6.5E3 448.2742 1.8E2 448.2924 1.2E2 448.3321 1.0E2 448.6624 1.2E2 448.9314 1.0E2 449.0986 1.8E3 449.1942 1.2E2 451.0951 1.3E2 509.3462 1.0E2 620.9286 1.5E2 653.6014 1.5E2 669.0502 1.6E2 699.0724 1.0E2 700.1021 1.6E2 710.2180 1.3E2 736.9979 2.5E2 737.1280 2.9E2 831.1676 1.5E2 950.5492 1.1E2 END IONS BEGIN IONS FEATURE_ID=4680 PEPMASS=407.1786 SCANS=4680 RTINSECONDS=650.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9947 3.0E2 96.9932 1.5E2 113.0222 1.9E2 161.0225 2.3E2 164.0316 1.2E2 183.0892 1.0E2 191.0521 1.2E2 198.9779 1.1E2 263.1020 2.0E2 393.0518 2.2E2 519.8937 1.2E2 END IONS BEGIN IONS FEATURE_ID=4687 PEPMASS=505.0512 SCANS=4687 RTINSECONDS=650.639 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 68.0150 1.1E2 173.0577 1.2E2 193.0917 1.5E2 227.0339 2.3E2 233.0391 1.3E2 235.0353 1.2E2 256.0272 1.0E2 267.0504 1.7E2 270.1058 1.1E2 281.0454 1.3E2 282.0765 1.1E2 283.0526 1.0E2 284.0331 3.6E3 285.0390 1.2E4 285.1377 2.3E2 285.1440 2.3E2 285.2157 1.7E2 285.2275 1.2E2 285.2854 1.1E2 286.0389 5.8E2 286.0462 1.3E3 286.1075 1.9E2 287.0405 3.9E2 287.0504 1.4E2 288.5714 1.0E2 299.0462 1.4E2 301.0757 1.2E2 313.6102 1.3E2 327.0492 2.3E2 327.0702 1.7E2 330.1085 1.2E2 342.9862 1.7E2 385.1806 1.0E2 396.0806 2.6E2 442.9209 1.2E2 447.0909 1.4E3 448.1017 3.3E2 END IONS BEGIN IONS FEATURE_ID=4690 PEPMASS=369.1444 SCANS=4690 RTINSECONDS=649.588 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 93.0356 5.0E2 93.0652 1.0E2 106.0462 1.4E2 132.0253 1.2E2 135.0435 3.6E3 135.1514 2.5E2 136.0471 4.0E2 148.0425 1.2E2 165.0652 1.5E2 207.1128 4.1E2 226.8454 1.2E2 235.8537 1.7E2 237.0548 2.3E2 249.1244 3.8E2 250.1239 1.9E2 263.0418 1.1E2 266.0773 1.5E2 275.0904 1.0E2 295.3127 1.1E2 609.7222 1.2E2 END IONS BEGIN IONS FEATURE_ID=4701 PEPMASS=555.1630 SCANS=4701 RTINSECONDS=655.128 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 161.0282 1.5E2 335.0628 1.6E2 359.0567 1.2E2 376.0855 1.3E2 451.1138 1.3E2 491.1714 1.6E2 503.1777 2.4E2 521.1196 2.0E2 555.1543 1.1E2 557.1702 1.6E2 817.0735 1.3E2 END IONS BEGIN IONS FEATURE_ID=4703 PEPMASS=417.2106 SCANS=4703 RTINSECONDS=657.712 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0274 2.5E2 105.0199 2.0E2 121.0310 1.8E2 133.4413 1.1E2 177.0148 1.2E2 212.2625 1.3E2 216.1046 1.6E2 226.8220 1.1E2 245.0858 1.3E2 END IONS BEGIN IONS FEATURE_ID=4705 PEPMASS=510.0870 SCANS=4705 RTINSECONDS=655.336 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 93.0297 1.1E2 151.0003 1.6E2 171.0283 1.0E2 191.0527 1.4E2 205.9273 1.1E2 217.0212 1.9E2 231.9719 2.2E2 256.0188 1.0E2 284.0294 1.3E3 285.0361 2.1E3 286.0365 4.7E2 286.0940 1.0E2 327.0316 1.5E2 419.9472 1.2E2 449.0918 2.5E2 END IONS BEGIN IONS FEATURE_ID=4710 PEPMASS=255.8205 SCANS=4710 RTINSECONDS=655.414 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0156 1.1E2 96.9604 1.1E2 98.5453 2.4E2 128.0481 1.3E2 135.0465 1.6E2 155.1063 1.9E2 156.0916 1.7E2 166.8608 2.9E2 171.0966 3.1E2 184.0754 1.8E2 184.8733 1.5E2 186.8702 1.8E2 197.1225 1.3E2 201.1288 1.6E2 201.8355 2.4E3 201.9354 1.2E2 202.8307 4.6E2 203.8289 1.7E3 203.9166 1.4E2 204.8191 1.6E2 205.8303 1.3E2 209.9592 1.2E2 215.0034 1.1E2 215.1235 1.3E2 219.8429 2.0E3 219.9711 1.1E2 221.8405 1.1E3 856.5430 1.1E2 END IONS BEGIN IONS FEATURE_ID=4716 PEPMASS=195.8093 SCANS=4716 RTINSECONDS=658.214 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 76.9677 1.4E2 88.9300 2.0E2 108.0220 1.2E2 162.8363 1.0E2 166.0955 1.6E2 250.4826 1.2E2 304.6207 1.2E2 END IONS BEGIN IONS FEATURE_ID=4717 PEPMASS=197.8064 SCANS=4717 RTINSECONDS=658.214 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9581 1.4E2 96.9587 2.4E2 116.0496 1.1E2 162.8355 1.1E2 164.8277 2.0E2 END IONS BEGIN IONS FEATURE_ID=4725 PEPMASS=391.1029 SCANS=4725 RTINSECONDS=660.599 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 61.9855 1.5E2 72.9930 1.5E3 73.0230 1.2E2 90.0399 2.5E2 109.0274 1.5E2 123.0384 1.1E2 123.1035 1.1E2 124.0465 2.7E2 124.0908 1.4E2 128.0380 1.1E2 133.0263 5.9E2 134.0294 2.0E2 135.0401 1.0E2 135.0459 7.6E2 135.1345 1.3E2 149.0658 1.0E2 154.0560 2.5E2 160.0077 1.7E2 161.0223 8.4E3 161.0799 1.8E2 161.1314 1.7E2 161.1364 1.1E2 161.1420 1.2E2 161.3729 1.0E2 162.0257 5.1E2 162.0317 3.2E2 162.0599 1.2E2 162.1138 1.1E2 175.0036 1.6E2 179.0311 1.7E3 179.0666 1.9E2 180.0352 2.6E2 180.0410 1.9E2 189.1378 2.2E2 197.0414 1.4E3 197.0468 9.8E2 198.0429 2.6E2 198.0472 2.6E2 198.0997 1.1E2 203.0395 1.6E2 203.2138 1.2E2 243.8397 1.3E2 244.0264 1.9E2 254.8289 1.1E2 259.0698 2.0E2 324.1803 1.8E2 331.0349 1.2E2 359.0675 2.0E2 359.1225 1.0E2 391.1073 1.1E2 END IONS BEGIN IONS FEATURE_ID=4728 PEPMASS=144.0444 SCANS=4728 RTINSECONDS=660.986 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 88.0299 1.7E2 89.0240 1.2E2 115.0394 9.5E2 329.3576 1.8E2 END IONS BEGIN IONS FEATURE_ID=4729 PEPMASS=305.1052 SCANS=4729 RTINSECONDS=660.986 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 64.0343 1.2E2 77.0067 1.2E2 79.9629 1.1E2 86.9712 1.4E2 96.0138 1.2E2 96.9596 1.6E4 96.9903 4.1E2 97.0107 3.1E2 97.0217 1.1E2 97.0493 6.9E2 97.2676 1.1E2 97.9667 1.1E2 98.9636 1.2E2 123.0782 2.7E2 127.8622 1.6E2 134.8560 1.7E2 135.0870 1.0E2 142.0781 1.2E2 142.5150 2.1E2 145.0265 1.7E2 147.0780 1.3E2 152.9084 1.2E2 156.9570 1.2E2 161.9175 1.5E2 164.9275 1.2E2 167.8737 2.0E2 167.8867 1.4E2 170.8766 4.1E2 170.8815 1.3E2 171.0180 1.0E2 172.0316 1.5E2 175.0616 1.3E2 176.9023 2.0E2 180.9062 1.4E2 199.0992 1.2E2 199.1502 1.7E2 199.1779 1.4E2 205.0772 1.1E2 230.8232 1.6E2 236.7197 1.2E2 238.8785 2.1E2 240.1247 1.5E2 245.0422 1.1E2 246.9414 1.1E2 250.8305 1.2E2 257.8800 1.1E2 263.1738 1.1E2 296.3545 1.9E2 305.1046 3.5E3 306.0967 3.9E2 306.3096 1.0E2 307.0965 3.3E2 308.1058 1.0E2 894.2976 1.7E2 END IONS BEGIN IONS FEATURE_ID=4735 PEPMASS=407.1818 SCANS=4735 RTINSECONDS=662.917 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (6 removed due to low quality, 0 removed due to low cosine). 72.9925 8.7E2 140.0755 1.2E2 144.8719 1.2E2 158.0193 1.7E2 177.0501 1.0E2 187.1327 1.4E2 211.1313 2.0E2 223.1007 1.0E2 275.0010 1.0E2 275.0976 1.0E2 280.9253 1.1E2 326.0794 1.6E2 367.2457 1.1E2 409.1444 2.1E2 446.6726 1.1E2 663.9877 1.3E2 908.2879 1.3E2 END IONS BEGIN IONS FEATURE_ID=4742 PEPMASS=417.2088 SCANS=4742 RTINSECONDS=662.757 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 153.0618 1.0E2 159.7512 1.1E2 181.0399 1.3E2 188.0726 1.1E2 272.1121 1.0E2 351.1171 1.2E2 361.2094 1.4E2 371.2023 1.5E2 375.0635 1.4E2 387.1041 1.4E2 406.7428 2.7E2 END IONS BEGIN IONS FEATURE_ID=4748 PEPMASS=391.1028 SCANS=4748 RTINSECONDS=668.137 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9941 3.6E2 96.9611 1.5E2 123.0429 1.2E2 135.0458 3.4E2 161.0217 2.4E3 161.0681 2.8E2 161.1047 1.0E2 161.1389 1.2E2 161.3143 1.2E2 161.9703 1.4E2 162.0233 2.9E2 179.0349 7.1E2 197.0448 1.1E3 197.0861 1.7E2 215.0382 1.2E2 224.8535 1.0E2 232.8484 1.7E2 254.9695 1.8E2 359.1077 1.0E2 END IONS BEGIN IONS FEATURE_ID=4757 PEPMASS=144.0446 SCANS=4757 RTINSECONDS=668.137 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 115.0412 1.2E2 117.0379 1.1E2 713.1336 1.6E2 END IONS BEGIN IONS FEATURE_ID=4770 PEPMASS=347.1509 SCANS=4770 RTINSECONDS=673.258 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 83.0478 1.4E2 127.0155 1.4E2 128.9430 1.2E2 141.0338 5.2E2 143.0523 1.0E3 144.0617 1.0E2 271.0980 3.0E2 648.3808 1.1E2 END IONS BEGIN IONS FEATURE_ID=4773 PEPMASS=615.1551 SCANS=4773 RTINSECONDS=673.258 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 175.0012 1.0E2 177.0102 1.0E2 271.0611 1.8E3 272.0622 5.9E2 349.0539 1.1E2 375.1311 1.8E2 397.0102 2.1E2 500.9211 1.5E2 531.2551 1.1E2 548.2010 1.6E2 579.1703 1.9E3 579.3026 8.8E2 579.4497 1.1E2 580.1728 7.8E2 581.3069 1.3E2 615.1416 1.8E2 615.2804 5.8E2 615.3622 1.2E2 616.1463 1.5E2 616.3010 1.2E2 617.2562 1.6E2 737.9139 1.0E2 END IONS BEGIN IONS FEATURE_ID=4777 PEPMASS=809.2452 SCANS=4777 RTINSECONDS=675.01 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 89.0274 2.6E2 92.9248 1.5E2 101.1397 1.0E2 119.0481 2.8E2 145.0232 1.6E2 145.0317 1.7E2 160.0166 2.8E2 162.3892 1.1E2 163.0393 2.4E2 163.0436 1.2E2 163.6197 1.0E2 175.0382 5.3E3 175.1410 1.3E2 175.1545 2.0E2 193.0484 2.0E2 193.0528 2.7E2 205.0412 1.0E2 235.0633 1.3E2 265.0715 1.2E2 279.0568 1.1E2 286.1069 2.0E2 307.0757 2.1E2 310.0919 1.1E2 313.0595 1.1E2 337.0828 1.7E2 337.0908 1.0E2 361.1167 1.0E2 447.0890 1.9E2 469.1285 1.5E2 470.1213 2.1E2 485.9836 1.2E2 487.1400 1.7E3 488.1410 2.8E2 488.1548 2.7E2 489.1413 1.4E2 507.8565 1.0E2 526.9536 1.1E2 625.0074 1.0E2 663.1753 2.5E2 663.1929 2.5E2 664.1828 4.1E2 787.5941 1.3E2 846.9805 1.1E2 892.8785 1.1E2 941.8676 2.0E2 END IONS BEGIN IONS FEATURE_ID=4785 PEPMASS=224.0913 SCANS=4785 RTINSECONDS=677.465 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.0348 3.7E2 98.9835 1.0E2 106.0304 1.2E3 108.0479 2.5E2 112.9064 1.3E2 138.0539 6.4E2 139.0589 3.0E2 291.1255 1.0E2 END IONS BEGIN IONS FEATURE_ID=4819 PEPMASS=305.1053 SCANS=4819 RTINSECONDS=688.914 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0258 1.0E2 96.9595 3.1E3 97.0164 1.3E2 97.0478 1.4E2 101.0228 1.8E2 102.9594 1.8E2 130.9656 2.3E2 147.9373 1.1E2 170.8833 1.4E2 174.0448 1.2E2 192.0361 1.1E2 195.0494 1.2E2 209.9059 1.1E2 305.1072 9.6E2 306.1038 4.1E2 306.1455 1.0E2 510.3304 1.4E2 END IONS BEGIN IONS FEATURE_ID=4824 PEPMASS=809.2474 SCANS=4824 RTINSECONDS=690.839 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 96.9598 1.3E2 119.0543 2.1E2 132.0182 2.7E2 132.0235 1.2E2 134.0251 1.2E2 145.0235 5.2E2 145.0301 5.1E2 146.0356 2.5E2 146.5700 1.1E2 149.0402 1.2E2 151.0525 1.6E2 160.0150 5.6E2 160.0213 5.1E2 161.0241 1.2E2 161.0509 1.1E2 163.0365 1.1E3 173.5665 1.1E2 175.0386 8.2E3 175.1170 1.4E2 175.1503 1.5E2 175.3938 1.3E2 176.0385 2.3E2 176.0453 5.5E2 176.2110 1.4E2 177.0383 1.4E2 177.0544 1.7E2 193.0483 2.6E2 203.0723 1.1E2 204.0728 1.3E2 206.0477 2.3E2 219.0903 1.6E2 225.0264 1.5E2 231.0582 1.4E2 232.0761 1.0E2 265.0749 4.2E2 265.4324 1.1E2 269.1666 1.1E2 307.0760 6.2E2 309.0463 1.4E2 318.9797 1.2E2 321.0422 1.6E2 324.9928 2.6E2 326.0881 1.1E2 332.0113 1.2E2 337.0697 1.2E2 337.0915 2.5E2 399.0360 1.1E2 469.1383 2.7E2 487.1433 2.4E3 487.8150 1.0E2 488.1564 4.2E2 502.1269 1.1E2 510.1925 1.1E2 517.1534 2.5E2 517.1657 2.3E2 524.3221 2.0E2 549.0694 1.0E2 619.8479 1.6E2 663.1961 1.4E3 664.1872 5.2E2 664.1990 2.3E2 665.1993 2.2E2 673.0353 1.8E2 700.1129 1.0E2 809.2530 1.1E2 810.2412 1.6E2 END IONS BEGIN IONS FEATURE_ID=4826 PEPMASS=505.0497 SCANS=4826 RTINSECONDS=691.495 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 160.1006 1.4E2 179.1297 1.4E2 186.8743 1.0E2 187.0391 1.9E2 200.0524 1.2E2 201.1111 1.1E2 225.8023 1.0E2 226.1359 2.6E2 243.0436 1.0E2 258.4413 2.4E2 271.1776 1.0E2 281.0422 1.3E2 282.0405 1.0E2 283.0278 1.3E2 284.0312 4.0E3 285.0384 1.4E4 285.1199 3.9E2 285.1459 4.8E2 285.1933 5.0E2 285.4793 1.0E2 286.0395 2.6E3 286.1199 1.2E2 286.1263 1.1E2 287.0401 1.3E2 299.0424 1.8E2 335.9685 1.1E2 447.0863 2.3E3 447.1782 1.3E2 448.0936 1.1E2 448.1285 1.7E2 END IONS BEGIN IONS FEATURE_ID=4827 PEPMASS=510.0862 SCANS=4827 RTINSECONDS=691.495 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 70.5441 1.6E2 150.9956 2.0E2 163.0319 1.6E2 165.0494 1.8E2 225.0083 1.3E2 228.4696 1.1E2 233.0615 1.1E2 283.0138 3.5E2 285.0386 1.9E3 286.0415 3.8E2 296.0197 2.8E2 300.1006 2.6E2 309.8440 1.3E2 326.0236 1.0E2 392.5102 1.4E2 447.0902 9.4E3 447.1897 2.7E2 447.2052 2.4E2 447.2807 3.1E2 447.2938 1.3E2 447.3385 1.0E2 447.8773 1.3E2 448.0914 2.6E3 448.1523 1.5E2 449.0920 6.7E2 475.1727 1.1E2 482.2147 1.0E2 510.0546 1.4E2 510.1921 1.6E2 511.1066 1.1E2 512.0484 2.3E2 END IONS BEGIN IONS FEATURE_ID=4834 PEPMASS=579.1774 SCANS=4834 RTINSECONDS=693.419 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0106 1.2E2 93.0354 1.4E2 100.9271 1.6E2 101.0241 2.1E2 119.0437 2.9E2 124.0119 1.1E2 135.0424 1.3E2 137.0260 1.6E2 151.0007 8.2E2 151.0296 3.4E2 151.0618 1.5E2 152.0032 1.8E2 159.7398 1.4E2 164.0078 1.2E2 166.0222 3.7E2 167.0361 1.4E2 177.0209 2.0E2 179.0291 2.2E2 181.0468 4.0E2 182.0559 1.5E2 193.0079 2.5E2 208.9564 1.5E2 229.0915 1.3E2 271.0578 1.3E3 271.1514 1.1E2 271.7294 1.1E2 272.0614 1.5E2 283.0868 1.2E2 312.8217 1.9E2 331.0730 1.4E2 337.0197 1.3E2 402.1242 1.6E2 610.8082 1.2E2 END IONS BEGIN IONS FEATURE_ID=4843 PEPMASS=463.0875 SCANS=4843 RTINSECONDS=695.154 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 96.9604 4.5E2 108.0239 1.4E2 148.0134 1.3E2 151.0040 3.3E2 153.0035 2.6E2 229.1229 1.0E2 243.0393 2.5E2 254.0189 1.9E2 254.8375 1.1E2 255.0306 2.2E2 262.8324 1.1E2 265.0534 1.6E2 271.0241 1.3E3 272.0273 4.7E2 300.0296 1.5E3 301.0303 6.5E2 302.0306 2.8E2 END IONS BEGIN IONS FEATURE_ID=4848 PEPMASS=447.0903 SCANS=4848 RTINSECONDS=696.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 12 (0 removed due to low quality, 9 removed due to low cosine). 107.0151 3.1E2 133.0267 4.8E2 149.0211 3.8E2 149.9902 1.4E2 151.0015 4.9E2 151.9998 2.8E2 158.0398 1.2E2 160.0136 1.1E2 173.0553 1.3E2 175.0360 1.7E2 187.0334 1.3E2 199.0409 3.2E2 200.0392 1.6E2 200.0491 1.1E2 212.0475 1.6E2 217.0412 1.0E2 227.0308 6.4E2 228.0342 1.8E2 240.0341 1.7E2 255.0357 1.4E2 256.0462 1.3E2 269.0417 1.9E2 279.0485 1.5E2 283.0660 1.3E2 284.0314 1.3E4 284.1790 2.4E2 284.4284 1.4E2 285.0354 1.7E4 285.1901 3.4E2 285.6062 1.2E2 285.6343 1.0E2 286.0399 3.7E3 286.0998 2.6E2 286.1138 1.1E2 286.1926 1.6E2 287.0410 5.0E2 288.3673 1.1E2 END IONS BEGIN IONS FEATURE_ID=4850 PEPMASS=483.0674 SCANS=4850 RTINSECONDS=696.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 133.0261 1.3E2 142.9503 1.0E2 151.0029 2.5E2 171.0403 1.0E2 188.0367 1.6E2 191.0336 1.6E2 199.0345 1.1E2 212.0405 1.1E2 268.0271 1.0E2 284.0316 4.9E3 284.1673 1.1E2 285.0383 1.4E4 285.1893 4.7E2 285.6622 1.2E2 285.8263 1.0E2 286.0419 1.9E3 286.1444 1.3E2 286.7969 1.4E2 287.0481 1.5E2 327.0416 1.4E2 447.0904 1.8E3 447.1646 1.2E2 448.0950 2.3E2 END IONS BEGIN IONS FEATURE_ID=4853 PEPMASS=515.0772 SCANS=4853 RTINSECONDS=696.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 10 (0 removed due to low quality, 8 removed due to low cosine). 93.0338 2.3E2 105.0296 1.3E2 132.0472 1.1E2 144.9616 1.1E2 207.2466 1.0E2 255.0526 1.8E2 279.0558 1.2E2 282.9958 1.3E2 284.0315 1.6E3 285.0398 6.9E3 285.1742 1.2E2 285.1942 1.4E2 285.6200 1.1E2 286.0391 8.9E2 286.0860 1.4E2 287.0343 3.7E2 301.1301 1.0E2 303.0846 2.3E2 326.0404 1.2E2 328.0337 1.2E2 351.0394 1.6E2 369.0262 1.7E2 375.9787 1.1E2 447.0832 8.0E2 448.0978 2.5E2 450.1149 1.9E2 688.0081 1.0E2 END IONS BEGIN IONS FEATURE_ID=4855 PEPMASS=895.1878 SCANS=4855 RTINSECONDS=696.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 6 (0 removed due to low quality, 0 removed due to low cosine). 87.8885 1.8E2 130.0404 2.6E2 132.0223 1.5E2 177.0191 1.3E2 199.0384 3.0E2 227.0330 1.3E2 284.0279 1.1E2 284.0319 1.4E3 285.0384 1.2E4 285.1985 2.8E2 286.0373 1.9E3 286.0453 4.6E2 286.0511 1.3E2 286.0947 1.8E2 287.0455 3.6E2 327.0434 1.8E2 334.1557 1.0E2 447.0036 1.5E2 447.0910 7.2E4 447.9459 3.8E2 448.0942 1.6E4 448.2005 2.4E2 448.2283 2.1E2 448.2856 5.6E2 448.3233 1.7E2 448.5016 1.7E2 448.5410 1.7E2 448.5870 1.5E2 448.6643 1.5E2 448.7284 2.2E2 448.7972 1.5E2 448.8150 1.3E2 449.0974 3.0E3 449.1751 1.2E2 449.1857 1.4E2 449.2351 1.1E2 449.2839 1.8E2 449.3302 1.5E2 449.7347 1.4E2 449.7728 1.2E2 449.8359 1.1E2 449.8555 1.2E2 450.0903 4.1E2 895.2004 1.5E2 897.1854 1.3E2 END IONS BEGIN IONS FEATURE_ID=4856 PEPMASS=896.1913 SCANS=4856 RTINSECONDS=696.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 199.0368 1.2E2 211.0323 1.4E2 284.0409 2.8E2 285.0374 3.4E3 286.0387 1.6E3 287.0461 1.9E2 289.8147 1.2E2 329.0491 1.2E2 447.0914 7.4E3 447.4050 1.7E2 447.8594 1.9E2 448.0939 9.5E3 448.7710 1.3E2 449.0958 1.7E3 449.2276 1.8E2 449.9332 1.3E2 451.1151 1.1E2 601.0352 1.2E2 END IONS BEGIN IONS FEATURE_ID=4869 PEPMASS=505.0496 SCANS=4869 RTINSECONDS=700.721 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 121.0292 1.2E2 133.0255 1.2E2 284.0347 1.8E3 284.1896 1.0E2 285.0394 5.3E3 285.2353 1.1E2 285.4286 1.2E2 285.7249 1.5E2 285.7779 1.2E2 286.0439 1.0E3 287.3344 1.0E2 328.0521 1.0E2 341.0118 1.5E2 447.0824 2.3E2 447.1374 1.3E2 448.1397 1.2E2 END IONS BEGIN IONS FEATURE_ID=4890 PEPMASS=144.0445 SCANS=4890 RTINSECONDS=704.968 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 65.0055 1.6E2 65.9964 1.0E2 114.0343 1.8E2 115.0430 4.9E2 404.0705 1.3E2 END IONS BEGIN IONS FEATURE_ID=4915 PEPMASS=195.0291 SCANS=4915 RTINSECONDS=711.525 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 92.0259 5.2E2 96.9565 1.5E2 498.2643 1.5E2 END IONS BEGIN IONS FEATURE_ID=4926 PEPMASS=305.1052 SCANS=4926 RTINSECONDS=716.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.9584 2.5E2 96.9596 4.1E3 97.0474 2.1E2 97.0750 1.0E2 98.9563 2.6E2 106.0654 2.0E2 136.9200 4.7E2 136.9489 1.4E2 167.8754 1.1E2 201.5898 1.1E2 634.9992 1.2E2 END IONS BEGIN IONS FEATURE_ID=4948 PEPMASS=369.1448 SCANS=4948 RTINSECONDS=721.426 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 72.9962 1.4E2 78.9563 1.0E2 79.0537 2.1E2 91.0593 2.0E2 93.0341 1.9E3 93.0643 1.1E2 94.0409 1.9E2 96.9571 2.6E2 97.0698 1.3E2 108.0234 1.4E2 108.0544 3.0E2 109.0273 1.0E2 118.0259 2.9E2 122.0318 1.8E2 133.0194 1.1E2 134.0390 2.6E2 134.0445 1.3E2 134.1000 1.2E2 135.0440 1.3E4 135.1350 1.5E2 135.1512 3.3E2 136.0461 2.0E3 136.0832 1.3E2 136.1056 1.1E2 136.3813 1.3E2 137.0414 1.2E2 159.0304 1.0E2 161.0193 1.7E2 161.0446 1.4E2 167.0672 1.8E2 175.0710 2.1E2 177.0454 2.7E2 183.9242 1.5E2 190.0516 2.4E2 206.8739 1.2E2 207.1149 6.3E2 232.1031 1.1E2 233.0938 1.1E3 246.0189 1.3E2 248.2158 1.6E2 249.1145 4.2E2 249.1234 1.8E3 249.1771 1.1E2 250.1198 3.8E2 265.0505 1.1E2 266.0604 2.9E2 267.0648 1.3E2 275.1010 2.3E2 324.9495 1.1E2 335.1629 2.7E2 337.0487 1.0E2 369.1492 8.9E2 END IONS BEGIN IONS FEATURE_ID=4950 PEPMASS=463.0876 SCANS=4950 RTINSECONDS=721.426 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 69.0332 1.8E2 79.9577 1.7E2 151.0020 4.2E2 167.0578 1.5E2 194.8846 1.0E2 195.0087 1.2E2 214.0075 1.7E2 243.0274 2.9E2 255.0243 2.4E2 256.0251 2.0E2 271.0199 1.0E3 272.0199 6.3E2 273.0238 2.1E2 283.0323 1.2E2 297.3567 1.3E2 299.0136 1.9E2 300.0242 9.4E2 301.0274 8.9E2 301.0953 1.1E2 302.0215 1.5E2 303.0264 2.7E2 341.0005 1.3E2 465.2696 1.5E2 END IONS BEGIN IONS FEATURE_ID=4951 PEPMASS=555.1632 SCANS=4951 RTINSECONDS=721.426 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 110.0210 1.3E2 135.0423 3.0E2 150.0309 1.3E2 161.0128 1.8E2 253.1059 1.1E2 255.0600 1.3E2 269.0452 1.8E2 289.0500 2.0E2 291.0683 1.0E2 294.0943 1.6E2 295.0509 2.0E2 298.8273 1.3E2 326.0728 1.3E2 330.7933 1.1E2 392.9269 1.5E2 648.3478 1.8E2 END IONS BEGIN IONS FEATURE_ID=4952 PEPMASS=160.0390 SCANS=4952 RTINSECONDS=721.426 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.0004 1.4E2 94.0274 1.3E2 100.6631 1.3E2 116.0497 3.0E3 116.1004 2.5E2 116.1490 1.3E2 117.0534 4.6E2 142.9414 1.2E2 146.8296 1.1E2 161.0244 1.5E2 356.4344 1.6E2 913.9623 1.1E2 936.7447 1.0E2 END IONS BEGIN IONS FEATURE_ID=4965 PEPMASS=369.1444 SCANS=4965 RTINSECONDS=729.39 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 80.0618 1.1E2 93.0328 9.1E2 93.0849 1.1E2 94.0348 1.5E2 107.0507 3.1E2 134.0365 3.8E2 135.0430 3.8E3 136.0431 4.5E2 190.0885 3.3E2 197.0579 1.7E2 207.1201 1.6E2 233.0866 1.1E2 249.1303 1.1E2 END IONS BEGIN IONS FEATURE_ID=4971 PEPMASS=391.1018 SCANS=4971 RTINSECONDS=731.76 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 5 (0 removed due to low quality, 3 removed due to low cosine). 72.0497 1.5E2 72.9943 1.5E3 93.0375 1.1E2 104.0545 1.2E2 105.0399 1.0E2 107.0468 3.1E2 107.0530 1.3E2 117.0347 2.2E2 123.0403 2.4E2 123.0456 3.0E2 128.8965 1.4E2 133.0291 1.4E3 134.0347 2.5E2 135.0437 2.2E3 135.0891 2.0E2 151.0287 1.1E2 158.0330 1.0E2 161.0234 4.5E3 161.1365 1.4E2 162.0199 1.9E2 162.0262 3.5E2 179.0304 1.8E2 179.0369 3.7E2 180.0386 2.0E2 197.0429 1.3E2 201.1071 1.6E2 212.1201 1.1E2 END IONS BEGIN IONS FEATURE_ID=4980 PEPMASS=463.0873 SCANS=4980 RTINSECONDS=734.381 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 65.0050 1.2E2 112.9984 1.7E2 151.0038 3.8E2 175.0064 1.1E2 178.9947 3.7E2 197.0539 1.3E2 243.0251 2.5E2 255.0265 8.0E2 255.0915 1.4E2 271.0234 8.4E2 272.0272 4.8E2 273.0261 2.1E2 287.8041 1.3E2 300.0267 1.7E3 300.1058 1.3E2 300.1511 1.4E2 301.0339 5.0E2 302.0385 1.3E2 302.5000 1.3E2 END IONS BEGIN IONS FEATURE_ID=4986 PEPMASS=785.2477 SCANS=4986 RTINSECONDS=734.436 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 71.0124 1.1E2 89.0216 2.0E2 113.0221 7.7E2 161.0248 1.5E3 162.0236 1.1E2 179.0350 1.8E2 305.0598 1.2E2 336.4161 1.4E2 386.0953 2.1E2 451.0467 1.1E2 461.1614 3.1E2 462.1708 1.6E2 555.0044 1.6E2 588.9276 1.2E2 609.1238 1.2E2 610.8097 1.1E2 623.2099 1.1E3 623.2235 3.2E2 624.2132 4.6E2 639.9656 1.9E2 667.1520 1.0E2 696.9991 1.0E2 747.1991 1.2E2 785.2471 4.1E3 785.4110 3.8E2 785.4904 1.5E2 785.6537 1.5E2 786.2503 1.6E3 786.7648 1.1E2 787.1002 1.9E2 787.2507 7.2E2 787.4125 1.2E2 788.2637 1.3E2 789.1634 2.7E2 END IONS BEGIN IONS FEATURE_ID=4994 PEPMASS=347.1510 SCANS=4994 RTINSECONDS=739.292 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.0552 1.1E2 83.0295 2.2E2 97.0654 2.0E2 127.0209 1.0E3 141.0349 4.5E2 143.0525 1.7E3 143.1147 1.5E2 144.0514 1.7E2 146.0296 2.5E2 152.0401 2.5E2 187.0817 1.5E2 271.1145 1.0E2 285.1232 1.6E2 287.0959 2.7E2 END IONS BEGIN IONS FEATURE_ID=4995 PEPMASS=305.1050 SCANS=4995 RTINSECONDS=739.74 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 72.9881 1.5E2 73.0358 1.5E2 78.9583 1.7E2 79.9592 2.6E2 86.9761 3.6E2 96.9608 1.8E4 97.0483 6.1E2 97.0716 3.4E2 97.0766 1.4E2 97.3184 1.3E2 97.9595 1.5E2 98.9566 8.8E2 105.0200 2.1E2 109.0345 1.2E2 117.0328 1.1E2 130.9646 4.4E2 170.8912 1.8E2 174.9512 1.2E2 177.8464 1.4E2 191.0659 1.3E2 193.0823 1.3E2 234.0179 1.5E2 305.1056 2.8E3 305.2160 1.2E2 306.1016 4.4E2 306.1134 2.6E2 307.1127 3.8E2 386.3745 1.7E2 414.8958 1.0E2 451.6903 1.7E2 END IONS BEGIN IONS FEATURE_ID=5006 PEPMASS=455.1028 SCANS=5006 RTINSECONDS=745.584 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.9567 4.9E2 80.9578 1.0E2 81.9513 2.4E2 87.0118 1.1E2 88.0381 1.4E2 93.0392 1.1E2 95.9506 4.6E2 96.5973 1.0E2 96.9605 1.5E3 109.9617 2.6E2 136.9840 1.4E2 137.0238 1.1E2 171.1048 1.6E2 218.9847 1.4E2 285.0432 1.9E2 361.1137 1.6E2 398.0066 2.2E2 455.1219 1.2E2 457.0875 1.2E2 END IONS BEGIN IONS FEATURE_ID=5014 PEPMASS=353.1502 SCANS=5014 RTINSECONDS=748.183 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.0532 1.1E2 93.0331 1.6E3 93.1216 1.6E2 107.0464 2.3E2 119.0504 2.1E3 119.1474 1.2E2 120.0490 1.4E2 121.0253 1.4E2 136.0431 1.1E2 163.8837 2.1E2 183.0448 1.4E2 188.0959 1.5E2 234.1302 1.1E2 END IONS BEGIN IONS FEATURE_ID=5017 PEPMASS=313.1165 SCANS=5017 RTINSECONDS=749.778 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 94.0674 3.6E2 104.0539 2.0E2 105.0541 1.5E2 107.0358 7.6E2 107.0643 4.9E2 108.0409 1.1E2 122.0627 1.1E3 133.0376 1.2E2 148.0423 4.4E2 152.0708 1.1E2 160.0387 3.5E2 201.8276 1.1E2 207.0226 1.1E2 225.8691 1.1E2 END IONS BEGIN IONS FEATURE_ID=5019 PEPMASS=389.1273 SCANS=5019 RTINSECONDS=750.65 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 72.9927 2.3E2 73.0356 1.6E2 75.0053 1.5E2 80.9167 1.0E2 81.0393 1.3E2 82.0374 1.0E2 92.9229 1.4E2 93.0344 3.5E3 94.0367 2.2E2 96.9578 1.6E2 104.9652 1.8E2 105.0343 2.8E2 118.0335 2.8E2 119.0504 7.1E3 119.1196 2.2E2 119.1509 2.6E2 119.3374 1.0E2 120.0422 2.0E2 120.0514 6.9E2 123.0441 2.3E2 123.0484 2.0E2 133.0264 5.4E2 133.0371 2.7E2 134.0317 1.6E2 135.0430 9.0E2 136.9206 1.3E2 145.0290 2.1E2 146.0455 1.2E2 150.0284 4.4E2 161.0207 1.6E3 166.0196 1.3E2 166.8615 1.1E2 172.0798 2.7E2 172.0887 1.1E2 179.0261 2.2E2 181.0445 1.6E2 182.0313 2.3E2 183.0528 1.2E2 183.0637 1.1E2 186.8655 1.2E2 190.0754 1.1E2 190.0865 5.9E2 191.0829 1.1E2 191.1246 1.1E2 201.0451 2.2E2 205.0991 1.7E2 207.1096 3.1E2 207.8926 1.2E2 216.0942 1.4E2 216.1030 2.6E2 216.9135 1.5E2 233.1187 1.8E2 233.1274 8.8E2 237.0488 1.2E2 268.0391 2.3E2 270.1415 1.7E2 274.0954 1.4E2 275.0115 1.0E2 304.0888 1.7E2 745.7330 1.9E2 END IONS BEGIN IONS FEATURE_ID=5027 PEPMASS=391.1027 SCANS=5027 RTINSECONDS=751.655 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9899 2.2E2 134.0420 1.4E2 135.0449 2.5E2 159.5866 1.1E2 160.9071 1.9E2 161.0221 2.4E3 161.0982 1.4E2 161.1684 1.9E2 162.0222 4.2E2 162.0618 1.2E2 179.0371 5.4E2 180.0378 1.3E2 182.0402 1.2E2 197.0488 7.5E2 197.0975 1.6E2 233.0620 1.0E2 301.8102 2.4E2 307.8379 1.1E2 311.1604 1.1E2 336.0281 1.1E2 359.0884 2.0E2 360.0775 1.4E2 393.1868 1.0E2 END IONS BEGIN IONS FEATURE_ID=5031 PEPMASS=799.1877 SCANS=5031 RTINSECONDS=753.181 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 102.9576 1.4E2 109.0216 1.7E2 188.0458 2.0E2 229.0093 1.1E2 265.0318 1.5E2 273.0337 1.4E2 309.0883 1.2E2 310.0839 2.7E2 312.1005 1.2E2 327.1167 1.9E2 340.0624 1.5E2 353.0553 1.7E2 354.0760 1.4E2 365.1006 1.6E2 367.0390 1.1E2 367.0896 1.3E2 369.0948 3.3E2 369.1361 1.3E2 370.0961 1.5E2 371.1133 1.5E2 393.0170 1.2E2 396.0851 2.6E2 400.0131 1.2E2 443.1304 2.4E2 467.0964 1.4E2 483.1319 1.7E2 498.1086 1.0E2 514.1444 1.1E2 515.1174 1.0E2 519.1849 1.2E2 523.4871 1.3E2 541.1219 1.6E2 547.2047 1.6E2 559.0178 1.0E2 579.1406 1.2E2 583.2117 1.0E2 718.1501 1.2E2 719.1997 1.3E2 720.1895 1.1E2 731.1948 1.2E2 732.8467 1.2E2 733.1996 1.1E2 748.1871 2.9E2 763.2072 4.9E3 763.4491 1.4E2 763.5269 1.0E2 764.2081 1.7E3 765.2231 7.6E2 765.3530 1.0E2 800.1662 1.1E2 938.2373 1.2E2 END IONS BEGIN IONS FEATURE_ID=5039 PEPMASS=579.1706 SCANS=5039 RTINSECONDS=756.582 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 83.0143 1.1E2 93.0343 1.2E2 97.0290 2.6E2 101.0207 1.5E2 107.0149 1.0E2 119.0449 2.9E2 119.0491 5.5E2 135.0380 1.2E2 136.0204 1.0E2 136.0512 1.5E2 150.9939 1.3E2 151.0013 2.5E3 151.0782 1.0E2 152.0042 3.2E2 161.0414 1.3E2 165.0148 3.1E2 174.9984 2.0E2 175.0065 2.3E2 190.9966 1.5E2 193.0057 1.1E2 195.4461 1.0E2 218.0570 1.5E2 219.0244 1.2E2 227.0727 1.1E2 228.9136 1.7E2 236.9660 2.1E2 238.8712 1.3E2 253.0527 2.0E2 271.0606 8.0E3 271.1310 1.8E2 271.1592 1.5E2 271.2127 3.3E2 272.0622 1.8E3 272.3370 1.5E2 274.0692 1.6E2 286.8747 1.5E2 299.0798 1.5E2 300.0300 1.2E2 301.0152 1.2E2 313.0684 1.6E2 363.0684 1.3E2 380.9724 2.4E2 463.0724 2.1E2 543.1072 1.8E2 544.1287 1.3E2 578.9329 1.8E2 579.1631 1.2E3 579.2760 1.7E2 580.1642 2.8E2 580.2450 1.4E2 777.9388 1.2E2 813.0330 1.3E2 890.6457 1.4E2 END IONS BEGIN IONS FEATURE_ID=5040 PEPMASS=615.1474 SCANS=5040 RTINSECONDS=756.582 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 89.0243 3.6E2 93.0348 3.4E2 93.0395 2.1E2 97.0311 1.7E2 107.0227 1.3E2 109.0282 1.8E2 118.4496 1.4E2 119.0482 6.0E2 125.0201 1.0E2 128.7932 1.7E2 131.0272 1.3E2 135.0472 2.5E2 149.0616 1.5E2 151.0031 2.3E3 165.0215 1.1E2 171.0772 2.7E2 173.0236 1.0E2 175.0033 4.5E2 177.0155 1.1E2 180.0290 1.2E2 187.0336 1.1E2 190.9881 1.1E2 191.0467 1.4E2 193.0113 2.5E2 227.0690 2.4E2 229.0442 1.5E2 238.9763 1.5E2 246.9407 1.2E2 261.1125 1.1E2 267.0602 1.3E2 269.5011 1.4E2 271.0600 1.4E4 271.1324 3.2E2 271.2056 4.1E2 271.2154 1.6E2 272.0626 3.9E3 272.0737 2.7E2 272.1432 1.2E2 272.1559 1.2E2 272.2088 1.4E2 272.7469 1.2E2 273.4492 1.2E2 294.0891 1.7E2 295.0541 2.6E2 308.8834 1.3E2 313.0539 1.4E2 313.0613 1.1E2 339.1087 1.4E2 357.0560 2.5E2 410.0714 1.3E2 579.1695 3.1E3 579.2901 4.2E2 579.3820 1.7E2 580.1691 9.3E2 580.3156 1.5E2 581.1728 2.0E2 581.4379 1.2E2 615.2695 4.5E2 616.2849 1.4E2 621.1514 1.0E2 END IONS BEGIN IONS FEATURE_ID=5051 PEPMASS=521.1279 SCANS=5051 RTINSECONDS=761.268 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9931 3.0E2 93.0337 2.5E2 105.0369 2.1E2 121.5502 1.3E2 123.0463 1.5E2 135.0426 5.2E2 136.0411 1.9E2 161.0225 9.1E2 162.0206 1.3E2 179.0296 3.0E2 180.0409 2.2E2 182.0461 1.4E2 185.9412 1.4E2 197.0445 8.2E2 223.0888 1.1E2 255.0249 2.0E2 316.1454 1.0E2 323.0655 1.8E2 325.1754 1.4E2 326.0274 1.1E2 333.0386 1.5E2 370.7364 1.6E2 378.1069 2.0E2 END IONS BEGIN IONS FEATURE_ID=5055 PEPMASS=231.1223 SCANS=5055 RTINSECONDS=764.298 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 104.0394 1.1E2 120.9410 8.3E2 122.9401 1.0E2 130.9654 1.2E2 136.9991 1.5E2 140.9574 3.1E2 141.9806 1.6E2 156.9542 4.4E2 164.9267 2.7E2 166.8640 2.2E2 169.1219 5.3E2 170.1195 1.1E2 171.1033 1.7E3 173.0402 1.0E2 184.8731 2.6E2 186.8769 1.8E2 231.1163 1.6E2 290.4915 1.0E2 END IONS BEGIN IONS FEATURE_ID=5056 PEPMASS=493.1474 SCANS=5056 RTINSECONDS=766.703 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 135.0447 2.8E2 149.0139 1.1E2 429.1258 1.1E2 END IONS BEGIN IONS FEATURE_ID=5068 PEPMASS=745.3005 SCANS=5068 RTINSECONDS=767.547 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0125 3.9E2 89.0233 3.9E2 92.9309 1.5E2 101.0198 4.3E2 114.0277 1.4E2 125.0586 2.6E2 160.0203 2.0E2 160.4637 1.2E2 179.0314 1.7E2 203.0760 1.4E2 221.0642 1.7E2 251.8024 1.6E2 266.9845 1.1E2 328.9733 1.2E2 337.0237 1.2E2 355.0647 1.6E2 358.1269 1.3E2 369.9856 1.1E2 374.0477 1.6E2 387.2277 1.5E2 408.1484 1.1E2 438.9899 1.1E2 483.1822 1.1E2 514.1068 1.2E2 529.2761 1.5E2 547.2642 3.5E2 548.2821 1.0E2 548.9868 1.4E2 709.3141 7.7E2 710.3022 1.2E2 833.3788 2.4E2 868.9970 1.2E2 END IONS BEGIN IONS FEATURE_ID=5075 PEPMASS=755.2382 SCANS=5075 RTINSECONDS=769.128 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 3 (0 removed due to low quality, 1 removed due to low cosine). 71.0145 1.8E2 101.0214 1.6E2 103.0432 1.2E2 109.0276 1.5E2 113.0242 1.2E3 133.0320 1.4E2 135.0438 4.8E2 161.0250 4.6E3 161.0909 2.1E2 161.1106 1.1E2 161.1423 1.3E2 162.0214 1.7E2 162.0263 1.4E2 164.0342 1.7E2 177.0745 2.2E2 178.0206 2.0E2 179.0000 1.1E2 179.0341 2.0E2 191.0303 1.3E2 205.0850 1.2E2 231.0867 1.6E2 251.0588 2.4E2 294.8862 2.0E2 323.0626 1.3E2 335.0004 1.3E2 344.0198 1.1E2 345.9910 1.0E2 375.0191 1.1E2 383.0151 1.2E2 397.0420 1.3E2 449.0827 2.0E2 461.1644 1.3E3 462.1594 1.1E2 462.1763 2.0E2 463.1658 2.0E2 484.6838 1.4E2 517.9664 1.7E2 543.2096 1.7E2 577.6286 1.0E2 593.2093 2.3E3 594.2214 7.9E2 595.1308 1.2E2 595.2071 1.3E2 623.1850 1.7E2 623.2031 3.2E2 624.1923 1.3E2 679.7539 1.3E2 755.2338 2.2E3 755.3759 1.4E2 756.2386 1.1E3 756.3289 1.4E2 756.3524 1.3E2 757.2313 1.8E2 994.8601 1.2E2 END IONS BEGIN IONS FEATURE_ID=5079 PEPMASS=521.1300 SCANS=5079 RTINSECONDS=772.235 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 20 (0 removed due to low quality, 19 removed due to low cosine). 72.9930 7.2E2 120.9331 1.5E2 135.0392 5.3E2 138.0616 1.6E2 141.0914 1.1E2 161.0236 3.8E2 162.0287 1.2E2 166.9510 1.3E2 173.0176 1.1E2 179.0313 4.6E2 180.0336 2.6E2 197.0427 1.7E3 198.0352 1.9E2 209.0709 2.2E2 220.1061 2.0E2 261.0182 2.5E2 280.0845 1.7E2 300.0249 1.4E2 307.1881 1.2E2 323.1781 1.0E2 347.1275 1.7E2 394.3248 1.6E2 418.2736 1.5E2 END IONS BEGIN IONS FEATURE_ID=5099 PEPMASS=799.2638 SCANS=5099 RTINSECONDS=781.779 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0275 3.4E2 92.9254 1.5E2 113.0224 5.8E2 132.0194 1.0E2 135.0430 2.2E2 153.0540 1.1E2 161.0249 2.1E2 175.0428 4.1E2 179.0495 1.1E2 193.0531 6.0E2 194.0507 1.8E2 195.0555 2.5E2 197.0376 2.4E2 202.0537 1.3E2 245.0726 2.8E2 252.9838 1.0E2 265.0675 2.5E2 324.0735 1.6E2 430.0828 1.9E2 461.1551 1.6E2 469.1480 1.3E2 523.1765 1.1E2 606.2261 1.5E2 623.2130 8.8E2 624.2325 1.5E2 637.2120 1.7E2 799.2755 6.5E2 801.3013 1.6E2 END IONS BEGIN IONS FEATURE_ID=5117 PEPMASS=151.0390 SCANS=5117 RTINSECONDS=794.463 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 78.9593 1.1E2 91.0187 1.3E2 91.5089 1.0E2 92.0262 8.2E3 92.0596 4.2E2 92.1150 3.5E2 93.0306 8.3E2 93.0341 1.2E2 107.0447 1.1E2 108.0163 1.0E2 136.0178 5.9E2 137.0222 1.2E2 426.1156 1.6E2 434.4831 1.1E2 613.4291 1.2E2 796.6511 1.5E2 962.8017 1.0E2 END IONS BEGIN IONS FEATURE_ID=5119 PEPMASS=615.2758 SCANS=5119 RTINSECONDS=791.875 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0237 1.5E2 113.0234 3.2E2 151.0092 1.5E2 152.0047 2.0E2 158.2847 1.2E2 244.0676 2.6E2 271.0570 6.3E2 271.1519 1.2E2 273.0527 2.5E2 377.1191 1.7E2 417.2463 1.2E2 579.2905 1.3E2 736.6750 1.7E2 END IONS BEGIN IONS FEATURE_ID=5137 PEPMASS=733.1948 SCANS=5137 RTINSECONDS=797.181 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 69.9493 1.1E2 123.0478 1.3E2 165.0748 1.5E2 171.1298 1.5E2 200.0098 1.5E2 227.0410 1.0E2 229.0142 4.8E2 230.0160 1.3E2 230.1348 1.3E2 233.0632 1.2E2 243.0287 1.4E2 269.0830 1.6E2 291.0575 1.4E2 296.0673 1.3E2 308.0637 2.5E2 311.1314 1.2E2 326.0739 1.1E2 339.0835 2.4E2 341.1164 3.3E2 352.0584 3.8E2 353.0580 1.5E2 367.0796 1.1E3 368.0855 4.3E2 390.1430 1.1E2 468.1011 1.3E2 512.9875 1.8E2 514.1195 1.3E2 541.1286 1.7E2 677.1870 1.3E2 733.1907 2.3E2 734.1947 1.5E2 END IONS BEGIN IONS FEATURE_ID=5138 PEPMASS=763.2042 SCANS=5138 RTINSECONDS=797.181 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 87.0094 1.6E2 101.0205 2.1E2 114.0228 1.6E2 259.0320 2.0E2 273.0309 1.2E2 295.0553 3.9E2 309.0753 4.4E2 310.0821 3.6E2 325.1123 1.3E2 326.0574 1.2E2 326.1181 1.1E2 327.0912 2.0E2 352.0087 1.0E2 353.0795 2.4E2 354.0654 2.7E2 361.0148 1.1E2 369.0980 5.1E2 370.0973 2.4E2 371.1258 1.1E2 372.0972 1.0E2 381.0533 3.1E2 382.0574 1.5E2 396.0862 1.4E2 427.0906 2.7E2 442.1045 1.0E2 443.2671 1.4E2 498.0873 1.7E2 499.1163 1.7E2 513.1195 3.9E2 531.1346 1.0E2 678.1856 1.1E2 748.1772 1.5E2 763.1996 4.5E2 764.1958 3.3E2 END IONS BEGIN IONS FEATURE_ID=5141 PEPMASS=187.0964 SCANS=5141 RTINSECONDS=799.343 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 75.7378 2.0E2 430.2115 1.2E2 493.8858 1.0E2 719.5772 1.1E2 END IONS BEGIN IONS FEATURE_ID=5145 PEPMASS=313.1171 SCANS=5145 RTINSECONDS=800.037 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 94.0680 2.3E2 104.0505 3.1E2 107.0393 8.0E2 122.0584 9.6E2 141.0432 1.0E2 148.0400 1.1E3 152.0725 2.1E2 153.0738 2.4E2 154.3647 1.2E2 161.0485 1.6E2 167.0622 1.4E2 185.0382 1.0E2 200.9023 1.3E2 207.8524 1.3E2 243.8096 1.1E2 293.9340 1.2E2 END IONS BEGIN IONS FEATURE_ID=5149 PEPMASS=555.1638 SCANS=5149 RTINSECONDS=802.025 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0250 1.6E2 96.9601 1.7E2 113.0309 1.4E2 114.0568 1.5E2 137.0247 1.6E2 151.0399 1.0E2 157.0212 1.5E2 164.8864 1.3E2 324.1084 1.5E2 340.0999 1.8E2 341.0720 2.6E2 907.5645 2.6E2 907.6338 1.2E2 END IONS BEGIN IONS FEATURE_ID=5154 PEPMASS=383.1612 SCANS=5154 RTINSECONDS=804.376 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 93.0326 3.1E2 94.0421 1.3E2 96.9586 2.1E2 134.0374 7.0E2 135.0453 4.8E2 136.0422 1.8E2 136.9025 1.4E2 148.0314 1.4E2 161.0599 1.1E2 190.0876 2.8E2 199.0747 1.5E2 215.0061 1.6E2 247.1019 2.6E2 248.1157 4.5E2 253.0332 1.1E2 263.1394 1.5E2 END IONS BEGIN IONS FEATURE_ID=5158 PEPMASS=405.1593 SCANS=5158 RTINSECONDS=804.423 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 86.0963 1.7E2 91.7277 1.3E2 127.0195 1.1E3 127.3859 1.3E2 127.6388 1.5E2 132.9383 1.6E2 141.0376 2.9E2 141.0651 1.2E2 142.0358 1.5E2 173.1073 1.3E2 203.0681 5.0E2 211.0367 4.4E2 214.0477 1.1E2 271.0402 1.2E2 287.0905 1.0E2 406.1408 2.1E2 END IONS BEGIN IONS FEATURE_ID=5163 PEPMASS=733.1980 SCANS=5163 RTINSECONDS=806.719 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 62.2407 1.9E2 66.8411 1.7E2 85.0242 2.0E2 87.0035 1.3E2 92.9252 1.7E2 159.8865 1.3E2 202.0431 1.0E2 208.0443 1.4E2 210.9858 1.0E2 229.0032 1.0E2 229.0131 5.4E2 230.0092 2.7E2 243.0261 2.3E2 244.0320 1.7E2 257.0906 1.6E2 258.8828 2.0E2 280.0682 1.5E2 281.0814 1.6E2 308.0680 1.2E2 315.0631 1.2E2 316.1201 1.8E2 321.1083 2.2E2 323.0931 1.7E2 324.0566 1.0E2 337.0263 5.8E2 339.0804 3.1E2 341.1003 2.4E2 351.0509 1.5E2 352.0466 1.6E2 367.0787 3.5E3 367.1905 1.2E2 367.7612 1.1E2 368.0817 5.8E2 369.0999 1.6E2 369.1105 1.4E2 379.4822 1.2E2 388.0649 1.1E2 388.9833 1.2E2 454.9680 1.0E2 483.1648 1.5E2 484.1296 1.4E2 492.1666 2.0E2 499.1187 1.3E2 504.0961 1.4E2 522.1882 1.4E2 553.1235 1.1E2 597.1024 1.8E2 644.6086 1.3E2 651.2098 1.2E2 719.1793 1.5E2 733.1881 2.3E3 733.4132 1.2E2 734.1923 1.3E3 735.1778 1.1E2 735.2115 3.6E2 735.3472 1.3E2 736.0320 1.3E2 736.1683 1.2E2 865.9557 1.0E2 890.4041 1.5E2 END IONS BEGIN IONS FEATURE_ID=5168 PEPMASS=287.1488 SCANS=5168 RTINSECONDS=806.784 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 172.0405 2.7E2 172.0847 1.7E2 END IONS BEGIN IONS FEATURE_ID=5182 PEPMASS=187.0957 SCANS=5182 RTINSECONDS=809.999 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 97.0621 1.4E2 125.0946 8.3E2 224.6410 1.2E2 471.7421 1.1E2 END IONS BEGIN IONS FEATURE_ID=5186 PEPMASS=623.1964 SCANS=5186 RTINSECONDS=811.925 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 70.6694 1.2E2 71.0109 1.3E2 85.0280 3.5E2 87.0095 1.6E2 89.0248 1.0E3 96.9196 1.0E2 101.0211 2.6E2 113.0229 2.7E3 113.0308 2.1E2 113.0705 1.6E2 119.0339 3.0E2 125.0175 1.2E2 131.0262 1.0E2 133.0264 1.0E2 133.3891 1.1E2 135.0438 9.4E2 135.0507 4.0E2 135.0876 1.0E2 135.5293 1.1E2 160.0357 1.8E2 161.0215 1.5E4 161.0888 2.4E2 161.1377 2.2E2 162.0260 2.4E3 162.0530 1.2E2 162.1268 1.2E2 163.0236 1.3E2 163.0299 2.9E2 179.0288 1.7E2 179.0348 1.8E2 179.0395 2.1E2 181.0456 1.1E2 186.0503 1.1E2 189.0488 1.5E2 191.0325 1.5E2 221.0438 1.4E2 233.0378 1.6E2 233.0621 1.5E2 251.0515 1.0E2 297.0873 1.7E2 297.0975 2.0E2 299.0482 1.0E2 301.0329 1.4E2 315.1053 1.2E2 316.1021 1.8E2 361.0912 1.2E2 402.1336 1.2E2 446.1965 1.2E2 461.1524 5.0E2 461.1624 1.2E3 461.1731 5.1E2 461.7540 1.4E2 462.1630 8.0E2 464.1713 1.8E2 579.2907 1.0E2 623.1766 1.5E2 623.1926 4.6E3 623.2087 2.3E2 623.2462 1.1E2 624.1971 2.4E3 624.3234 1.6E2 625.1925 4.5E2 692.1077 1.1E2 END IONS BEGIN IONS FEATURE_ID=5191 PEPMASS=763.2028 SCANS=5191 RTINSECONDS=812.393 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 73.0281 1.5E2 273.0369 4.1E2 274.0388 1.0E2 288.0247 1.8E2 295.0581 5.2E2 296.0558 1.4E2 309.0742 4.9E2 310.0764 7.0E2 311.0539 2.8E2 312.0945 2.3E2 324.2207 1.3E2 325.1048 1.6E2 354.0734 2.6E2 369.0988 4.1E2 370.1033 1.1E2 371.1132 1.4E2 372.1318 1.1E2 379.0769 2.4E2 381.0655 1.2E2 383.0660 1.9E2 384.0703 1.3E2 397.0867 1.5E2 421.0834 1.5E2 423.0831 1.2E2 460.1077 1.1E2 467.1253 2.1E2 482.1159 1.7E2 483.0944 1.2E2 484.1220 2.0E2 497.1494 1.2E2 498.1171 4.1E2 499.0924 2.7E2 625.1304 1.4E2 748.1946 1.8E2 749.1735 1.4E2 763.2037 5.4E2 764.2078 1.7E2 764.3605 1.0E2 END IONS BEGIN IONS FEATURE_ID=5199 PEPMASS=527.1345 SCANS=5199 RTINSECONDS=814.129 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0164 2.3E2 130.0850 2.3E2 135.0550 1.1E2 136.0144 1.8E2 159.1147 1.2E2 185.1112 1.1E2 192.9793 1.6E2 225.1448 1.8E2 240.0909 1.5E2 264.0349 1.5E2 268.0783 1.4E2 280.0690 1.3E2 281.0401 7.1E2 281.0994 1.1E2 283.0451 2.4E2 289.0946 1.3E2 296.0576 4.3E2 297.0693 1.4E2 298.0679 1.0E2 301.5303 1.5E2 310.0376 1.5E2 392.1401 1.2E2 653.7875 1.1E2 END IONS BEGIN IONS FEATURE_ID=5217 PEPMASS=764.2117 SCANS=5217 RTINSECONDS=819.013 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 73.0296 1.1E2 143.0379 1.4E2 248.0593 1.7E2 252.0437 2.0E2 295.0480 1.2E2 296.0655 2.2E2 309.0687 2.7E2 310.0742 5.4E2 310.1242 1.3E2 311.0814 2.0E2 312.0916 2.6E2 326.1092 1.4E2 335.0394 1.3E2 341.0474 1.3E2 353.0596 2.4E2 354.0855 1.7E2 356.0960 2.1E2 359.0691 2.0E2 367.0422 1.3E2 370.1101 1.2E2 373.1168 1.0E2 383.0641 1.4E2 397.1222 2.3E2 454.0881 1.4E2 465.1146 1.9E2 470.0928 1.2E2 483.1192 3.1E2 499.1297 1.2E2 500.1297 1.2E2 735.1522 1.2E2 749.1840 1.5E2 750.1594 1.9E2 764.2164 4.1E2 765.2174 1.5E2 END IONS BEGIN IONS FEATURE_ID=5218 PEPMASS=831.1946 SCANS=5218 RTINSECONDS=819.013 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0302 1.5E2 96.9618 2.1E2 197.0582 1.0E2 237.0443 1.7E2 262.0221 1.3E2 273.0362 4.2E2 273.1083 1.2E2 278.0558 1.2E2 346.0549 2.1E2 353.0621 1.0E2 354.0791 1.1E2 368.1070 2.5E2 369.0913 3.0E2 371.1135 1.5E2 379.0725 1.2E2 391.1000 1.1E2 397.0899 2.3E2 441.1168 1.4E2 443.1100 1.1E2 467.1587 1.2E2 482.1160 2.4E2 513.1415 1.4E2 523.1081 1.1E2 541.1342 1.3E2 585.2467 1.3E2 588.6134 1.2E2 639.1520 3.9E2 677.2051 1.2E2 720.2058 1.7E2 725.1285 1.1E2 748.1754 1.2E2 763.2112 9.3E2 764.2190 4.6E2 765.2201 3.7E2 END IONS BEGIN IONS FEATURE_ID=5220 PEPMASS=769.2539 SCANS=5220 RTINSECONDS=817.378 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 113.0245 3.4E2 131.0350 1.1E2 145.0297 1.3E2 153.0533 2.2E2 161.0221 5.0E2 162.0254 1.6E2 175.0385 9.1E2 193.0487 4.0E2 245.0749 1.0E2 259.4417 1.2E2 270.9258 2.1E2 279.0602 1.1E2 304.9226 1.2E2 339.0670 1.4E2 353.0253 1.3E2 395.0525 1.7E2 407.8338 1.4E2 413.0505 1.9E2 423.1032 1.1E2 459.0887 2.2E2 461.1692 1.2E2 462.1655 1.9E2 463.1655 1.3E2 472.0973 1.2E2 496.0833 1.3E2 511.1571 1.3E2 593.2008 5.0E2 621.1098 1.1E2 623.2027 1.7E2 638.2039 1.8E2 769.2451 1.5E2 770.2856 1.3E2 771.2619 2.0E2 996.0481 1.2E2 END IONS BEGIN IONS FEATURE_ID=5226 PEPMASS=763.2087 SCANS=5226 RTINSECONDS=819.013 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 9 (0 removed due to low quality, 8 removed due to low cosine). 101.0211 2.2E2 150.0438 1.2E2 258.0110 2.3E2 273.0336 1.8E2 295.0499 1.8E2 296.0603 1.2E2 297.0839 1.8E2 309.0710 9.3E2 310.0785 9.6E2 310.1517 1.3E2 310.5039 1.1E2 311.0733 2.0E2 314.0643 2.5E2 325.1050 1.4E2 326.1031 1.8E2 337.0690 2.1E2 338.0722 1.3E2 339.0414 3.0E2 351.9013 1.0E2 353.0618 4.0E2 354.0721 1.9E2 359.0853 2.4E2 369.0994 4.2E2 381.0485 1.6E2 397.0860 1.8E2 407.0574 1.3E2 477.1170 1.9E2 482.1099 2.6E2 483.1251 3.1E2 484.1179 1.4E2 497.1245 2.8E2 498.1049 6.1E2 499.1070 1.1E2 512.0902 1.9E2 513.1336 4.3E2 514.5968 1.4E2 542.1340 1.5E2 571.3997 1.5E2 675.1886 1.2E2 721.1918 1.3E2 733.1551 1.7E2 748.1806 3.0E2 763.1951 4.3E2 764.1998 2.3E2 764.5288 1.0E2 765.9408 1.0E2 END IONS BEGIN IONS FEATURE_ID=5238 PEPMASS=799.1850 SCANS=5238 RTINSECONDS=821.592 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 73.0303 1.9E2 143.0313 1.9E2 203.0705 2.7E2 203.1137 1.1E2 234.0617 1.2E2 273.0440 1.4E2 275.0133 1.2E2 309.0845 1.2E2 310.0766 5.0E2 324.1096 1.1E2 325.1048 1.8E2 353.0980 1.7E2 354.0734 1.1E2 355.0943 1.6E2 362.1008 1.9E2 367.0800 3.8E2 369.0963 4.6E2 370.1102 1.5E2 371.1075 1.0E2 379.1109 1.3E2 383.0634 1.0E2 396.0766 1.3E2 397.0903 1.5E2 397.8476 1.2E2 441.1248 2.1E2 482.1160 1.4E2 483.1226 2.1E2 497.1411 2.8E2 498.1273 4.3E2 499.1166 3.3E2 502.2208 1.2E2 513.1363 3.0E2 515.1476 2.4E2 720.2084 1.2E2 748.1868 5.4E2 749.1887 1.5E2 763.2091 2.0E3 763.4573 1.5E2 764.2161 8.8E2 765.2049 2.0E2 END IONS BEGIN IONS FEATURE_ID=5260 PEPMASS=187.0963 SCANS=5260 RTINSECONDS=831.69 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 9 (0 removed due to low quality, 7 removed due to low cosine). 97.0653 1.2E3 98.0686 1.1E2 123.0850 2.4E2 125.0276 1.5E2 125.0971 1.8E3 125.1359 1.2E2 126.1000 2.0E2 187.0941 1.9E2 598.5881 2.8E2 END IONS BEGIN IONS FEATURE_ID=5266 PEPMASS=799.2638 SCANS=5266 RTINSECONDS=832.197 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0120 2.9E2 81.0334 2.7E2 87.0127 2.1E2 90.0264 1.5E2 113.0264 3.9E2 133.0241 1.1E2 135.0438 1.9E2 151.0402 1.5E2 161.0256 2.7E2 175.0397 7.8E2 193.0469 1.2E3 315.1062 1.2E2 338.1171 1.2E2 461.1647 4.3E2 482.0839 1.1E2 605.2069 1.7E2 606.2098 1.6E2 623.2215 4.8E2 624.2151 7.9E2 624.2791 1.7E2 625.2189 1.3E2 637.2036 2.3E2 799.2735 4.2E2 800.2823 1.8E2 801.2586 1.4E2 801.8576 1.0E2 940.8428 1.2E2 END IONS BEGIN IONS FEATURE_ID=5286 PEPMASS=691.1854 SCANS=5286 RTINSECONDS=840.893 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0131 1.1E2 81.0314 2.4E2 90.9433 1.0E2 97.0040 1.6E2 101.0230 3.6E2 114.9331 1.7E2 124.0436 1.5E2 125.0226 1.7E2 131.0308 1.2E2 135.0461 1.7E2 161.0801 1.2E2 198.0606 1.1E2 229.0231 1.0E2 232.0611 2.7E2 243.0239 2.8E2 265.0454 1.3E2 266.0564 1.8E2 270.0434 1.2E2 285.0404 1.0E2 298.0746 1.0E2 308.0624 1.9E2 311.0449 1.4E2 315.0496 4.0E2 319.0692 1.4E2 321.0738 1.8E2 323.0803 1.6E2 339.0749 2.1E2 341.0994 4.3E2 349.0604 1.7E2 350.0674 2.4E2 351.2243 1.8E2 367.0815 1.5E2 374.0621 1.2E2 542.8383 1.0E2 577.0450 1.4E2 END IONS BEGIN IONS FEATURE_ID=5288 PEPMASS=521.1300 SCANS=5288 RTINSECONDS=841.776 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 72.9930 1.8E2 106.0698 1.1E2 109.6894 1.2E2 123.0423 3.5E2 135.0428 4.4E2 153.0567 1.3E2 161.0227 1.8E2 174.0522 1.5E2 179.0315 7.8E2 197.0432 2.7E3 197.1711 1.0E2 197.4716 1.1E2 198.0468 3.4E2 359.0918 2.2E2 360.1019 1.4E2 380.9788 1.5E2 384.1243 2.1E2 502.9829 1.5E2 END IONS BEGIN IONS FEATURE_ID=5289 PEPMASS=193.0490 SCANS=5289 RTINSECONDS=842.258 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 92.0241 2.2E2 94.0240 1.6E2 133.0284 4.6E2 134.0299 1.2E2 194.0480 1.7E2 549.0736 2.6E2 END IONS BEGIN IONS FEATURE_ID=5313 PEPMASS=521.1296 SCANS=5313 RTINSECONDS=850.302 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9936 7.9E2 73.0310 1.3E2 73.9939 2.2E2 109.0274 1.6E2 122.0346 1.9E2 123.0431 1.9E2 135.0448 5.5E2 136.0456 1.0E2 137.0545 1.2E2 161.0184 4.0E2 179.0360 8.7E2 180.0293 1.5E2 197.0443 2.3E3 198.0567 2.2E2 277.0327 1.7E2 283.0681 1.2E2 299.0529 1.1E2 322.0193 1.2E2 359.0869 1.7E2 386.0619 1.0E2 END IONS BEGIN IONS FEATURE_ID=5316 PEPMASS=585.2664 SCANS=5316 RTINSECONDS=850.302 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 203.0245 1.2E2 216.9589 1.6E2 242.0483 1.1E2 273.0774 2.1E2 307.0288 2.1E2 362.9716 1.2E2 459.0770 2.0E2 467.9004 1.5E2 481.1264 1.3E2 END IONS BEGIN IONS FEATURE_ID=5327 PEPMASS=595.2948 SCANS=5327 RTINSECONDS=852.81 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0154 5.3E2 71.0823 1.1E2 72.8481 1.3E2 73.0292 1.7E2 73.1777 1.2E2 89.0237 7.7E2 101.0241 3.6E2 113.0214 2.3E2 114.9865 1.0E2 131.0328 2.0E2 133.0266 2.6E2 140.0713 1.9E2 149.0401 1.2E2 170.0858 1.2E2 189.0136 1.1E2 191.0540 1.3E2 192.0554 2.3E2 212.0811 1.1E2 216.9810 1.1E2 219.0786 1.0E2 235.0008 1.2E2 242.0931 2.2E2 244.0348 1.7E2 268.0645 1.0E2 283.1049 1.1E2 309.0508 1.6E2 339.0967 1.4E2 374.0494 2.2E2 398.0373 1.1E2 445.1884 1.4E2 447.2623 1.4E2 END IONS BEGIN IONS FEATURE_ID=5328 PEPMASS=361.1006 SCANS=5328 RTINSECONDS=852.768 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9913 3.0E2 80.0270 1.6E2 80.6142 1.4E2 92.9293 1.7E2 93.0332 2.7E2 96.9570 3.0E2 98.9527 1.2E2 107.0510 2.2E2 117.0348 1.8E2 132.9368 1.0E2 133.0268 1.1E2 134.0339 3.8E2 135.0436 3.0E3 136.0452 7.3E2 152.1065 1.3E2 164.9322 1.2E2 175.0756 2.0E2 177.0139 1.6E2 177.0890 1.7E2 178.0675 1.2E2 179.0333 2.6E2 194.0258 1.0E2 203.6693 1.3E2 211.1359 1.7E2 233.0934 1.1E2 234.0112 2.0E2 234.8727 2.2E2 287.0884 1.0E2 295.0433 1.7E2 301.1185 1.2E2 312.0724 2.0E2 320.1868 1.2E2 350.6334 1.8E2 361.1917 2.5E2 365.1917 1.1E2 449.0440 2.1E2 476.7138 2.6E2 601.3406 1.5E2 END IONS BEGIN IONS FEATURE_ID=5335 PEPMASS=405.1582 SCANS=5335 RTINSECONDS=855.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0205 1.5E2 94.9288 3.1E2 102.0289 1.7E2 123.0485 2.7E2 126.0143 1.0E2 127.0200 1.2E3 135.0422 2.0E2 141.0438 1.4E2 142.0385 1.1E2 145.0313 1.8E2 159.0668 1.6E2 185.0648 1.2E2 203.0749 2.8E2 211.0461 3.6E2 224.0933 1.5E2 225.0597 2.2E2 286.0878 1.1E2 287.0955 1.9E2 288.0944 1.4E2 305.5045 1.0E2 659.2510 1.1E2 END IONS BEGIN IONS FEATURE_ID=5340 PEPMASS=835.2396 SCANS=5340 RTINSECONDS=855.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 125.0183 3.4E2 135.0485 1.9E2 161.0250 2.8E2 175.0391 1.0E3 178.0252 1.2E2 193.0468 7.3E2 221.0780 1.6E2 265.0621 1.9E2 357.1995 1.6E2 369.1823 1.4E2 461.1675 4.3E2 462.1597 1.4E2 469.1498 1.1E2 473.1436 1.1E2 497.0824 1.1E2 507.0193 1.6E2 531.0903 1.1E2 605.1970 2.0E2 623.2119 9.3E2 624.2284 3.5E2 625.2249 1.3E2 637.2383 1.4E2 638.2178 1.1E2 661.1575 1.5E2 799.2575 2.3E3 800.2670 1.1E3 801.2633 1.8E2 END IONS BEGIN IONS FEATURE_ID=5346 PEPMASS=347.0328 SCANS=5346 RTINSECONDS=858.547 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 80.9659 1.3E2 91.0598 2.0E2 93.0394 1.0E2 96.9648 2.2E2 130.9595 2.4E2 135.0022 1.4E2 149.0212 1.6E2 156.9448 1.8E2 165.0656 3.8E2 178.9987 1.4E2 181.0731 1.4E2 183.0802 2.9E2 204.0445 2.7E2 209.0599 2.5E2 210.0627 1.0E2 220.0480 3.0E2 221.0539 2.2E2 237.0561 1.4E2 239.0755 1.9E2 249.0472 1.6E2 250.0560 2.7E2 260.0549 1.0E2 266.0517 4.6E2 267.0163 1.4E2 267.0655 2.7E3 268.0681 5.1E2 269.5554 1.5E2 311.0537 2.5E2 350.1400 1.2E2 END IONS BEGIN IONS FEATURE_ID=5349 PEPMASS=799.2643 SCANS=5349 RTINSECONDS=857.85 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0148 2.1E2 95.0116 1.1E2 113.0226 6.6E2 114.0290 1.4E2 119.0293 1.5E2 125.0218 1.6E2 135.0489 3.0E2 149.0446 1.3E2 160.0162 1.6E2 161.0344 2.6E2 162.0282 2.5E2 175.0401 1.3E3 179.0504 3.4E2 193.0522 4.6E2 266.0644 1.0E2 297.0926 1.4E2 315.1045 2.2E2 444.1543 3.0E2 444.1993 1.4E2 461.1651 9.1E2 462.1756 2.7E2 469.1414 2.2E2 476.9984 1.1E2 572.3507 1.4E2 623.2215 9.6E2 624.2174 5.1E2 625.2367 2.3E2 637.2171 2.9E2 683.0591 1.0E2 799.2591 1.3E3 799.3986 1.1E2 800.2516 2.0E2 800.3678 1.0E2 END IONS BEGIN IONS FEATURE_ID=5350 PEPMASS=800.2673 SCANS=5350 RTINSECONDS=857.85 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 464.2721 1.0E2 472.1745 1.0E2 514.6240 1.2E2 575.1874 1.1E2 737.9026 1.1E2 800.1195 1.5E2 800.2617 4.3E3 801.2638 1.0E3 801.4480 1.5E2 802.0759 1.1E2 802.2747 5.0E2 804.2134 1.5E2 END IONS BEGIN IONS FEATURE_ID=5360 PEPMASS=635.1102 SCANS=5360 RTINSECONDS=860.364 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 141.0680 1.3E2 191.0589 2.3E2 207.0604 1.5E2 231.9851 1.6E2 246.0651 1.1E2 269.0439 4.6E3 269.2314 1.5E2 270.0452 1.3E3 270.1897 1.0E2 271.0458 3.0E2 285.0294 2.7E2 292.1224 1.9E2 297.0545 1.3E2 303.0350 1.0E2 516.1276 1.1E2 600.1838 1.2E2 639.3650 1.0E2 END IONS BEGIN IONS FEATURE_ID=5363 PEPMASS=311.0553 SCANS=5363 RTINSECONDS=860.557 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 93.0401 1.9E2 130.9612 1.2E2 160.0326 2.1E2 175.0488 1.6E2 203.0475 1.2E2 204.0608 1.3E2 211.0691 1.6E2 221.0591 1.1E2 237.0561 2.6E2 238.0713 2.8E2 239.0692 2.7E2 250.0666 2.1E2 265.0528 1.4E2 266.0631 3.2E2 267.0627 6.6E2 267.1179 2.1E2 END IONS BEGIN IONS FEATURE_ID=5364 PEPMASS=309.0405 SCANS=5364 RTINSECONDS=861.515 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 86.9749 1.5E2 109.0568 1.8E2 125.8714 2.7E2 125.8979 1.2E2 130.9634 2.0E2 141.0668 1.3E2 149.0226 2.4E2 158.0418 1.3E2 159.0403 2.4E2 160.0436 1.5E2 161.0305 1.7E2 165.0685 6.0E2 175.0490 1.8E2 181.0608 2.6E2 182.0709 1.6E2 183.0783 1.8E2 191.0475 2.4E2 192.0505 3.5E2 192.0920 1.2E2 193.0642 5.0E2 194.0674 2.1E2 196.0482 2.0E2 197.0613 5.3E2 203.0545 1.5E2 204.0540 4.6E2 205.0553 1.4E2 207.0451 2.0E2 209.0584 1.8E3 209.1902 1.4E2 210.0659 5.3E2 211.0780 6.5E2 219.0424 3.2E2 219.0868 1.7E2 220.0452 2.8E2 220.0866 1.1E2 221.0578 7.9E2 222.0638 5.1E2 222.1327 1.0E2 222.3118 1.0E2 224.0439 2.6E2 235.0352 1.6E2 236.0445 1.4E2 237.0551 3.8E2 238.0590 5.0E2 239.0653 4.4E2 240.0741 1.0E2 248.0479 5.2E2 249.0509 4.8E2 250.0649 4.7E2 265.0440 4.0E2 265.1020 1.1E2 266.0530 3.9E2 267.0660 2.4E3 268.0697 2.0E2 268.5615 1.2E2 END IONS BEGIN IONS FEATURE_ID=5382 PEPMASS=405.1571 SCANS=5382 RTINSECONDS=872.698 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 127.0159 4.5E2 173.0475 2.2E2 203.0691 5.2E2 225.0571 2.3E2 246.0774 1.2E2 287.0944 1.8E2 345.1457 1.2E2 347.0907 1.2E2 405.1572 2.4E3 405.4129 1.2E2 406.1579 6.3E2 407.1751 1.3E2 675.3474 1.1E2 END IONS BEGIN IONS FEATURE_ID=5392 PEPMASS=661.1386 SCANS=5392 RTINSECONDS=876.334 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 60.3246 1.9E2 74.3545 1.1E2 93.0385 2.0E2 123.0765 2.6E2 235.1002 2.6E2 251.0661 1.2E2 254.0949 1.5E2 259.9624 1.0E2 268.0592 1.4E2 284.0283 9.2E2 285.0399 1.4E3 286.0400 3.8E2 286.1246 1.1E2 325.0241 1.2E2 351.0660 1.5E2 381.0603 1.1E2 438.0454 1.2E2 460.2619 1.9E2 543.0348 1.3E2 593.1480 4.9E2 594.1589 1.5E2 847.8694 1.0E2 END IONS BEGIN IONS FEATURE_ID=5397 PEPMASS=593.1507 SCANS=5397 RTINSECONDS=877.74 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 78.8545 2.7E2 93.0340 1.6E2 99.0456 1.7E2 107.0042 1.3E2 151.0076 1.1E2 161.1024 1.5E2 163.0060 1.3E2 164.0130 2.2E2 165.0129 1.6E2 169.0586 1.2E2 175.0373 1.0E2 187.0310 2.2E2 222.0828 1.2E2 227.0312 3.9E2 227.0359 3.6E2 228.0377 1.1E2 229.0459 1.7E2 229.9604 1.1E2 230.0618 1.3E2 241.0522 1.2E2 255.0248 6.2E2 255.0329 1.4E2 255.1046 1.3E2 255.8468 1.3E2 256.0303 4.5E2 257.0483 2.3E2 257.0605 2.5E2 284.0322 4.0E3 284.1793 1.2E2 284.1867 1.0E2 285.0376 7.3E3 285.1359 4.4E2 285.1954 3.5E2 286.0430 1.4E3 286.1387 1.2E2 287.0436 2.8E2 327.1170 1.1E2 341.1113 1.2E2 342.1101 1.6E2 353.0363 2.4E2 358.0791 1.8E2 593.1405 1.7E2 594.1629 1.3E2 856.1888 1.2E2 856.9818 1.4E2 END IONS BEGIN IONS FEATURE_ID=5418 PEPMASS=193.0491 SCANS=5418 RTINSECONDS=884.508 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 132.0212 4.8E2 133.0305 1.0E3 134.0327 2.1E2 160.0105 2.6E2 END IONS BEGIN IONS FEATURE_ID=5420 PEPMASS=137.0236 SCANS=5420 RTINSECONDS=885.457 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 65.0410 4.7E2 93.0332 4.2E3 93.0812 3.0E2 94.0369 5.8E2 END IONS BEGIN IONS FEATURE_ID=5447 PEPMASS=193.0495 SCANS=5447 RTINSECONDS=892.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 89.0331 1.3E2 93.0353 1.2E2 105.0340 1.6E2 123.0482 1.1E2 132.0190 7.5E2 132.0253 2.9E2 133.0287 2.6E3 133.1006 1.2E2 133.1357 1.0E2 134.0306 1.7E2 757.7197 2.8E2 END IONS BEGIN IONS FEATURE_ID=5450 PEPMASS=769.2530 SCANS=5450 RTINSECONDS=892.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 71.0154 3.0E2 72.4784 1.1E2 113.0238 2.5E2 119.0306 1.7E2 132.0165 1.3E2 136.0461 1.6E2 143.0267 1.3E2 161.0236 3.3E2 175.0376 8.9E2 176.0413 1.8E2 193.0503 5.6E2 266.0648 1.8E2 286.0394 1.6E2 291.0378 1.0E2 297.0869 1.1E2 349.0649 1.2E2 461.1694 3.1E2 462.1752 1.9E2 491.1548 1.7E2 593.2011 1.0E3 594.2106 4.8E2 607.2264 1.2E2 637.2163 2.5E2 651.1067 1.1E2 769.2560 4.6E2 770.2678 2.8E2 END IONS BEGIN IONS FEATURE_ID=5457 PEPMASS=577.1522 SCANS=5457 RTINSECONDS=893.629 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 6 (0 removed due to low quality, 0 removed due to low cosine). 63.5097 1.2E2 73.0305 2.4E2 87.0522 1.2E2 89.0271 2.6E2 101.0248 1.4E2 107.0152 2.2E2 119.0515 1.2E2 123.0032 1.7E2 135.0436 1.1E2 149.0185 1.0E2 151.0019 4.4E2 162.0414 2.2E2 169.0658 1.8E2 177.0201 1.4E2 221.0813 1.2E2 240.0648 1.1E2 264.0443 1.6E2 265.0645 1.5E2 268.0358 5.5E2 269.0439 4.9E4 269.5856 1.4E2 270.0457 1.2E4 270.1050 2.2E2 270.1424 1.2E2 270.1503 1.8E2 270.1926 1.2E2 270.3986 1.1E2 270.6086 1.3E2 271.0410 1.4E2 271.0561 1.7E3 272.0416 2.9E2 283.0592 2.4E2 283.1117 1.0E2 295.0430 2.1E2 311.0555 3.7E2 321.9207 2.0E2 369.2187 1.2E2 401.9476 1.1E2 408.7867 2.7E2 408.8275 1.2E2 442.7526 1.2E2 459.1096 2.2E2 543.2283 1.0E2 577.1531 2.9E3 577.2249 2.5E2 577.2392 1.6E2 577.8345 1.5E2 578.1569 1.4E3 578.3073 1.0E2 579.1670 1.4E3 580.1526 1.2E2 END IONS BEGIN IONS FEATURE_ID=5458 PEPMASS=613.1291 SCANS=5458 RTINSECONDS=893.629 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 61.9917 1.1E2 137.0285 1.2E2 151.0085 1.0E2 168.1031 1.7E2 268.0288 1.7E2 269.0452 1.5E4 270.0457 2.8E3 270.1602 1.4E2 270.2247 1.2E2 271.0571 1.1E3 282.0474 1.2E2 295.0603 1.1E2 311.1135 1.3E2 399.1983 1.6E2 409.9570 1.1E2 525.0901 1.4E2 577.1555 3.0E3 577.7396 1.3E2 578.1461 1.3E2 578.1580 1.4E3 578.3609 1.3E2 578.5011 1.6E2 579.1689 1.0E3 579.2448 2.7E2 580.1722 1.9E2 618.5779 1.1E2 END IONS BEGIN IONS FEATURE_ID=5460 PEPMASS=635.1104 SCANS=5460 RTINSECONDS=893.629 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 87.0047 1.7E2 89.0239 1.1E2 141.9581 1.3E2 158.9695 1.0E2 163.0358 1.4E2 187.0896 2.4E2 262.0629 1.3E2 269.0421 8.8E3 269.1805 3.0E2 269.2481 1.8E2 269.4382 1.8E2 269.8273 1.1E2 270.0418 6.2E2 270.0485 1.1E3 285.0349 1.0E2 318.1877 1.2E2 326.9989 5.8E2 351.0160 2.4E2 359.0875 1.5E2 407.0264 1.6E2 577.1480 2.2E3 578.1495 5.3E2 579.1649 2.9E2 600.1422 1.3E2 635.1109 3.0E2 636.1185 1.4E2 637.0903 3.7E2 637.2492 1.4E2 637.5019 1.2E2 END IONS BEGIN IONS FEATURE_ID=5462 PEPMASS=645.1385 SCANS=5462 RTINSECONDS=893.629 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.9925 1.2E2 71.0122 1.4E2 89.0214 1.2E2 128.7314 1.2E2 141.0032 1.0E2 268.0374 1.7E2 268.7581 1.0E2 269.0435 1.1E4 269.1440 3.4E2 269.1937 2.6E2 270.0467 2.3E3 271.0535 2.9E2 282.9928 1.6E2 299.0525 1.4E2 299.0599 2.6E2 300.0436 1.7E2 337.1540 1.1E2 369.1384 1.8E2 409.0638 1.9E2 459.1200 1.2E2 599.1329 2.3E2 600.1002 1.1E2 738.9004 2.6E2 END IONS BEGIN IONS FEATURE_ID=5469 PEPMASS=691.1853 SCANS=5469 RTINSECONDS=896.415 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0164 3.0E2 96.9585 4.1E2 113.0228 2.2E2 115.0380 1.4E2 143.0298 1.4E2 144.8093 1.3E2 152.0698 1.1E2 195.0658 1.8E2 229.0111 1.4E2 242.0507 2.7E2 243.0231 3.6E2 271.0915 1.1E2 280.0750 6.9E2 282.0875 2.5E2 285.0353 1.2E2 294.0442 1.1E2 306.0520 1.9E2 308.0630 1.9E2 313.1048 1.5E2 318.0468 1.6E2 323.0915 2.1E2 325.0667 1.1E2 336.0594 2.8E2 341.0947 2.2E2 342.1170 2.4E2 349.0780 1.3E2 350.0659 1.3E2 351.0691 1.4E2 352.8180 1.4E2 367.0818 6.4E2 367.1405 1.0E2 371.8393 2.0E2 384.9652 1.1E2 397.0996 1.2E2 398.9814 1.7E2 409.9610 1.0E2 440.9911 1.0E2 467.1244 1.8E2 510.0167 1.3E2 512.1267 1.8E2 517.4136 1.5E2 594.1640 1.3E2 595.1881 1.4E2 END IONS BEGIN IONS FEATURE_ID=5470 PEPMASS=727.1628 SCANS=5470 RTINSECONDS=894.042 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 87.0069 1.7E2 89.0270 4.1E2 113.0238 1.7E2 125.0252 1.1E2 151.0722 1.2E2 173.0413 1.7E2 222.0739 1.2E2 239.7156 2.3E2 243.0270 3.8E2 243.0704 1.0E2 269.0814 1.2E2 269.1310 1.0E2 282.0873 2.2E2 284.0611 2.0E2 292.0250 1.1E2 304.0332 1.2E2 308.0679 3.4E2 323.0859 1.1E3 325.0627 1.4E2 326.0762 1.1E2 327.0802 1.2E2 338.0410 1.4E2 339.0741 2.7E2 340.0858 2.6E2 341.1005 5.1E2 349.0703 3.2E2 355.1174 1.6E2 365.0551 1.3E2 367.0821 7.8E2 367.1359 2.1E2 382.0005 1.5E2 383.1067 1.5E2 387.0707 2.3E2 409.0955 1.0E2 483.1075 2.3E2 490.2332 1.1E2 END IONS BEGIN IONS FEATURE_ID=5471 PEPMASS=651.1103 SCANS=5471 RTINSECONDS=896.415 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 118.0479 1.2E2 122.9812 1.2E2 137.0172 1.3E2 181.0482 1.9E2 183.0380 2.0E2 190.0163 1.1E2 221.0800 1.2E2 255.0354 2.7E2 256.0442 1.3E2 284.0339 2.0E3 285.0375 2.4E3 286.0397 8.3E2 287.0438 1.2E2 289.0140 2.2E2 307.0070 1.2E2 311.0491 1.4E2 326.9969 1.6E2 341.0928 1.5E2 349.0635 1.8E2 354.0219 1.2E2 356.0748 2.4E2 365.1750 1.3E2 381.9493 1.0E2 384.1068 1.1E2 402.1183 1.9E2 433.1357 1.3E2 435.1090 1.0E2 452.9106 1.0E2 455.0239 1.0E2 489.0891 2.0E2 489.1580 1.5E2 593.1472 7.0E2 594.1464 3.2E2 END IONS BEGIN IONS FEATURE_ID=5473 PEPMASS=733.1962 SCANS=5473 RTINSECONDS=896.415 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.1290 1.3E2 99.0225 1.0E2 102.0255 1.4E2 119.0415 1.8E2 224.0831 1.1E2 242.9879 1.6E2 243.0219 1.2E2 247.0538 3.5E2 270.1262 1.2E2 273.0294 1.6E2 280.0667 1.1E2 282.0814 1.5E2 285.0655 1.6E2 292.9442 1.1E2 294.0839 2.1E2 295.0897 1.9E2 309.0584 1.4E2 311.0544 2.3E2 319.0237 3.0E2 323.0479 2.1E2 324.0628 2.1E2 326.0623 1.5E2 328.0903 1.1E2 334.0481 1.7E2 339.0932 1.8E2 341.0983 1.2E2 349.0687 1.1E2 352.0635 2.1E2 363.1306 1.2E2 380.0606 1.5E2 395.1153 1.5E2 397.0928 1.9E2 411.1149 1.3E2 447.1179 1.1E2 468.1054 2.4E2 468.1732 1.2E2 718.1599 3.2E2 733.1731 2.1E2 734.1747 2.4E2 END IONS BEGIN IONS FEATURE_ID=5494 PEPMASS=661.1354 SCANS=5494 RTINSECONDS=899.735 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 229.0525 1.7E2 285.0367 3.3E2 286.0340 2.9E2 313.0351 1.9E2 337.0342 1.1E2 501.1129 1.3E2 593.1552 1.7E3 593.9482 1.5E2 594.1474 6.0E2 595.1522 4.2E2 615.1171 1.3E2 616.1489 1.3E2 625.8127 1.0E2 661.1729 2.2E2 663.2973 1.2E2 665.1699 3.9E2 666.1727 1.1E2 714.4861 1.6E2 END IONS BEGIN IONS FEATURE_ID=5495 PEPMASS=593.1491 SCANS=5495 RTINSECONDS=900.463 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 18 (0 removed due to low quality, 12 removed due to low cosine). 71.0150 2.7E2 89.0297 1.5E2 94.0381 1.4E2 96.0068 2.1E2 101.0263 2.2E2 102.5043 1.2E2 106.0029 1.5E2 121.0096 1.6E2 122.8348 1.3E2 130.0325 1.1E2 131.0302 1.5E2 132.0319 1.1E2 150.9997 2.5E2 172.0487 2.6E2 173.0209 1.2E2 174.9951 1.4E2 184.0402 1.1E2 185.0504 1.1E2 187.0419 2.2E2 189.0526 2.9E2 191.0059 1.3E2 196.0458 1.7E2 207.0289 2.2E2 208.9995 1.9E2 212.0444 1.0E2 215.0555 1.3E2 217.0346 1.8E2 227.0311 1.0E3 227.0385 2.7E2 228.0316 1.4E2 229.0437 1.5E2 229.0508 4.8E2 241.0430 1.3E2 241.0480 2.2E2 243.0265 1.1E2 255.0294 3.7E3 255.0987 1.7E2 256.0338 1.6E3 256.0946 1.5E2 257.0365 2.2E2 257.0439 3.9E2 257.0689 1.1E2 258.0335 1.6E2 258.0479 1.2E2 267.0651 1.1E2 284.0328 1.5E4 284.1146 1.1E2 284.1837 1.3E2 284.6809 1.1E2 284.9818 2.2E2 285.0396 2.2E4 285.1655 1.5E2 285.1883 4.1E2 285.1992 1.1E2 285.2231 1.1E2 285.2834 1.1E2 285.3481 1.4E2 286.0429 3.8E3 286.0495 6.8E2 286.0892 3.2E2 286.1282 1.3E2 287.0418 2.5E2 288.0421 1.2E2 299.0337 2.6E2 311.0905 1.5E2 318.9106 1.2E2 327.0441 2.2E2 327.0530 2.7E2 357.0565 1.1E2 377.0118 1.6E2 407.9456 1.1E2 447.0867 1.5E2 588.1300 1.1E2 593.1342 1.6E2 593.1487 1.2E4 594.1504 5.3E3 594.3471 1.5E2 595.1641 1.1E3 596.1554 3.3E2 596.2260 1.2E2 END IONS BEGIN IONS FEATURE_ID=5502 PEPMASS=453.2242 SCANS=5502 RTINSECONDS=904.507 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0272 1.4E2 180.9262 1.2E2 197.1101 1.3E2 305.0065 2.3E2 END IONS BEGIN IONS FEATURE_ID=5513 PEPMASS=463.2530 SCANS=5513 RTINSECONDS=904.507 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 85.0284 3.9E2 133.6804 1.4E2 264.0435 1.1E2 END IONS BEGIN IONS FEATURE_ID=5514 PEPMASS=651.1132 SCANS=5514 RTINSECONDS=904.507 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 150.9986 1.4E2 195.0675 1.6E2 211.0445 1.1E2 227.0211 1.0E2 255.0223 2.7E2 256.0348 3.4E2 267.0428 1.1E2 284.0322 1.8E3 284.4550 1.1E2 285.0394 2.7E3 285.1595 1.7E2 285.2291 1.4E2 285.8306 1.1E2 285.8719 1.2E2 286.0455 5.0E2 300.0246 5.2E2 301.0282 1.4E2 313.0161 1.0E2 327.0525 1.2E2 343.0059 1.0E2 343.0899 1.1E2 358.9537 1.1E2 447.0768 1.2E2 531.8952 1.4E2 593.1443 1.0E3 594.1626 1.7E2 595.1604 2.9E2 840.4663 1.6E2 END IONS BEGIN IONS FEATURE_ID=5535 PEPMASS=309.0397 SCANS=5535 RTINSECONDS=913.657 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 130.9672 1.0E2 151.0488 2.6E2 155.0404 1.5E2 155.0833 1.0E2 158.0372 1.2E2 159.0437 2.2E2 160.0541 1.0E2 165.0698 6.7E2 166.0739 1.1E2 168.0529 3.2E2 175.0534 1.1E2 180.0528 3.1E2 181.0682 4.2E2 183.0802 2.2E2 191.0473 3.0E2 192.0487 4.3E2 193.0628 6.1E2 194.0699 2.4E2 195.0538 1.4E2 196.0538 5.7E2 197.0585 6.8E2 198.0697 1.1E2 203.0446 3.2E2 204.0552 1.1E2 204.5993 1.0E2 205.0594 1.1E2 207.0466 1.6E2 209.0582 1.8E3 210.0629 7.1E2 211.0706 4.1E2 219.0414 2.6E2 220.0478 6.2E2 220.0898 1.5E2 221.0595 3.7E2 222.0671 3.2E2 223.0382 1.6E2 223.0677 1.0E2 224.0446 1.6E2 237.0537 1.1E3 238.0624 1.2E3 239.0705 6.0E2 247.0375 1.4E2 248.0445 3.3E2 249.0549 4.2E2 250.0592 1.6E2 265.0471 1.3E3 266.0589 4.6E2 267.0661 2.7E3 267.2106 1.1E2 268.0665 6.6E2 281.0479 1.6E2 311.0585 1.4E2 END IONS BEGIN IONS FEATURE_ID=5539 PEPMASS=311.0553 SCANS=5539 RTINSECONDS=914.163 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 86.9786 1.3E2 113.0469 1.6E2 158.0367 1.6E2 159.0390 3.0E2 165.0705 2.4E2 167.0858 1.1E2 180.0542 1.9E2 193.0691 5.9E2 194.0689 2.7E2 195.0765 2.0E2 197.0559 3.2E2 204.0612 1.2E2 209.0584 2.7E2 211.0768 3.0E2 221.0546 2.7E2 222.0690 6.2E2 237.0536 3.0E2 239.0688 1.3E2 240.0691 2.0E2 248.0537 1.3E2 265.0489 1.6E2 266.0525 1.4E2 267.0666 5.6E2 268.0696 2.7E2 END IONS BEGIN IONS FEATURE_ID=5541 PEPMASS=629.2391 SCANS=5541 RTINSECONDS=915.068 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0198 2.0E2 258.1313 1.4E2 259.1320 3.2E2 260.1380 3.6E2 285.0315 1.4E2 305.9840 1.7E2 421.1811 8.0E2 422.1870 1.9E2 451.2259 1.0E2 539.1598 1.6E2 586.0119 1.6E2 595.2755 2.0E2 597.1117 1.1E2 629.2302 1.4E2 630.2761 1.9E2 631.2647 2.8E2 END IONS BEGIN IONS FEATURE_ID=5543 PEPMASS=347.0322 SCANS=5543 RTINSECONDS=915.899 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 93.0703 1.2E2 96.9600 1.1E2 127.0746 2.6E2 159.0399 1.4E2 183.0749 2.6E2 193.0698 1.0E2 196.0476 2.7E2 209.0626 1.1E2 211.0769 1.0E2 221.0608 4.2E2 237.0651 1.3E2 238.0697 1.0E2 239.0699 1.6E2 249.0469 2.5E2 264.0490 2.1E2 265.0485 2.3E2 267.0640 5.1E3 267.2086 1.8E2 268.0681 7.4E2 269.0743 1.5E2 286.3543 1.2E2 311.0524 4.6E2 596.0636 1.3E2 725.3533 2.2E2 END IONS BEGIN IONS FEATURE_ID=5550 PEPMASS=243.1216 SCANS=5550 RTINSECONDS=917.584 CHARGE=1- MSLEVEL=2 67.0556 1.5E2 118.0649 2.2E2 130.9648 1.9E2 181.1159 1.3E2 183.1015 3.0E2 207.1057 1.0E2 215.1361 1.0E2 225.1125 2.0E2 980.1226 1.0E2 END IONS BEGIN IONS FEATURE_ID=5577 PEPMASS=243.1227 SCANS=5577 RTINSECONDS=924.154 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (6 removed due to low quality, 0 removed due to low cosine). 121.0699 1.3E2 126.0967 2.0E2 150.0291 2.1E2 154.9581 1.9E2 182.1285 1.9E2 201.1169 1.5E2 207.1028 5.7E2 208.1000 1.1E2 225.1181 1.7E2 226.1113 1.7E2 END IONS BEGIN IONS FEATURE_ID=5586 PEPMASS=193.0492 SCANS=5586 RTINSECONDS=925.343 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 14 (0 removed due to low quality, 10 removed due to low cosine). 65.0114 1.2E2 65.0379 1.1E2 65.0441 2.2E2 78.0415 1.2E2 89.0036 1.5E2 89.0509 1.7E2 93.0340 6.1E2 105.0314 6.8E2 115.0194 1.6E2 132.0191 1.9E3 133.0270 5.6E3 133.1340 1.1E2 134.0312 1.5E3 134.1630 1.0E2 162.0243 2.6E2 776.4737 1.1E2 903.8064 2.2E2 END IONS BEGIN IONS FEATURE_ID=5598 PEPMASS=137.0237 SCANS=5598 RTINSECONDS=931.297 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 16 (0 removed due to low quality, 12 removed due to low cosine). 65.0396 2.5E3 65.0627 1.4E2 66.0441 1.7E2 67.0183 2.9E2 93.0339 2.2E3 93.0610 1.1E2 94.0340 3.6E2 171.1459 1.5E2 261.1443 1.0E2 633.4280 1.2E2 END IONS BEGIN IONS FEATURE_ID=5618 PEPMASS=639.1553 SCANS=5618 RTINSECONDS=942.467 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 87.0099 2.7E2 89.0263 1.3E2 99.0076 2.3E2 101.0241 1.1E2 110.0237 1.7E2 131.0284 1.3E2 133.0270 1.2E2 161.0646 1.4E2 176.0397 1.2E2 179.0246 2.2E2 218.0519 1.1E2 299.0267 1.3E2 300.0232 1.4E3 300.1012 2.0E2 301.0367 2.1E2 313.0340 2.7E2 314.0418 2.6E2 315.0501 3.7E3 315.1595 2.4E2 315.2704 1.2E2 315.7391 1.2E2 316.0485 4.0E2 390.0725 1.2E2 423.0124 1.6E2 449.2748 1.9E2 450.9773 1.2E2 520.7503 1.0E2 606.3500 1.0E2 624.3153 1.5E2 641.3471 2.3E2 642.3312 1.4E2 END IONS BEGIN IONS FEATURE_ID=5622 PEPMASS=675.1392 SCANS=5622 RTINSECONDS=945.158 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 87.0559 1.4E2 95.0125 1.7E2 113.0186 3.3E2 134.0345 1.3E2 135.0399 1.7E2 153.0584 1.1E2 162.0341 1.2E2 165.0549 1.0E2 193.0523 1.7E2 287.0749 1.4E2 300.0269 5.6E2 301.0246 4.4E2 301.0874 1.5E2 313.0220 1.4E2 314.0610 1.2E2 315.0476 4.7E3 315.2065 1.8E2 315.2676 1.2E2 315.5969 1.4E2 316.0558 6.9E2 317.0407 1.4E2 317.5012 1.2E2 337.0559 1.0E2 344.0010 2.0E2 359.1174 1.3E2 459.0836 2.8E2 466.1643 1.7E2 507.0321 2.6E2 519.1061 1.2E2 629.1412 1.8E2 630.0916 1.3E2 639.1477 2.0E2 END IONS BEGIN IONS FEATURE_ID=5633 PEPMASS=343.2115 SCANS=5633 RTINSECONDS=950.435 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 81.0354 1.4E2 83.0489 1.4E2 85.0625 3.6E2 110.0348 1.3E2 112.0439 1.5E2 123.0766 2.6E2 135.0497 1.4E2 150.0255 1.3E2 171.0985 2.2E2 198.0280 1.7E2 209.7158 1.1E2 249.0515 1.5E2 267.0614 1.2E2 286.9820 1.9E2 311.0542 1.1E2 END IONS BEGIN IONS FEATURE_ID=5649 PEPMASS=673.1837 SCANS=5649 RTINSECONDS=953.134 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 175.0390 7.2E2 185.0202 1.5E2 230.0182 1.1E2 286.0427 1.1E2 315.0739 1.1E2 315.9458 1.1E2 370.5838 1.3E2 395.0716 1.2E2 431.1027 1.7E2 461.1566 3.8E2 462.1607 1.3E2 465.1518 1.2E2 475.0902 1.0E2 476.1103 1.2E2 521.0852 1.2E2 637.2083 3.4E3 637.4551 1.1E2 637.5473 1.1E2 638.0448 1.6E2 638.2116 1.7E3 638.3347 1.8E2 638.9454 1.0E2 639.1775 7.7E2 639.9985 1.2E2 640.1550 1.7E2 640.3196 1.3E2 640.4475 1.0E2 643.4984 1.4E2 677.1338 1.0E2 END IONS BEGIN IONS FEATURE_ID=5671 PEPMASS=243.1219 SCANS=5671 RTINSECONDS=957.499 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (6 removed due to low quality, 0 removed due to low cosine). 73.0428 1.0E2 130.9676 3.4E2 164.1120 2.0E2 181.1215 2.0E2 182.1226 2.4E2 201.1120 2.2E2 207.1051 3.4E2 225.1200 1.5E2 226.1223 1.3E2 461.3594 1.2E2 997.4464 1.5E2 END IONS BEGIN IONS FEATURE_ID=5680 PEPMASS=583.2466 SCANS=5680 RTINSECONDS=960.129 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0228 1.8E2 181.0389 1.3E2 199.5822 1.8E2 393.0863 1.7E2 508.5489 2.6E2 547.2687 8.3E2 583.2473 5.8E2 584.2568 2.1E2 585.2457 2.4E2 586.2754 2.0E2 593.3954 1.4E2 863.9742 1.1E2 END IONS BEGIN IONS FEATURE_ID=5715 PEPMASS=337.0344 SCANS=5715 RTINSECONDS=967.259 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9573 1.6E2 96.9616 2.3E2 109.0261 1.0E2 151.0498 1.2E2 174.0310 1.0E2 181.0745 1.8E2 183.0379 1.3E2 206.9752 1.0E2 207.0459 1.9E2 208.0531 3.8E2 210.0713 1.7E2 211.0389 1.2E2 219.0373 3.5E2 220.0572 1.9E2 221.0666 1.1E2 235.0313 1.9E2 237.0422 1.4E2 247.0415 2.8E2 248.0477 2.4E2 249.0626 1.1E2 263.0497 2.8E2 264.0396 6.3E2 265.0495 5.8E2 266.0445 1.5E2 276.0359 1.6E2 END IONS BEGIN IONS FEATURE_ID=5742 PEPMASS=358.0683 SCANS=5742 RTINSECONDS=972.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 72.9947 4.2E2 73.0149 1.4E2 74.0240 1.9E2 109.0354 1.3E2 134.0378 2.2E2 135.0435 1.3E3 135.1727 1.4E2 161.0236 2.8E2 171.0978 1.1E2 179.0308 2.8E2 181.0396 1.5E2 181.1160 1.6E2 185.5556 1.4E2 197.0398 4.2E2 229.0106 4.4E2 229.1384 1.2E2 243.0263 2.9E2 267.1042 1.8E2 269.0788 1.2E2 270.0801 1.0E2 295.0548 4.9E2 295.0969 1.8E2 296.0523 1.3E2 296.1214 1.2E2 297.0699 1.2E2 321.0696 1.9E2 327.0485 1.1E2 339.0483 4.1E2 344.1060 2.0E2 345.1082 1.0E2 345.9820 1.0E2 346.1335 1.1E2 359.2073 1.8E2 360.1879 1.1E2 361.1662 1.3E2 365.0605 1.3E2 END IONS BEGIN IONS FEATURE_ID=5747 PEPMASS=417.0819 SCANS=5747 RTINSECONDS=972.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 72.9940 1.8E3 73.9982 3.6E2 77.2131 2.0E2 101.0412 1.2E2 109.0285 1.3E2 119.0517 1.3E2 123.0416 5.4E2 123.0502 1.5E2 124.0465 2.3E2 129.0342 1.2E3 130.0310 1.8E2 131.0588 1.6E2 135.0440 2.6E3 135.0859 2.1E2 135.1471 1.0E2 136.0466 1.9E2 146.0360 2.1E2 148.0456 2.2E2 149.0593 4.7E2 149.0874 1.2E2 157.0266 1.4E3 157.6523 1.2E2 158.0316 1.4E2 174.0286 1.7E2 174.0341 2.3E2 175.0395 1.6E3 176.0396 3.7E2 176.0471 1.6E2 179.0304 4.1E2 179.0370 1.9E2 186.9852 1.2E2 193.0570 1.1E2 197.0437 1.7E2 204.0331 2.4E2 327.0920 1.4E2 894.4888 1.1E2 END IONS BEGIN IONS FEATURE_ID=5759 PEPMASS=713.1135 SCANS=5759 RTINSECONDS=974.46 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9902 1.5E2 95.0494 2.2E2 99.0070 1.4E2 109.0280 1.9E3 109.0860 1.5E2 133.0307 3.1E2 134.0325 1.1E2 135.0430 1.4E3 136.0480 1.0E2 151.0397 1.6E2 157.0238 1.6E2 158.0282 1.4E2 159.0452 2.9E2 161.0204 1.2E2 162.8320 1.3E2 177.0396 2.5E2 178.0212 1.0E2 179.0356 5.4E2 185.0255 1.0E2 187.0327 5.5E2 197.0421 2.5E3 197.1702 1.4E2 199.0300 1.2E2 203.0339 3.0E2 215.0340 3.0E2 221.0450 2.1E2 225.0533 1.2E2 228.0037 1.3E2 229.0116 4.0E3 229.0970 2.5E2 229.1532 1.7E2 236.0397 1.2E2 239.0333 2.5E2 241.0501 4.4E2 241.1489 1.3E2 242.0271 4.9E2 243.0261 5.5E3 243.1618 2.3E2 243.2149 1.3E2 244.0296 1.5E2 244.5342 1.1E2 248.0341 1.0E2 249.0557 1.6E2 250.0644 1.1E2 253.0516 2.2E2 255.0176 1.6E2 263.0367 1.2E2 264.0385 3.7E2 265.0484 8.8E2 266.0530 7.1E2 267.0644 1.5E3 267.1442 1.3E2 268.0585 2.1E2 269.0778 8.5E2 270.0828 2.1E2 277.0515 4.6E2 280.0358 2.9E2 281.0396 1.1E2 291.0212 1.1E2 292.0438 1.1E2 293.0474 1.4E3 295.0596 2.0E3 307.0160 1.1E2 308.0682 1.6E2 309.0751 1.1E3 310.0666 1.4E2 311.0508 1.8E3 311.1428 1.3E2 311.2007 1.2E2 312.0667 1.6E2 313.0719 3.2E2 315.0505 1.8E2 319.0237 3.2E2 319.2935 1.1E2 321.0666 1.5E3 321.1879 1.1E2 322.0404 1.6E2 323.0539 1.4E2 325.0764 1.4E2 334.6611 1.3E2 335.0524 5.5E2 336.0560 1.3E2 337.0350 1.7E4 338.0337 3.8E3 338.1963 1.4E2 338.5046 1.2E2 338.7775 1.5E2 339.0481 9.5E3 339.7433 1.4E2 340.9778 1.2E2 341.2446 1.2E2 342.0585 1.1E2 350.0389 1.9E2 351.0429 2.3E2 351.1022 1.0E2 352.0689 1.3E2 352.9937 1.0E2 353.0636 2.6E3 353.2293 1.4E2 353.3759 1.0E2 355.0433 4.5E2 356.0434 1.1E2 357.0581 2.6E2 357.1077 1.2E2 365.0627 6.8E3 365.6506 1.2E2 365.9554 1.0E2 366.0716 4.6E2 413.1014 2.8E2 417.0885 1.0E2 431.1084 1.7E2 451.0691 1.0E2 457.0799 1.3E2 475.0981 2.6E3 475.2955 1.2E2 491.0903 3.1E2 584.0153 1.7E2 601.9115 1.4E2 611.1250 1.4E2 966.6287 1.6E2 982.5776 1.2E2 END IONS BEGIN IONS FEATURE_ID=5781 PEPMASS=343.2106 SCANS=5781 RTINSECONDS=977.123 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 80.0242 1.2E2 85.0675 1.2E2 86.0241 1.0E2 95.0492 3.5E2 101.0604 1.2E2 114.1191 1.2E2 115.0739 2.1E2 127.1171 1.4E2 134.0634 1.4E2 153.0902 1.1E2 166.0222 1.8E2 171.1072 5.7E2 172.1098 1.1E2 180.0404 1.0E2 209.1139 4.7E2 209.1587 1.8E2 210.1227 1.9E2 211.1437 1.2E2 212.0346 1.3E2 229.1421 2.6E2 343.2109 9.7E2 344.1050 2.0E2 345.0926 1.6E2 END IONS BEGIN IONS FEATURE_ID=5783 PEPMASS=358.0691 SCANS=5783 RTINSECONDS=976.838 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9905 2.4E2 103.0532 1.3E2 121.0224 2.6E2 123.0429 1.4E2 124.0430 1.5E2 134.0372 3.4E2 135.0443 1.5E3 145.0221 1.5E2 157.0359 1.3E2 158.0363 1.0E2 159.0493 1.1E2 175.0512 1.3E2 178.0552 1.8E2 185.0195 2.0E2 189.0465 2.8E2 208.0844 2.1E2 213.0519 2.0E2 229.0094 1.6E2 267.0674 1.1E2 313.0696 3.2E2 339.1736 1.1E2 581.5987 1.1E2 722.0858 1.1E2 END IONS BEGIN IONS FEATURE_ID=5804 PEPMASS=613.1278 SCANS=5804 RTINSECONDS=977.304 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0204 1.8E2 150.0331 1.3E2 197.0620 1.8E2 268.0365 5.9E2 268.0874 1.7E2 269.0449 7.4E3 270.0442 2.6E3 270.1572 1.1E2 270.1985 1.5E2 270.7378 1.1E2 271.0421 1.8E2 577.1573 1.4E3 577.3708 1.0E2 578.1555 5.5E2 579.1464 1.3E2 END IONS BEGIN IONS FEATURE_ID=5819 PEPMASS=577.1520 SCANS=5819 RTINSECONDS=979.788 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 63.0254 3.2E2 107.0133 1.5E2 118.9953 1.8E2 161.0230 2.0E2 253.0561 1.2E2 268.0339 2.2E3 269.0421 1.4E4 269.5087 1.1E2 269.6023 1.3E2 270.0433 1.2E3 270.0494 1.3E3 270.1111 1.2E2 270.1184 1.1E2 271.0447 5.1E2 323.7681 1.1E2 368.9978 1.1E2 577.1531 4.2E3 578.1382 2.9E2 578.1539 1.9E3 578.4528 1.4E2 579.1654 3.2E2 579.4897 1.7E2 778.0372 2.3E2 806.3852 1.4E2 END IONS BEGIN IONS FEATURE_ID=5833 PEPMASS=717.1421 SCANS=5833 RTINSECONDS=982.205 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9937 2.5E2 109.0298 7.5E2 135.0475 2.8E2 146.0363 1.4E2 161.0190 1.6E2 179.0324 7.1E2 180.0332 1.1E2 187.0374 4.7E2 197.0453 6.4E2 229.0095 1.1E3 230.0085 3.8E2 243.0294 1.3E3 243.1142 1.0E2 244.0271 7.9E2 253.0481 3.2E2 262.0425 1.1E2 267.0787 1.9E2 269.0833 3.9E2 277.0472 2.6E2 292.0419 1.1E2 295.0588 4.9E2 309.0798 2.5E2 311.0491 2.1E2 313.0720 3.3E2 321.0656 2.7E2 322.0489 1.1E2 335.0533 1.3E2 336.0520 1.4E2 337.0252 2.0E2 339.0515 3.0E3 340.0517 7.1E2 340.1121 1.5E2 341.1556 1.3E2 353.0653 6.7E2 365.0657 1.3E3 365.2475 1.8E2 366.0672 1.1E3 366.2462 1.1E2 367.0753 2.6E2 475.1027 6.1E2 476.0960 1.7E2 476.6576 1.2E2 643.0721 1.9E2 END IONS BEGIN IONS FEATURE_ID=5857 PEPMASS=607.1609 SCANS=5857 RTINSECONDS=984.708 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 112.0439 1.0E2 143.0272 1.1E2 151.0010 4.1E2 254.0520 1.1E2 257.1967 1.1E2 283.0050 3.7E2 283.0476 1.1E2 284.0305 1.5E4 284.1204 3.8E2 284.1322 1.5E2 284.1848 6.0E2 285.0362 2.7E3 285.0784 1.3E2 285.2063 1.8E2 286.0299 1.7E2 297.0282 1.8E2 299.0537 3.5E4 299.1965 2.0E2 299.2083 8.5E2 299.8146 1.2E2 300.0569 8.1E3 300.1028 2.5E2 300.1216 1.0E2 300.1972 1.4E2 300.4851 1.2E2 301.0516 3.4E2 301.0606 1.0E3 301.7797 1.0E2 302.0600 1.5E2 326.0347 1.4E2 337.0130 1.2E2 487.1077 1.2E2 493.0559 1.6E2 607.1628 4.5E3 607.3135 1.9E2 608.0415 1.1E2 608.1620 1.4E3 609.1558 1.2E2 609.1683 2.7E2 613.8065 1.0E2 END IONS BEGIN IONS FEATURE_ID=5874 PEPMASS=675.1481 SCANS=5874 RTINSECONDS=987.113 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 61.9911 1.2E2 96.9191 2.9E2 96.9579 5.6E2 96.9622 2.6E2 110.0272 1.7E2 136.0764 1.6E2 137.0544 1.1E2 149.0228 1.0E2 165.0550 1.2E2 178.0743 1.4E2 197.4576 1.0E2 213.0049 1.4E2 260.9607 2.4E2 260.9726 1.1E2 267.0253 2.0E2 269.0419 3.1E2 284.0278 2.2E3 284.0337 1.0E3 284.0799 3.1E2 285.0303 2.1E2 285.0364 3.7E2 286.0382 1.3E2 296.0745 1.1E2 299.0533 1.8E4 299.1286 2.0E2 299.1460 2.3E2 299.2110 6.8E2 299.2551 1.1E2 299.2644 1.2E2 299.2983 1.2E2 299.4971 1.2E2 300.0525 1.5E3 300.0585 1.5E3 300.0699 3.7E2 300.1026 1.9E2 301.0613 5.3E2 309.1205 1.6E2 314.1213 2.2E2 319.4920 1.3E2 323.4604 1.4E2 350.2986 1.3E2 368.9348 1.1E2 381.0512 1.6E2 403.9351 1.5E2 413.0890 1.0E2 415.0648 1.2E2 417.0465 1.2E2 452.0415 1.1E2 467.0800 1.0E2 515.1690 1.1E2 545.9832 1.3E2 561.9638 1.1E2 577.1616 1.7E2 593.1361 1.3E2 596.1979 2.0E2 607.1622 3.8E3 607.2833 1.3E2 607.3684 1.0E2 607.3964 1.0E2 607.4840 1.1E2 608.1640 1.6E3 608.2348 1.6E2 608.3060 1.2E2 608.3773 1.1E2 609.1287 2.1E2 609.1691 4.2E2 629.1306 5.8E2 631.1211 1.5E2 633.0656 1.5E2 675.1513 2.3E2 677.0749 1.1E2 678.0381 1.1E2 678.1678 1.8E2 END IONS BEGIN IONS FEATURE_ID=5904 PEPMASS=447.0917 SCANS=5904 RTINSECONDS=990.247 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 10 (4 removed due to low quality, 4 removed due to low cosine). 93.0341 1.2E2 105.0315 1.3E2 150.9982 2.7E2 159.0397 1.3E2 165.0161 1.3E2 171.0415 1.2E2 185.0549 2.9E2 187.0545 1.0E2 220.5876 2.4E2 227.0317 5.5E3 227.1735 1.5E2 227.4023 1.2E2 227.8085 1.1E2 228.0313 4.4E2 228.0469 2.5E2 229.0464 4.9E2 255.0270 7.1E3 255.1061 2.9E2 255.2091 2.2E2 256.0316 2.0E3 256.1814 1.0E2 257.0221 1.2E2 257.0369 3.3E2 284.0285 3.9E3 284.1114 2.1E2 284.1626 1.9E2 284.2239 1.4E2 284.9721 1.2E2 285.0288 7.9E2 285.0347 1.1E3 285.1044 2.0E2 286.0338 8.0E2 286.0807 1.2E2 624.0688 1.0E2 END IONS BEGIN IONS FEATURE_ID=5959 PEPMASS=509.2930 SCANS=5959 RTINSECONDS=998.738 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0131 1.0E2 85.0342 1.2E2 89.0251 3.4E2 94.0689 2.5E2 101.0217 1.6E2 139.1116 1.6E2 235.0745 1.4E2 261.1563 1.3E2 309.0534 1.4E2 328.4004 1.1E2 329.2356 3.5E2 347.2543 4.5E2 348.2550 2.0E2 509.2929 3.4E2 END IONS BEGIN IONS FEATURE_ID=5994 PEPMASS=895.1698 SCANS=5994 RTINSECONDS=1005.979 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 163.0384 1.1E2 167.0255 2.6E2 176.9252 1.8E2 185.0180 1.5E2 191.0346 1.2E2 197.0498 1.3E2 198.0700 1.2E2 203.0349 2.4E2 229.0058 1.1E2 259.1064 1.2E2 269.0865 2.3E2 283.0572 2.6E2 284.0585 1.6E2 289.0520 1.4E2 295.0630 5.5E2 295.1045 1.4E2 310.0477 1.1E2 313.0694 3.7E2 313.0806 3.5E2 313.4902 1.1E2 314.0680 2.1E2 314.0777 2.3E2 315.0790 1.6E2 321.0411 1.2E2 333.0802 1.2E2 336.0990 1.2E2 339.0472 1.9E3 340.0501 1.3E2 340.0602 3.7E2 341.0602 1.2E2 343.1187 1.6E2 353.0295 1.2E2 357.0592 7.8E3 357.2364 2.4E2 357.2815 1.4E2 358.0672 1.9E3 359.0662 5.5E2 365.0687 2.4E2 433.1139 1.1E2 463.0465 2.3E2 515.3813 1.5E2 519.0947 1.4E2 524.0556 1.3E2 529.5397 1.0E2 555.1257 7.9E2 555.2521 1.3E2 556.1016 2.4E2 557.1311 2.1E2 562.9800 1.1E2 635.1334 2.2E2 678.1194 1.1E2 698.1481 1.2E2 705.1425 1.5E2 875.0635 1.6E2 895.1870 3.8E2 896.1851 1.8E2 897.0653 1.1E2 897.1759 3.3E2 897.3288 1.8E2 898.1313 1.4E2 900.3450 1.0E2 END IONS BEGIN IONS FEATURE_ID=6016 PEPMASS=431.0969 SCANS=6016 RTINSECONDS=1008.552 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 18 (0 removed due to low quality, 15 removed due to low cosine). 65.0023 1.3E2 85.0293 3.2E2 94.0287 1.5E2 98.0279 2.2E2 107.0134 2.7E2 107.9169 1.4E2 117.0341 1.6E2 119.0468 1.1E2 121.9950 1.5E2 135.0408 1.3E2 135.0487 3.7E2 138.9985 1.2E2 139.0343 1.2E2 146.0178 2.0E2 148.0118 1.9E2 149.0225 2.2E2 171.0491 1.7E2 181.0621 1.2E2 184.0540 1.1E2 193.0433 1.6E2 207.0692 1.1E2 211.0366 1.5E2 212.0403 2.7E2 213.0430 1.4E2 224.0442 1.1E2 229.0035 1.9E2 238.0461 1.1E2 239.0331 6.7E2 239.0743 1.2E2 240.0336 5.3E2 240.0533 2.2E2 253.0405 1.0E2 255.1149 1.4E2 268.0345 1.3E4 268.1250 2.8E2 268.1791 2.0E2 268.5067 1.2E2 269.0413 5.3E3 269.1235 1.7E2 269.1755 1.1E2 269.9725 1.2E2 270.0369 6.9E2 283.0593 1.1E2 311.1000 1.3E2 339.1090 1.7E2 431.0951 3.0E2 432.0876 1.3E2 END IONS BEGIN IONS FEATURE_ID=6022 PEPMASS=537.1021 SCANS=6022 RTINSECONDS=1008.943 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 109.0288 7.0E2 123.0516 1.8E2 135.0445 4.9E2 159.0434 3.9E2 185.0099 3.5E2 205.0401 1.1E2 229.0103 1.9E2 231.0218 1.2E2 240.0598 1.2E2 253.0508 2.5E2 267.0622 3.2E2 268.0644 1.0E2 269.0813 2.5E2 270.0934 2.2E2 277.0508 3.0E2 278.0436 1.2E2 279.0250 4.7E2 280.0328 2.1E2 281.0436 2.2E2 294.0504 1.2E2 295.0594 8.3E2 296.0590 3.1E2 339.0407 3.3E2 END IONS BEGIN IONS FEATURE_ID=6058 PEPMASS=431.0969 SCANS=6058 RTINSECONDS=1016.335 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 65.0081 1.0E2 98.0387 1.3E2 105.0307 1.9E2 119.0144 1.5E2 135.0509 1.2E2 151.0054 1.7E2 172.0531 1.2E2 175.0028 1.2E2 181.0649 1.6E2 195.0461 2.5E2 211.0439 1.8E2 214.4858 1.1E2 238.0673 1.2E2 240.0428 3.7E2 247.0080 1.3E2 267.0259 2.0E2 268.0362 9.4E3 268.1087 4.6E2 268.1937 1.5E2 269.0450 3.8E3 269.1276 2.9E2 269.1789 1.1E2 269.2060 1.1E2 270.0477 4.8E2 307.0212 1.5E2 320.0616 1.1E2 432.6749 1.2E2 END IONS BEGIN IONS FEATURE_ID=6059 PEPMASS=467.0730 SCANS=6059 RTINSECONDS=1016.335 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9982 2.2E2 265.0672 1.1E2 268.0369 4.1E3 269.0436 4.8E3 270.0441 4.8E2 278.1801 1.1E2 315.0752 1.7E2 433.0959 1.7E2 END IONS BEGIN IONS FEATURE_ID=6067 PEPMASS=895.1689 SCANS=6067 RTINSECONDS=1017.934 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 203.0286 1.2E2 219.0294 1.4E2 229.0101 1.5E2 233.0700 1.1E2 235.0175 1.9E2 247.0181 1.8E2 253.0399 2.4E2 269.0819 1.9E2 269.1016 1.0E2 271.0745 1.5E2 283.0719 1.6E2 295.0667 6.3E2 313.0661 5.2E2 314.0776 2.2E2 331.0788 2.4E2 331.2009 1.0E2 332.0826 3.4E2 339.0481 2.0E3 340.0536 2.3E2 357.0600 8.8E3 357.1594 2.4E2 357.2245 1.6E2 357.2342 1.9E2 357.2885 2.0E2 357.7520 1.7E2 358.0594 1.3E3 358.2467 1.3E2 358.2944 1.1E2 358.6292 1.6E2 359.0751 2.1E2 360.0571 1.1E2 504.2377 1.0E2 512.1137 1.7E2 521.0909 1.2E2 551.1755 1.5E2 555.1143 1.5E3 555.2611 1.1E2 556.1226 3.7E2 557.1043 1.0E2 575.9170 1.1E2 653.1115 3.9E2 851.1773 1.0E2 875.1001 1.3E2 895.1584 3.7E2 896.1826 3.5E2 897.1749 3.3E2 986.9912 1.3E2 END IONS BEGIN IONS FEATURE_ID=6086 PEPMASS=728.1307 SCANS=6086 RTINSECONDS=1017.934 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9978 2.2E2 109.0307 1.7E2 135.0436 7.9E2 149.0139 1.0E2 155.0733 1.2E2 159.0483 1.6E2 170.3993 1.9E2 175.0290 1.4E2 193.0086 2.1E2 197.0415 4.5E2 201.0119 1.3E2 218.0239 2.1E2 219.0219 1.9E2 223.0255 1.1E2 229.0139 1.2E3 243.0311 3.9E2 244.0378 1.8E2 248.0459 1.3E2 266.0571 2.6E2 269.0784 3.7E2 270.8790 1.2E2 278.0505 1.5E2 280.0268 2.7E2 288.0451 1.6E2 291.0612 6.4E2 293.0467 1.5E2 296.0551 1.3E2 296.1244 1.5E2 309.0445 1.6E2 310.0582 2.3E2 311.0520 2.6E2 312.0638 1.3E2 313.0720 4.5E2 315.0309 2.3E2 318.0560 1.7E2 321.0337 1.5E2 321.0881 1.2E2 335.0432 1.0E3 336.0499 2.4E2 337.0330 1.2E3 338.0411 1.7E2 339.0492 1.7E3 339.1550 1.2E2 339.7478 1.4E2 340.0544 2.8E2 341.0564 1.2E2 351.0124 1.5E2 353.0575 2.9E2 354.0810 1.2E2 357.0560 4.5E2 365.0688 7.1E2 365.1317 1.3E2 379.0388 1.5E2 399.0619 1.1E2 431.1070 1.7E2 449.4532 1.1E2 450.0242 1.1E2 475.1024 4.2E2 476.1088 1.3E2 489.9992 2.6E2 515.0848 3.4E2 516.0931 2.4E2 519.0932 1.4E2 531.9482 1.4E2 559.0821 2.9E2 563.0550 1.0E2 648.1690 1.4E2 END IONS BEGIN IONS FEATURE_ID=6095 PEPMASS=353.1480 SCANS=6095 RTINSECONDS=1021.747 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 74.0215 1.9E2 89.0273 1.3E2 92.0266 2.2E2 93.0343 1.2E3 93.0629 1.9E2 93.5412 1.0E2 106.0420 2.1E2 114.0565 1.6E2 118.0283 1.4E2 119.0497 1.3E3 127.0423 1.5E2 157.0487 2.3E2 190.0859 1.5E2 197.0697 2.3E2 208.4424 1.6E2 221.0584 2.4E2 236.0367 1.8E2 411.9044 2.6E2 671.5301 1.5E2 END IONS BEGIN IONS FEATURE_ID=6106 PEPMASS=715.1249 SCANS=6106 RTINSECONDS=1023.055 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9898 1.6E2 109.0284 1.3E3 109.1110 1.5E2 109.1881 1.3E2 135.0423 8.5E2 135.5226 1.1E2 136.0479 1.0E2 145.0251 1.9E2 157.0239 1.3E2 157.6527 1.2E2 161.0161 4.7E2 173.0462 2.6E2 179.0297 3.2E2 197.0435 1.5E3 197.1329 1.3E2 203.0209 1.9E2 229.0088 1.4E3 241.0466 1.4E2 242.7071 1.1E2 243.0268 2.3E3 243.1052 2.1E2 243.1722 1.4E2 244.0279 2.0E2 253.0448 1.5E2 263.0296 1.0E2 265.9070 1.0E2 267.0561 1.2E2 268.0558 1.4E2 269.0680 3.4E2 287.2367 2.7E2 295.0567 1.8E3 296.0560 2.5E2 308.0589 1.2E2 309.0640 2.9E2 311.0510 4.7E2 312.0539 1.4E2 313.0660 3.6E2 321.0594 1.3E3 322.0708 1.3E2 322.8949 1.0E2 331.0716 1.3E2 335.0476 5.2E2 335.1080 1.1E2 337.0276 5.2E3 337.1909 3.1E2 338.0327 8.6E2 339.0441 1.5E4 340.0491 2.4E3 341.0377 2.1E2 341.2419 1.5E2 351.0318 1.0E2 353.0598 2.5E3 353.1301 3.3E2 353.2285 1.3E2 354.0586 4.9E2 359.0706 4.9E2 365.0597 6.7E3 366.0614 1.7E3 367.0645 4.7E2 367.3068 1.2E2 383.0656 1.7E2 409.0400 1.5E2 410.0420 2.9E2 431.1035 1.1E3 432.1150 1.5E2 446.0774 2.7E2 446.1253 1.5E2 457.0903 4.8E2 458.0926 1.1E2 473.0663 1.7E2 475.0952 2.9E4 476.0989 5.6E3 476.3318 3.3E2 476.5788 1.5E2 476.7153 1.2E2 476.8953 2.2E2 477.0966 4.1E2 477.2528 1.4E2 478.1133 2.1E2 478.6285 1.8E2 491.0899 5.4E2 492.0874 1.5E2 493.1038 2.1E3 494.1168 3.8E2 501.0516 1.3E2 517.0707 5.5E2 517.1344 1.2E2 518.0753 1.1E2 518.8947 1.0E2 519.0842 3.1E4 520.0878 7.4E3 521.1019 7.6E2 521.1950 1.0E2 521.2924 1.5E2 521.4080 1.6E2 521.8571 1.0E2 522.4311 1.1E2 522.6620 1.1E2 527.8733 1.0E2 535.0804 3.0E2 536.0777 1.0E2 537.0940 2.2E3 538.0922 5.3E2 538.2098 1.6E2 539.0954 2.2E2 632.9563 2.1E2 635.6157 1.4E2 654.1422 2.6E2 671.1660 1.0E2 673.1332 1.6E2 715.1176 1.7E2 716.1601 1.3E2 717.1346 8.6E3 718.1352 2.8E3 718.2921 2.1E2 718.4937 1.5E2 718.6753 1.4E2 718.9362 1.6E2 719.1405 5.0E2 719.2338 2.1E2 720.3182 1.3E2 721.0606 1.5E2 END IONS BEGIN IONS FEATURE_ID=6141 PEPMASS=671.1369 SCANS=6141 RTINSECONDS=1027.473 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 197.0379 1.3E2 229.0059 1.4E2 242.0250 4.2E2 243.0226 1.2E2 249.1184 1.0E2 267.0670 1.4E2 275.0741 1.9E2 278.0481 1.3E2 293.0422 2.3E2 321.0390 6.5E2 339.0487 1.3E3 340.0527 3.2E2 341.0562 2.1E2 351.0423 4.6E2 354.0728 1.1E2 365.0638 1.5E2 429.1111 1.8E2 445.0888 2.1E2 473.0841 5.3E2 474.0880 2.1E2 475.1014 7.7E2 476.1102 1.3E2 491.1080 1.0E2 519.0916 3.0E2 520.0772 1.1E2 671.1414 4.2E2 672.1432 3.1E2 673.1237 1.1E2 END IONS BEGIN IONS FEATURE_ID=6144 PEPMASS=718.1459 SCANS=6144 RTINSECONDS=1027.473 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9950 1.3E2 109.0297 4.4E2 110.0303 2.2E2 157.0300 2.1E2 161.0233 3.9E2 184.4588 1.0E2 184.9268 1.0E2 216.0305 2.3E2 229.0102 4.3E2 230.0191 2.1E2 243.0306 8.4E2 244.0380 4.2E2 245.0365 1.2E2 267.0637 2.8E2 268.0633 2.5E2 277.0346 1.3E2 278.0500 2.8E2 293.0423 1.0E2 294.0444 2.9E2 295.0887 2.4E2 296.0609 2.0E2 309.0764 2.2E2 311.0541 1.6E2 312.0564 1.3E2 314.0708 2.7E2 321.0656 2.0E2 322.0592 1.7E2 323.0801 4.9E2 335.0503 1.1E2 336.0584 1.9E2 339.0481 1.2E3 339.0938 3.3E2 339.2075 1.0E2 340.0588 4.8E2 341.0612 3.4E2 353.0595 1.6E2 354.0714 2.8E2 354.7764 1.1E2 361.0909 1.6E2 365.0634 4.1E2 366.0683 7.5E2 367.0707 3.7E2 432.1171 1.4E2 476.1000 4.8E2 476.1532 1.3E2 END IONS BEGIN IONS FEATURE_ID=6165 PEPMASS=717.1415 SCANS=6165 RTINSECONDS=1027.473 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 109.0287 8.1E2 135.0482 1.9E2 151.0400 1.6E2 159.0410 2.4E2 161.0248 2.3E2 188.0467 1.3E2 197.0440 9.7E2 198.0401 1.4E2 199.0434 1.8E2 215.0340 1.9E2 224.0365 1.1E2 229.0127 9.0E2 229.0682 1.6E2 230.0216 1.5E2 243.0302 2.3E3 243.0959 2.3E2 243.1730 1.6E2 243.2115 1.3E2 244.0325 2.8E2 249.0475 4.0E2 253.0528 1.1E2 265.0436 1.6E2 266.0553 2.2E2 267.0604 7.9E2 269.0815 1.7E2 277.0487 4.6E2 291.0635 1.2E2 293.0589 1.3E2 295.0601 9.2E2 296.0717 1.2E2 309.0832 1.8E2 311.0530 3.8E2 312.0515 1.2E2 313.0732 1.1E2 321.0716 5.0E2 322.0738 1.6E2 323.0835 1.1E2 335.0427 1.6E2 336.0585 1.5E2 339.0490 3.2E3 340.0506 4.7E2 341.0546 2.8E2 341.0912 1.3E2 353.0637 8.1E2 353.1764 1.8E2 354.0668 1.9E2 365.0644 2.4E3 366.0701 1.2E3 431.1044 1.4E2 475.0996 7.6E2 476.1007 4.4E2 END IONS BEGIN IONS FEATURE_ID=6214 PEPMASS=671.1364 SCANS=6214 RTINSECONDS=1036.394 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 113.0200 1.6E2 159.0412 1.6E2 186.0213 1.5E2 187.0400 1.2E2 197.0446 1.8E2 216.0410 1.2E2 229.0102 3.8E2 242.0331 2.7E2 242.1623 1.3E2 243.0249 2.1E2 246.0535 1.0E2 246.5374 1.1E2 253.0443 1.4E2 255.0233 2.6E2 277.0370 1.3E2 279.0992 1.1E2 284.0509 1.1E2 293.0405 4.0E2 294.0469 1.8E2 295.0608 2.1E2 299.0518 2.7E2 314.1577 1.6E2 321.0341 7.6E2 336.1331 1.1E2 337.0653 2.0E2 339.0470 5.4E2 340.0570 2.1E2 351.0512 1.7E2 363.0934 2.4E2 363.9409 1.1E2 365.0599 2.6E2 429.0941 1.5E2 432.1205 1.1E2 445.0698 1.2E2 509.2724 2.4E2 509.3209 1.1E2 520.3194 1.4E2 END IONS BEGIN IONS FEATURE_ID=6245 PEPMASS=709.0795 SCANS=6245 RTINSECONDS=1038.852 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 103.0072 1.1E2 135.0446 1.2E2 151.0397 1.1E2 168.8373 2.2E2 180.0300 1.3E2 207.9103 1.1E2 275.0201 1.4E2 278.0324 1.2E2 282.0377 1.4E2 304.8787 1.1E2 307.0258 5.3E2 308.0210 2.5E2 309.0326 1.4E2 332.9994 2.3E2 333.1179 1.0E2 334.0068 1.4E2 335.0185 3.7E3 335.1709 1.1E2 335.2273 1.1E2 336.0206 1.1E3 337.0346 1.3E3 338.0339 1.2E2 339.0558 1.3E2 353.0280 1.4E2 365.0282 1.3E2 445.0895 2.9E2 469.0473 1.5E2 471.0539 2.1E2 475.6542 1.0E2 489.0729 3.5E2 511.1905 1.9E2 531.0409 4.5E2 535.0779 1.7E2 548.2750 1.4E2 551.2421 1.7E2 599.2314 1.0E2 621.0874 1.4E2 623.1107 1.3E2 667.2720 1.1E2 677.2348 1.2E2 709.2341 1.9E2 709.3190 1.5E2 710.3402 1.7E2 711.0835 2.9E2 711.1917 1.2E2 711.3547 1.8E2 END IONS BEGIN IONS FEATURE_ID=6270 PEPMASS=343.2104 SCANS=6270 RTINSECONDS=1041.739 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0316 1.1E2 83.0517 2.4E2 85.0306 3.0E2 87.0454 1.3E2 97.0320 1.3E2 109.0658 1.0E2 113.0580 1.3E2 127.1061 1.0E2 133.0115 1.2E2 147.3502 1.1E2 153.0898 2.9E2 155.1066 1.5E2 171.1029 5.5E2 171.1475 1.1E2 183.1064 2.2E2 195.1403 1.2E2 201.1091 1.4E2 209.1211 3.8E2 211.1290 3.0E2 221.1121 1.5E2 229.1399 5.6E2 245.1906 1.1E2 249.1447 1.5E2 343.2146 1.1E3 344.2173 4.2E2 345.1988 1.5E2 909.6242 2.1E2 END IONS BEGIN IONS FEATURE_ID=6273 PEPMASS=643.1386 SCANS=6273 RTINSECONDS=1041.739 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 89.0240 2.4E2 135.0396 1.1E2 219.0465 1.1E2 238.0506 1.5E2 268.0386 1.4E2 281.0293 1.3E2 283.0203 1.7E2 284.0332 2.4E3 285.0362 3.4E2 285.0434 1.7E2 286.0389 1.4E2 298.0398 2.1E2 299.0561 8.3E3 299.1654 2.0E2 299.2104 1.1E2 299.2594 1.4E2 299.2662 1.1E2 299.5301 1.0E2 299.8735 1.2E2 300.0580 1.5E3 301.0718 2.0E2 369.0747 1.4E2 463.1828 1.1E2 607.1652 4.6E2 608.1808 1.1E2 634.9117 1.1E2 655.7916 1.1E2 977.0740 1.1E2 END IONS BEGIN IONS FEATURE_ID=6286 PEPMASS=303.0897 SCANS=6286 RTINSECONDS=1043.886 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 68.1131 1.2E2 79.9619 1.6E2 83.0509 1.9E2 96.9601 7.5E3 97.0098 4.5E2 97.0438 1.8E2 97.0485 1.5E2 98.9544 3.1E2 98.9592 1.9E2 125.0938 1.9E2 125.1024 1.0E2 187.0981 4.9E2 240.8095 1.0E2 303.0865 1.2E3 304.0965 1.4E2 731.2659 2.6E2 END IONS BEGIN IONS FEATURE_ID=6313 PEPMASS=467.0722 SCANS=6313 RTINSECONDS=1048.279 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0135 1.1E2 159.0553 1.4E2 181.0558 1.1E2 241.0418 1.6E2 248.4594 1.4E2 268.0362 5.2E3 268.7301 1.3E2 269.0430 3.7E3 270.0440 5.9E2 270.1170 1.2E2 272.2818 1.1E2 343.0585 1.8E2 431.0953 1.5E2 432.0922 1.0E2 701.6835 1.5E2 END IONS BEGIN IONS FEATURE_ID=6328 PEPMASS=431.0960 SCANS=6328 RTINSECONDS=1050.519 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 83.0101 2.2E2 83.0475 1.2E2 94.0027 1.7E2 101.0232 2.7E2 117.0366 4.1E2 121.9932 2.5E2 148.0107 1.8E2 149.0179 1.5E2 149.0236 2.5E2 150.0000 1.4E2 150.9939 2.1E2 167.0485 2.6E2 183.5021 1.5E2 183.9559 1.3E2 184.0492 2.4E2 195.0450 1.9E2 198.0263 1.5E2 200.0420 1.3E2 200.0476 1.1E2 201.0453 2.1E2 211.0393 4.0E2 212.0412 2.9E2 228.0285 1.2E2 240.0362 1.1E3 241.0306 2.7E2 241.0390 1.2E2 250.9687 2.0E2 267.0292 2.0E2 267.0712 1.1E2 268.0349 1.8E4 269.0416 6.7E3 269.1705 1.4E2 269.7836 1.2E2 269.9947 1.1E2 270.0454 1.3E3 271.0465 5.3E2 312.0484 1.7E2 END IONS BEGIN IONS FEATURE_ID=6374 PEPMASS=447.0910 SCANS=6374 RTINSECONDS=1057.179 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 133.0263 3.2E2 133.0324 1.3E2 150.9985 2.9E2 151.0082 1.0E2 176.0485 1.5E2 199.0399 2.4E2 200.0384 1.9E2 211.0393 2.7E2 217.0467 2.2E2 257.0368 1.0E2 268.9265 1.3E2 284.9536 1.1E2 285.0400 1.3E4 286.0422 2.1E3 286.0874 2.6E2 286.9363 1.0E2 287.0548 2.0E2 303.1158 1.1E2 315.9671 1.0E2 447.0784 1.1E2 449.0868 1.8E2 666.7686 1.6E2 END IONS BEGIN IONS FEATURE_ID=6385 PEPMASS=395.0503 SCANS=6385 RTINSECONDS=1058.926 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9922 2.4E3 73.0391 1.4E2 87.0069 1.5E2 105.0327 1.3E2 123.0452 6.0E2 132.0183 3.2E2 132.9914 1.8E2 133.0296 1.6E3 133.0929 1.4E2 133.1380 1.1E2 134.0349 4.2E2 135.0435 2.8E3 135.1386 1.7E2 136.0547 1.8E2 161.0238 6.8E3 161.5667 1.0E2 162.0245 9.0E2 162.6780 1.1E2 163.0260 3.4E2 179.0312 2.5E3 179.1538 1.2E2 197.0414 1.8E2 239.0733 1.1E2 END IONS BEGIN IONS FEATURE_ID=6391 PEPMASS=343.2102 SCANS=6391 RTINSECONDS=1060.921 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0507 1.4E2 83.0496 3.3E2 84.0235 2.2E2 95.0554 1.1E2 96.0516 2.2E2 137.1016 1.2E2 167.1446 1.1E2 181.1187 1.2E2 209.1153 2.2E2 226.5985 1.9E2 END IONS BEGIN IONS FEATURE_ID=6392 PEPMASS=597.2636 SCANS=6392 RTINSECONDS=1060.921 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 121.0237 1.4E2 150.0608 1.9E2 233.0468 1.4E2 336.1747 1.1E2 388.1117 1.5E2 525.0207 1.2E2 END IONS BEGIN IONS FEATURE_ID=6407 PEPMASS=607.1615 SCANS=6407 RTINSECONDS=1063.209 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 83.0219 1.0E2 181.8309 1.2E2 223.1275 1.0E2 284.0313 6.6E3 284.1652 2.2E2 284.1856 1.4E2 284.2324 1.1E2 284.7653 1.4E2 285.0308 1.4E3 286.0383 4.7E2 298.9666 1.2E2 299.0540 1.1E4 299.2105 1.7E2 300.0551 2.0E3 300.1333 1.8E2 301.0458 6.0E2 301.0600 1.5E2 302.0215 1.7E2 314.0640 1.0E2 338.5227 1.0E2 365.0560 1.1E2 430.9567 1.7E2 448.0236 1.3E2 522.9993 1.6E2 561.2803 3.2E2 577.2095 1.4E2 607.1602 2.8E3 607.2957 3.3E2 607.3916 1.3E2 607.5904 1.7E2 608.1678 5.6E2 609.1817 1.5E2 655.5544 2.2E2 END IONS BEGIN IONS FEATURE_ID=6409 PEPMASS=643.1385 SCANS=6409 RTINSECONDS=1063.209 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 103.0438 1.8E2 125.0223 1.8E2 144.8829 1.2E2 161.0611 1.1E2 284.0344 1.1E3 286.0421 1.4E2 299.0533 5.9E3 299.6764 1.1E2 299.8633 1.3E2 300.0600 9.7E2 306.0545 2.6E2 342.0603 1.0E2 488.1211 1.0E2 596.1990 1.6E2 607.1760 2.8E2 END IONS BEGIN IONS FEATURE_ID=6445 PEPMASS=313.0677 SCANS=6445 RTINSECONDS=1068.115 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 123.0389 1.8E2 133.0268 3.1E2 134.0253 1.2E2 135.0446 1.0E2 151.0351 2.9E2 152.0386 2.6E2 161.0194 2.9E3 161.1200 1.4E2 162.0224 7.2E2 271.0149 1.3E2 END IONS BEGIN IONS FEATURE_ID=6460 PEPMASS=395.0525 SCANS=6460 RTINSECONDS=1071.423 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 72.9935 5.3E3 73.0627 1.8E2 107.3990 1.0E2 109.0237 1.6E2 113.5568 1.8E2 123.0455 1.7E3 123.0516 1.1E2 123.0862 1.1E2 124.0485 1.3E2 129.0272 2.0E2 133.0277 3.5E3 133.0874 1.0E2 133.1336 1.4E2 134.0306 5.0E2 134.0567 1.6E2 134.8261 1.1E2 135.0442 5.2E3 135.1471 3.0E2 135.1843 1.1E2 136.0506 1.9E2 146.0419 1.6E2 156.1237 2.5E2 161.0219 3.0E4 161.1376 4.9E2 161.3681 1.6E2 161.5561 1.2E2 161.6156 1.3E2 161.6852 1.3E2 162.0205 1.2E3 162.0252 3.4E3 162.2519 1.4E2 163.0181 1.4E2 163.0269 1.8E2 179.0327 4.5E3 180.0320 6.1E2 181.0299 1.9E2 182.0341 1.4E2 195.5416 1.0E2 197.0447 9.1E3 198.0460 1.3E3 198.0512 3.5E2 198.1014 1.0E2 198.1094 1.0E2 223.0264 1.4E2 280.6498 1.1E2 359.0736 1.6E3 360.0676 5.2E2 402.9330 2.0E2 444.5137 1.0E2 891.8596 1.1E2 END IONS BEGIN IONS FEATURE_ID=6469 PEPMASS=343.2098 SCANS=6469 RTINSECONDS=1072.652 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0569 1.6E2 69.0375 2.6E2 83.0488 3.9E2 85.0263 4.0E2 91.0546 1.7E2 97.0686 1.6E2 106.0417 2.6E2 135.0784 2.2E2 171.0930 1.3E2 179.0326 2.0E2 202.0638 1.0E2 324.9494 1.1E2 END IONS BEGIN IONS FEATURE_ID=6475 PEPMASS=179.0334 SCANS=6475 RTINSECONDS=1072.715 CHARGE=1- MSLEVEL=2 106.0458 2.1E2 107.0568 1.5E2 117.0355 2.0E2 134.0383 4.7E2 134.0681 1.2E2 135.0477 1.3E3 135.1328 1.0E2 136.0497 2.9E2 212.6057 1.3E2 675.8897 1.9E2 END IONS BEGIN IONS FEATURE_ID=6476 PEPMASS=313.0700 SCANS=6476 RTINSECONDS=1073.916 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 77.0385 1.9E2 105.0356 4.5E2 132.0212 3.7E2 133.0275 1.2E3 133.0684 1.9E2 134.0293 3.3E2 135.0378 2.3E2 150.0289 4.7E2 161.0238 4.3E2 END IONS BEGIN IONS FEATURE_ID=6487 PEPMASS=161.0231 SCANS=6487 RTINSECONDS=1075.61 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 65.0038 1.7E2 104.0281 2.3E2 105.0284 2.7E2 132.0197 1.6E2 366.9198 1.0E2 END IONS BEGIN IONS FEATURE_ID=6490 PEPMASS=197.0436 SCANS=6490 RTINSECONDS=1076.783 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 134.0395 1.4E2 135.0437 1.1E2 727.3520 1.0E2 END IONS BEGIN IONS FEATURE_ID=6497 PEPMASS=359.0743 SCANS=6497 RTINSECONDS=1077.121 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 32 (0 removed due to low quality, 31 removed due to low cosine). 72.9927 2.1E3 73.0719 1.3E2 123.0423 1.2E3 124.0494 2.1E2 133.0276 2.3E3 134.0370 2.7E2 135.0427 1.7E3 135.0996 1.5E2 136.0512 2.7E2 161.0220 1.7E3 162.0298 1.4E2 179.0353 4.9E2 180.0343 1.6E2 END IONS BEGIN IONS FEATURE_ID=6512 PEPMASS=381.0579 SCANS=6512 RTINSECONDS=1080.736 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 85.0777 2.6E2 93.0332 7.3E2 118.0260 1.2E2 122.0438 2.0E2 123.0467 3.1E2 134.0385 8.1E2 135.0422 2.7E3 135.1522 1.3E2 136.0489 1.2E2 148.0551 2.9E2 149.0580 2.1E2 150.0303 2.1E2 161.0627 1.2E2 173.0246 5.3E2 175.0227 1.2E2 190.0574 1.4E2 201.0169 2.1E2 204.0674 2.7E2 219.0248 4.5E2 247.1073 6.3E2 248.1174 1.3E2 END IONS BEGIN IONS FEATURE_ID=6524 PEPMASS=719.1580 SCANS=6524 RTINSECONDS=1080.736 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.9934 5.7E2 109.0326 1.9E2 133.0265 7.5E2 133.0697 1.3E2 135.0452 4.2E2 161.0246 5.0E3 162.0289 4.1E2 179.0314 4.9E2 180.0380 3.1E2 197.0451 2.0E3 197.1364 1.3E2 198.0458 3.8E2 239.0634 1.4E2 243.0236 1.8E2 244.0300 1.0E2 341.0667 1.2E2 353.0648 1.2E2 355.0624 1.7E2 END IONS BEGIN IONS FEATURE_ID=6525 PEPMASS=179.0338 SCANS=6525 RTINSECONDS=1080.736 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 79.0543 1.6E2 107.0464 2.6E2 109.0273 2.3E2 134.0357 8.1E2 135.0421 1.3E3 135.0807 1.8E2 136.0460 1.3E2 END IONS BEGIN IONS FEATURE_ID=6530 PEPMASS=395.0509 SCANS=6530 RTINSECONDS=1080.782 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 12 (0 removed due to low quality, 7 removed due to low cosine). 72.9940 5.5E3 73.0506 1.0E2 101.9419 1.6E2 107.0485 2.5E2 109.0289 1.3E2 123.0443 3.5E3 123.0825 1.4E2 124.0396 1.1E2 129.0408 1.9E2 132.0259 4.6E2 133.0287 5.9E3 133.0984 1.1E2 133.1374 1.4E2 133.3160 1.4E2 134.0342 8.4E2 135.0439 6.2E3 135.0792 2.5E2 135.1032 2.1E2 135.5084 1.1E2 136.0453 2.5E2 136.0507 2.9E2 137.0239 1.5E2 138.0199 1.2E2 146.0368 2.0E2 161.0230 3.6E4 161.1366 1.6E2 161.5295 1.4E2 162.0244 3.3E3 163.0330 4.6E2 179.0321 5.0E3 179.0371 5.7E2 179.1186 1.2E2 179.4936 1.4E2 180.0310 2.3E2 180.0359 2.9E2 197.0432 1.0E4 197.1677 2.4E2 198.0456 7.6E2 198.0508 4.2E2 199.0393 1.1E2 219.0196 2.1E2 223.0206 1.2E2 231.0177 1.3E2 234.9882 1.7E2 251.0198 1.0E2 335.0114 1.4E2 357.0476 1.0E2 357.0586 1.6E2 359.0786 1.5E3 359.2656 1.2E2 360.0795 6.3E2 849.0243 2.2E2 867.1630 1.6E2 END IONS BEGIN IONS FEATURE_ID=6538 PEPMASS=383.1601 SCANS=6538 RTINSECONDS=1083.095 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 92.0230 2.2E2 93.0359 3.6E2 133.0255 1.2E2 134.0362 7.3E2 135.0458 9.9E2 135.6554 1.3E2 136.0472 2.2E2 148.0483 1.2E2 150.0574 1.5E2 163.0748 1.8E2 164.0566 1.1E2 176.0372 1.4E2 190.0810 2.8E2 204.0730 1.6E2 232.0708 1.8E2 233.0903 1.1E2 247.1020 6.0E2 248.1151 1.8E2 258.0275 1.3E2 273.8413 2.0E2 811.4548 1.2E2 END IONS BEGIN IONS FEATURE_ID=6539 PEPMASS=161.0229 SCANS=6539 RTINSECONDS=1082.372 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0039 1.3E2 115.0152 1.9E2 132.0165 1.3E2 END IONS BEGIN IONS FEATURE_ID=6560 PEPMASS=313.0706 SCANS=6560 RTINSECONDS=1083.095 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 105.0336 1.7E2 123.0450 1.4E2 124.0486 1.2E2 133.0329 2.9E2 151.0356 3.7E2 161.0232 7.5E3 161.1376 1.6E2 161.1731 1.5E2 162.0216 4.7E2 162.0308 6.1E2 163.0230 1.2E2 169.0664 1.1E2 209.1096 1.1E2 225.0520 1.1E2 229.0558 1.5E2 313.1260 1.6E2 314.1009 1.2E2 421.2419 1.5E2 521.7729 1.1E2 543.0074 1.1E2 END IONS BEGIN IONS FEATURE_ID=6612 PEPMASS=497.0812 SCANS=6612 RTINSECONDS=1094.204 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 82.7356 1.0E2 117.6963 1.1E2 149.0182 2.2E2 167.0427 1.4E2 274.1403 1.2E2 283.1041 2.4E2 284.0241 2.8E2 299.0526 5.0E3 299.1709 1.1E2 300.0604 1.1E3 301.0589 3.1E2 301.1098 1.0E2 302.0603 1.3E2 308.0047 1.7E2 309.0340 2.0E2 317.0071 1.9E2 323.0544 1.2E2 327.0449 1.2E2 349.9993 1.4E2 372.9877 1.7E2 375.0098 1.1E2 400.8879 1.7E2 445.0765 1.1E2 498.2025 1.1E2 608.1131 1.4E2 END IONS BEGIN IONS FEATURE_ID=6644 PEPMASS=313.0697 SCANS=6644 RTINSECONDS=1101.748 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 123.0447 1.2E2 133.0314 4.6E2 134.0344 1.6E2 134.6301 1.0E2 151.0372 2.7E2 161.0225 5.2E3 161.1391 2.3E2 162.0275 3.1E2 254.0519 1.0E2 299.0260 1.0E2 END IONS BEGIN IONS FEATURE_ID=6668 PEPMASS=357.0590 SCANS=6668 RTINSECONDS=1106.517 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9939 1.0E4 73.0715 4.9E2 73.2735 1.5E2 73.3537 1.3E2 73.4085 1.0E2 73.9966 4.0E2 74.1680 1.0E2 92.9368 1.1E2 93.0332 1.9E2 105.0318 4.8E2 107.0502 2.1E2 109.0322 1.4E2 115.0154 1.3E2 117.0375 3.4E2 117.2742 1.4E2 123.0439 1.7E3 123.0814 2.8E2 123.1344 1.0E2 132.0212 3.2E2 133.0269 3.8E3 133.1364 2.1E2 133.3672 1.1E2 134.0351 3.7E2 134.0604 1.3E2 135.0432 7.3E3 135.1491 2.8E2 136.0458 9.4E2 137.0457 3.1E2 142.2765 1.1E2 146.0316 1.1E2 149.0279 1.0E2 150.0246 1.2E2 151.0402 1.1E3 153.0514 2.7E2 153.6496 1.0E2 154.0519 1.4E2 159.9109 1.2E2 160.0875 1.1E2 160.8669 1.0E2 161.0232 9.4E4 161.6763 2.6E2 161.8527 1.5E2 161.9650 1.1E2 162.0262 1.0E4 162.3911 1.8E2 162.4773 1.2E2 162.7006 1.2E2 163.0249 3.3E2 163.6452 1.7E2 163.6904 1.2E2 163.8657 1.2E2 164.7474 1.1E2 178.0214 1.8E2 178.4931 1.8E2 179.0331 1.9E4 179.7698 1.4E2 179.8817 1.1E2 179.9281 1.6E2 180.0352 2.4E3 180.1344 1.7E2 180.1577 1.3E2 180.3820 1.2E2 181.6542 1.1E2 185.1115 1.9E2 195.1435 1.5E2 195.8146 1.0E2 196.4380 1.0E2 197.0436 3.7E4 197.8026 2.5E2 197.8892 1.3E2 197.9640 1.7E2 198.0480 3.3E3 198.1493 2.3E2 198.2056 1.4E2 198.3067 1.5E2 198.3879 1.3E2 198.6429 1.0E2 198.8770 1.2E2 231.0245 1.6E2 251.1052 1.8E2 293.0419 1.6E2 293.3128 1.5E2 315.0820 1.7E2 326.2254 2.3E2 357.0635 2.5E2 359.0689 1.4E2 360.0660 1.5E2 360.1930 1.8E2 524.1487 1.0E2 922.4070 1.2E2 END IONS BEGIN IONS FEATURE_ID=6669 PEPMASS=417.0318 SCANS=6669 RTINSECONDS=1106.517 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 69.0422 1.8E2 72.9956 1.1E2 73.0206 1.1E2 117.0307 1.5E2 133.0287 1.1E2 134.0360 2.0E2 135.0427 2.6E3 135.1504 1.5E2 136.0464 3.0E2 157.0325 1.1E2 161.0198 4.8E2 173.0193 1.9E2 179.0328 5.9E2 192.9763 1.1E2 197.0280 1.1E2 198.0367 1.1E2 201.0152 2.2E2 219.0276 3.5E2 239.1364 1.0E2 243.7854 1.7E2 277.0399 1.3E2 285.0412 1.4E2 END IONS BEGIN IONS FEATURE_ID=6691 PEPMASS=395.0541 SCANS=6691 RTINSECONDS=1109.646 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (2 removed due to low quality, 2 removed due to low cosine). 72.9924 3.5E3 86.6064 1.6E2 105.0306 2.9E2 117.0305 2.6E2 123.0457 1.1E3 133.0282 1.7E3 133.0854 1.4E2 134.0309 6.0E2 135.0450 2.8E3 135.1021 2.9E2 135.9510 1.0E2 136.0495 1.4E2 159.4892 1.1E2 161.0217 1.8E4 162.0272 2.0E3 162.0917 1.1E2 162.1378 1.0E2 162.8386 1.2E2 163.0324 3.4E2 179.0339 2.2E3 180.0333 6.4E2 196.0993 1.2E2 197.0424 4.2E3 197.1678 2.4E2 197.9826 1.5E2 198.0454 2.8E2 199.0442 1.0E2 234.9958 1.7E2 337.0622 1.2E2 359.0731 5.8E2 360.0805 4.2E2 395.0687 1.1E2 609.2772 1.2E2 724.4327 1.0E2 END IONS BEGIN IONS FEATURE_ID=6693 PEPMASS=741.1476 SCANS=6693 RTINSECONDS=1109.876 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 124.0493 1.8E2 135.0447 1.2E3 157.0272 2.6E2 161.0250 9.4E2 162.0357 1.0E2 179.0368 3.9E3 180.0362 6.8E2 180.0750 1.3E2 180.1771 1.1E2 197.0487 5.2E2 198.0502 1.8E2 201.0185 1.7E3 201.0898 1.5E2 202.0150 2.7E2 219.0286 3.5E3 219.4164 1.2E2 220.0344 3.5E2 322.0481 1.7E2 359.0737 2.9E2 360.0845 1.1E2 381.0669 1.4E3 381.1889 1.2E2 382.0749 4.8E2 561.1014 1.0E2 END IONS BEGIN IONS FEATURE_ID=6730 PEPMASS=395.0502 SCANS=6730 RTINSECONDS=1116.235 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 72.9931 5.9E3 73.0364 2.0E2 73.0712 3.3E2 77.0418 1.9E2 93.0355 1.3E2 107.0514 3.3E2 109.0299 1.3E2 123.0446 2.0E3 124.0130 1.0E2 124.0473 1.4E2 133.0278 3.5E3 133.0645 2.6E2 133.1134 1.5E2 134.0324 1.1E3 134.0648 1.2E2 135.0436 3.6E3 136.0500 2.0E2 151.0377 4.3E2 161.0223 2.3E4 161.1313 3.4E2 162.0245 1.8E3 162.0843 1.1E2 163.0231 1.1E2 178.0289 1.0E2 179.0341 2.7E3 195.0262 2.4E2 197.0371 1.6E2 197.0435 3.5E3 197.3711 1.0E2 198.0471 4.6E2 198.5094 1.3E2 198.5594 1.4E2 199.0427 1.5E2 205.7929 1.2E2 219.0600 1.1E2 231.0240 1.8E2 277.1502 1.0E2 358.0619 3.1E2 359.0737 9.3E2 END IONS BEGIN IONS FEATURE_ID=6739 PEPMASS=717.1491 SCANS=6739 RTINSECONDS=1116.37 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.8629 1.1E2 72.9951 2.1E3 73.0392 1.1E2 77.0411 2.0E2 96.0536 1.3E2 105.0337 5.0E2 106.0390 1.6E2 108.0219 1.5E2 109.0312 1.1E2 109.0403 1.1E2 123.0467 1.0E3 123.0980 1.3E2 132.0281 2.0E2 133.0286 2.8E3 133.0871 1.6E2 133.8657 1.6E2 135.0445 3.2E3 151.0405 2.2E3 152.0443 8.7E2 160.6962 1.3E2 161.0231 5.0E4 161.1389 3.4E3 161.6166 1.8E2 161.9733 1.1E2 162.0269 4.4E3 162.1389 2.5E2 162.1451 1.5E2 162.3905 1.4E2 162.6590 1.4E2 162.8794 1.4E2 174.0233 1.1E2 177.0201 1.0E3 178.0243 3.1E2 179.0352 7.3E3 179.1221 2.5E2 179.6909 1.3E2 180.0375 9.1E2 195.0346 1.2E2 195.9814 1.1E2 197.0455 1.6E4 197.1736 3.4E2 198.0476 7.2E2 198.0530 3.1E2 198.0847 1.7E2 198.2450 1.3E2 199.0479 1.0E2 223.0219 1.2E2 229.0014 1.4E2 245.0410 1.2E2 313.0731 1.5E2 317.4690 1.0E2 321.0532 1.4E2 323.0451 1.2E2 339.0458 2.9E2 339.0556 2.2E2 340.0460 1.3E2 357.0636 1.7E2 359.0702 1.1E3 359.1150 1.3E2 360.0732 2.0E2 365.0733 1.1E2 475.0952 1.3E2 495.1411 1.2E2 557.2899 1.2E2 END IONS BEGIN IONS FEATURE_ID=6741 PEPMASS=357.0585 SCANS=6741 RTINSECONDS=1118.543 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0048 2.2E2 72.9936 3.0E4 73.0717 1.8E3 73.3799 1.8E2 73.4895 1.0E2 73.5834 1.2E2 73.6900 1.2E2 74.0021 7.1E2 74.4294 1.1E2 75.0025 2.1E2 77.0439 6.7E2 79.0184 2.0E2 79.0563 9.0E2 81.0350 2.8E2 89.0376 2.6E2 91.0589 3.3E2 95.0152 1.2E2 95.0518 3.8E2 99.0114 1.8E2 104.0273 4.2E2 105.0368 8.7E2 106.0431 2.1E2 107.0173 1.1E2 107.0500 1.2E3 107.1422 1.1E2 108.0200 2.5E2 108.0516 1.5E2 109.0307 1.3E3 110.0341 1.1E2 115.0195 4.0E2 121.0275 3.3E2 122.0359 6.0E2 122.1005 1.1E2 122.1343 1.0E2 123.0448 2.0E4 123.6904 2.1E2 123.8975 1.3E2 124.0475 1.4E3 124.1523 1.2E2 124.7823 1.1E2 125.0184 2.7E2 131.0507 1.2E2 132.0211 2.7E3 132.1272 1.2E2 132.9650 2.0E2 133.0289 4.4E4 133.7326 1.3E2 133.8586 2.1E2 133.9635 1.0E2 134.0339 5.8E3 134.1393 3.6E2 134.2968 1.8E2 134.8240 1.1E2 135.0443 4.5E4 135.6856 1.7E2 135.8086 1.2E2 135.9567 1.3E2 136.0475 2.9E3 136.1077 3.2E2 136.1510 2.0E2 136.1962 1.2E2 136.2408 1.2E2 136.2795 1.6E2 136.3242 1.3E2 136.6114 1.4E2 137.0495 2.0E2 149.0234 2.0E2 149.0546 1.5E2 150.0277 2.6E2 151.0368 1.4E3 151.1027 1.2E2 152.0454 2.2E2 157.0281 1.4E2 159.6929 1.2E2 160.0079 1.4E2 160.2802 1.0E2 160.9245 1.8E2 161.0228 4.8E4 161.6378 1.9E2 161.8189 1.0E2 162.0273 3.5E3 162.0817 4.4E2 162.1183 2.1E2 162.1702 1.7E2 162.2475 1.5E2 162.2868 1.3E2 163.0274 4.9E2 163.6296 1.4E2 179.0325 8.6E3 180.0353 7.4E2 180.0862 1.5E2 180.1100 1.1E2 181.0315 2.7E2 185.1122 1.2E2 186.0648 1.1E2 196.0472 2.0E2 197.0437 1.1E3 207.0217 1.5E2 207.0864 1.9E2 240.0356 1.2E2 254.0375 2.3E2 270.1079 2.1E2 662.2261 1.2E2 856.7042 2.6E2 END IONS BEGIN IONS FEATURE_ID=6749 PEPMASS=719.1651 SCANS=6749 RTINSECONDS=1118.539 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9939 5.1E2 89.0064 2.6E2 133.0288 2.7E2 134.0356 1.0E2 135.0467 3.8E2 151.0388 1.1E2 151.0437 1.0E2 161.0264 1.6E4 161.1401 5.2E2 162.0280 1.8E3 162.4310 1.0E2 163.0319 1.7E2 179.0382 1.2E3 180.0467 1.5E2 181.0400 1.4E2 197.0484 5.1E3 197.1711 1.9E2 198.0486 4.9E2 199.0530 1.7E2 223.0243 1.2E2 223.0314 1.6E2 315.0665 1.4E2 359.0840 1.0E4 359.2558 6.8E2 360.0882 2.4E3 360.2542 2.3E2 360.3148 1.1E2 360.8503 1.1E2 361.0877 5.7E2 END IONS BEGIN IONS FEATURE_ID=6750 PEPMASS=720.1689 SCANS=6750 RTINSECONDS=1118.539 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9947 2.4E2 123.0474 2.4E2 133.0260 1.8E2 135.0458 3.6E2 136.0542 1.7E2 161.0238 6.5E3 162.0261 2.3E3 162.3630 1.2E2 162.6019 1.3E2 163.0251 4.2E2 179.0347 3.9E2 180.0335 5.8E2 197.0437 2.0E3 198.0436 6.5E2 359.0793 1.2E2 360.0727 1.1E2 438.2910 1.1E2 END IONS BEGIN IONS FEATURE_ID=6767 PEPMASS=197.0447 SCANS=6767 RTINSECONDS=1119.564 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 67.0519 1.3E2 106.0426 1.1E2 122.0394 2.5E2 431.8819 1.4E2 END IONS BEGIN IONS FEATURE_ID=6768 PEPMASS=359.0753 SCANS=6768 RTINSECONDS=1119.224 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 14 (0 removed due to low quality, 12 removed due to low cosine). 72.9942 3.3E3 73.9926 1.4E2 89.0377 1.0E2 93.0302 1.3E2 94.3769 1.3E2 104.0278 1.4E2 107.0516 2.5E2 109.0283 8.8E2 115.0179 1.1E2 116.0162 1.5E2 123.0451 3.4E3 123.1434 1.8E2 124.0449 1.2E2 124.0490 2.0E2 132.0175 3.3E2 132.6362 1.1E2 133.0278 5.5E3 133.1349 3.6E2 133.2930 1.3E2 134.0368 1.1E3 135.0435 5.2E3 135.1372 1.4E2 136.0495 3.3E2 136.8058 1.3E2 151.0393 1.9E2 160.0180 1.3E2 161.0225 6.7E3 161.1356 2.3E2 161.4807 1.0E2 162.0220 3.2E2 162.0271 5.6E2 162.0612 1.2E2 179.0325 9.6E2 179.0702 1.6E2 899.7680 1.6E2 END IONS BEGIN IONS FEATURE_ID=6783 PEPMASS=313.0687 SCANS=6783 RTINSECONDS=1120.803 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 104.0203 1.1E2 105.0339 2.4E2 122.0330 2.1E2 132.0195 3.8E2 133.0256 2.0E3 133.5899 1.1E2 134.0278 3.4E2 150.0264 1.7E2 161.0214 1.0E3 163.0285 2.5E2 END IONS BEGIN IONS FEATURE_ID=6785 PEPMASS=161.0234 SCANS=6785 RTINSECONDS=1120.728 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 19 (18 removed due to low quality, 0 removed due to low cosine). 89.0393 1.8E2 105.0312 1.1E2 115.0217 1.5E2 132.0205 8.1E2 133.0266 2.3E3 133.0948 1.8E2 133.1328 1.4E2 133.2267 1.2E2 134.0360 1.2E2 161.0166 2.1E2 END IONS BEGIN IONS FEATURE_ID=6833 PEPMASS=395.0517 SCANS=6833 RTINSECONDS=1127.442 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9944 1.9E3 73.9974 1.2E2 123.0446 1.4E3 123.1480 1.1E2 124.0424 1.8E2 133.0292 2.5E3 133.0892 2.1E2 133.6309 1.4E2 135.0446 3.0E3 135.0743 1.5E2 135.1538 1.6E2 135.2815 2.1E2 151.0414 1.4E2 152.8882 1.5E2 161.0244 1.8E4 161.8457 1.1E2 162.0282 1.7E3 162.0587 1.7E2 162.0922 1.2E2 163.0272 1.0E2 163.9521 1.1E2 179.0352 2.9E3 179.1077 1.3E2 180.0330 5.5E2 180.0429 2.9E2 197.0451 4.3E3 197.0895 1.0E2 198.0506 3.4E2 199.0600 1.4E2 210.9818 1.0E2 223.0214 1.6E2 359.0779 7.5E2 360.0850 3.4E2 590.6196 1.0E2 END IONS BEGIN IONS FEATURE_ID=6870 PEPMASS=359.0766 SCANS=6870 RTINSECONDS=1133.714 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9947 3.8E3 73.0718 2.4E2 77.0407 2.6E2 105.0347 2.5E2 107.0475 3.4E2 109.0295 1.1E2 123.0473 1.0E3 124.0505 4.4E2 132.0181 2.9E2 133.0314 4.4E3 134.0378 6.9E2 135.0467 3.6E3 135.1520 2.0E2 136.0566 3.9E2 161.0261 5.9E3 161.1412 3.7E2 162.0291 2.8E2 162.6757 1.3E2 163.0324 1.6E2 179.0366 3.2E2 197.0456 1.2E2 END IONS BEGIN IONS FEATURE_ID=6873 PEPMASS=719.1637 SCANS=6873 RTINSECONDS=1133.714 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 133.0277 1.3E2 161.0234 2.3E3 162.0258 2.7E2 179.0318 1.8E2 197.0415 5.8E2 198.0568 1.9E2 224.0275 1.8E2 313.0677 1.7E2 359.0809 6.5E3 359.7889 1.0E2 360.0857 1.3E3 361.0885 4.7E2 362.1016 1.4E2 719.1472 1.0E2 END IONS BEGIN IONS FEATURE_ID=6888 PEPMASS=395.0534 SCANS=6888 RTINSECONDS=1138.133 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9922 6.3E2 73.0183 1.9E2 135.0418 7.8E2 161.0220 8.0E3 162.0297 7.7E2 163.0323 1.2E2 179.0326 1.1E3 179.0865 1.1E2 180.0359 2.2E2 197.0442 2.8E3 197.1704 1.1E2 198.0478 3.8E2 231.0253 1.6E2 314.9555 1.0E2 341.1492 2.4E2 357.0677 2.9E2 359.0777 5.8E2 360.0817 1.2E2 END IONS BEGIN IONS FEATURE_ID=6894 PEPMASS=741.1392 SCANS=6894 RTINSECONDS=1138.133 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 134.0358 1.5E2 161.0236 2.5E2 179.0303 1.3E3 180.0317 1.6E2 201.0161 5.6E2 201.0697 1.1E2 219.0278 5.2E2 337.0575 1.1E2 359.0687 3.9E2 381.0569 3.9E3 382.0606 7.0E2 383.0484 2.5E2 384.0412 2.6E2 414.3686 1.3E2 417.0726 1.3E2 579.1064 4.3E2 580.1077 2.0E2 741.1351 2.1E3 741.3905 1.0E2 742.1390 1.1E3 743.1419 1.7E2 744.1204 1.2E2 END IONS BEGIN IONS FEATURE_ID=6895 PEPMASS=742.1421 SCANS=6895 RTINSECONDS=1138.133 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 161.0220 1.1E2 178.0184 1.2E2 179.0359 2.1E2 180.0356 2.8E2 201.0171 2.7E2 203.0140 1.4E2 219.0266 3.1E2 220.0301 3.6E2 338.0598 1.3E2 381.0554 1.1E3 382.0543 6.6E2 382.1105 1.6E2 383.0689 1.5E2 550.1968 1.1E2 579.1021 1.5E2 580.1205 1.3E2 583.0335 1.0E2 583.2215 1.3E2 727.6080 1.1E2 742.1497 1.3E3 743.1440 2.6E2 745.1443 1.6E2 END IONS BEGIN IONS FEATURE_ID=6897 PEPMASS=343.2108 SCANS=6897 RTINSECONDS=1139.17 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0511 1.4E2 87.0385 1.1E2 97.0655 1.5E2 135.0452 1.2E2 153.0830 1.3E2 163.1170 1.1E2 185.1173 1.3E2 201.1109 2.6E2 209.1333 1.2E2 211.1341 4.0E2 229.1441 7.2E2 229.2302 1.0E2 230.1509 2.7E2 230.1979 1.2E2 255.1594 2.1E2 256.1529 1.0E2 257.0815 2.1E2 271.1361 1.1E2 343.2096 1.3E3 344.2134 4.9E2 344.5164 1.1E2 345.2297 1.1E2 END IONS BEGIN IONS FEATURE_ID=6911 PEPMASS=381.0587 SCANS=6911 RTINSECONDS=1142.747 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 122.9395 1.0E2 135.0432 7.7E2 139.0223 2.0E2 161.0248 1.8E2 169.0794 2.6E2 179.0277 9.5E2 201.0166 2.8E2 219.0229 1.3E3 219.0769 2.5E2 220.0358 1.6E2 289.1133 1.0E2 353.0264 1.3E2 357.0143 1.9E2 359.0620 2.8E2 449.0388 1.2E2 END IONS BEGIN IONS FEATURE_ID=6922 PEPMASS=733.1934 SCANS=6922 RTINSECONDS=1146.101 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0131 2.7E2 72.0151 2.7E2 73.0294 1.2E2 113.0235 1.1E2 119.0320 1.8E2 123.0485 1.9E2 161.0359 1.7E2 179.0252 1.3E2 197.0389 1.2E2 198.0445 1.3E2 200.0025 2.5E2 213.0401 1.3E2 217.0464 1.0E2 228.0097 2.5E2 229.0180 1.9E2 241.0595 1.5E2 243.0276 7.6E2 243.0770 1.4E2 244.0348 1.9E2 252.0850 1.5E2 255.0661 1.5E2 265.0765 2.1E2 267.0593 2.2E2 281.0892 1.1E2 282.0973 2.4E2 295.0842 2.5E2 296.1157 1.0E2 297.0367 1.3E2 308.0646 1.5E2 319.0596 2.1E2 321.0406 3.4E2 321.0912 1.1E2 323.0906 3.1E2 324.0800 1.3E2 326.0823 1.2E2 334.0440 1.4E2 335.0582 1.5E2 339.0415 1.2E2 339.1096 1.9E2 341.1054 4.0E2 342.0986 1.3E2 346.8893 1.1E2 349.0650 5.0E2 350.0756 3.0E2 353.1007 3.1E2 354.0607 1.2E2 367.0759 6.9E2 397.1180 2.4E2 409.0999 1.3E2 423.1040 1.1E2 425.9151 1.3E2 468.0955 1.6E2 483.1287 2.2E2 486.0591 1.2E2 498.0904 1.3E2 511.1331 1.9E2 611.2017 1.0E2 612.1694 1.9E2 END IONS BEGIN IONS FEATURE_ID=6923 PEPMASS=769.1704 SCANS=6923 RTINSECONDS=1146.101 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0280 1.3E2 101.0218 2.4E2 127.0445 1.4E2 131.0254 2.1E2 149.0459 2.1E2 155.0277 1.4E2 160.0198 2.1E2 161.0384 1.6E2 177.0393 1.1E2 203.0553 1.4E2 241.0422 2.4E2 243.0267 5.9E2 251.4572 1.1E2 254.5076 2.1E2 280.0634 1.6E2 281.0774 4.0E2 282.0805 3.6E2 283.0992 1.3E2 295.0930 2.3E2 297.1136 3.5E2 298.0365 1.1E2 308.0688 1.1E2 323.0858 7.3E2 336.0637 1.3E2 339.0783 2.0E2 341.0975 8.5E2 342.1148 3.0E2 349.0698 4.7E2 350.0770 1.9E2 351.0418 1.5E2 367.0826 7.3E2 412.5982 1.1E2 413.1215 1.2E2 414.1155 1.4E2 439.0798 1.3E2 453.1145 2.1E2 467.1402 2.6E2 470.1303 1.5E2 483.1224 1.7E2 511.1100 1.1E2 527.1555 1.2E2 629.1711 2.9E2 630.1655 1.5E2 689.2158 4.6E2 690.2191 2.3E2 692.1940 1.6E2 705.1914 1.6E2 733.1814 2.2E2 733.2586 1.0E2 734.1791 1.6E2 END IONS BEGIN IONS FEATURE_ID=6936 PEPMASS=263.1265 SCANS=6936 RTINSECONDS=1145.162 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 119.0858 1.4E2 122.0339 1.4E2 137.0683 1.6E2 149.0549 1.0E2 151.0702 1.2E2 188.0822 4.7E2 201.8281 2.1E2 203.0997 2.1E2 204.1016 1.2E2 406.2770 1.1E2 END IONS BEGIN IONS FEATURE_ID=6938 PEPMASS=417.0354 SCANS=6938 RTINSECONDS=1147.872 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9913 1.4E2 79.0613 2.0E2 98.9998 1.4E2 103.0076 1.2E2 123.0419 2.2E2 133.0273 1.8E2 134.0318 4.8E2 135.0449 2.2E3 135.2004 1.2E2 136.0471 2.3E2 137.0562 1.2E2 157.0231 1.6E2 161.0265 3.6E2 168.0234 1.6E2 171.5125 1.0E2 173.0141 1.0E2 177.0864 1.6E2 179.0305 1.4E3 195.9546 2.0E2 201.0078 2.0E2 203.0644 2.0E2 219.0412 1.1E2 254.0827 1.3E2 283.0760 2.5E2 388.9365 1.3E2 END IONS BEGIN IONS FEATURE_ID=6957 PEPMASS=599.1883 SCANS=6957 RTINSECONDS=1151.266 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9869 1.7E2 116.0703 1.5E2 142.0249 2.6E2 179.0378 1.7E2 181.0487 1.0E2 205.0886 1.0E2 311.1290 1.4E2 315.0997 1.4E2 343.1211 1.0E2 426.0880 1.8E2 453.1377 1.7E2 END IONS BEGIN IONS FEATURE_ID=7015 PEPMASS=493.2277 SCANS=7015 RTINSECONDS=1164.845 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0224 2.3E2 113.0280 1.1E2 131.0330 1.3E2 152.0064 1.3E2 161.0462 1.5E2 171.0005 2.7E2 201.0235 2.8E2 225.1219 1.3E2 272.0874 1.1E2 293.1445 1.2E2 298.9298 1.2E2 315.1756 8.0E2 316.1894 4.4E2 340.9722 1.1E2 353.0775 1.7E2 381.0401 1.1E2 410.9872 1.1E2 447.2221 1.0E3 448.2334 3.5E2 460.2378 1.0E2 495.3126 1.5E2 497.1340 1.2E2 498.0210 1.1E2 END IONS BEGIN IONS FEATURE_ID=7019 PEPMASS=583.2466 SCANS=7019 RTINSECONDS=1166.533 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0105 1.1E2 78.9581 1.7E2 113.0246 3.1E2 117.2697 1.0E2 135.0437 3.7E2 165.0539 1.2E2 191.0577 3.3E2 240.1031 2.0E2 268.1071 1.1E2 272.8660 1.1E2 345.0272 2.3E2 367.2062 1.7E2 378.1208 1.4E2 436.2053 1.7E2 478.1539 1.0E2 559.9422 1.0E2 END IONS BEGIN IONS FEATURE_ID=7022 PEPMASS=483.1994 SCANS=7022 RTINSECONDS=1167.35 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 61.9881 2.5E2 62.0139 1.1E2 83.0476 1.2E2 135.0447 3.9E2 135.0750 1.4E2 147.0388 2.4E2 201.0154 3.1E2 226.9287 1.2E2 249.1024 1.1E2 287.8708 1.6E2 302.9075 1.5E2 945.6548 1.2E2 976.1699 1.4E2 END IONS BEGIN IONS FEATURE_ID=7030 PEPMASS=547.2705 SCANS=7030 RTINSECONDS=1169.533 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0147 5.5E2 73.0281 1.4E2 75.0055 2.0E2 85.0328 2.1E2 89.0242 9.7E2 101.0213 3.1E2 103.0385 1.1E2 108.0466 1.3E2 113.0218 3.8E2 125.0304 2.1E2 129.0203 1.0E2 154.8975 1.4E2 161.0166 2.1E2 170.8814 1.0E2 244.0722 1.1E2 253.9202 1.2E2 281.1165 2.1E2 286.0227 1.1E2 299.0451 1.7E2 351.2091 1.4E2 365.0466 1.0E2 END IONS BEGIN IONS FEATURE_ID=7045 PEPMASS=607.2021 SCANS=7045 RTINSECONDS=1172.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 101.0247 1.3E2 197.0377 1.6E2 277.0461 2.7E2 339.1248 3.8E2 340.1298 1.4E2 341.1348 2.6E2 342.1752 1.8E2 350.8482 1.3E2 471.0323 1.3E2 497.9589 1.0E2 608.1318 1.0E2 609.1539 1.6E2 END IONS BEGIN IONS FEATURE_ID=7059 PEPMASS=597.1735 SCANS=7059 RTINSECONDS=1174.831 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 80.9666 1.0E2 101.0261 1.5E2 122.0295 1.2E2 161.0267 1.3E2 179.0223 1.5E2 210.9525 1.5E2 329.1056 1.3E2 339.1056 1.9E2 453.0241 1.1E2 599.3110 1.2E2 640.0815 1.7E2 END IONS BEGIN IONS FEATURE_ID=7075 PEPMASS=503.0963 SCANS=7075 RTINSECONDS=1177.558 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 18 (0 removed due to low quality, 17 removed due to low cosine). 68.9951 1.6E2 101.0232 1.6E2 119.0533 1.0E2 126.0124 1.8E2 129.0173 1.9E2 135.0415 1.3E3 135.0878 1.9E2 136.0481 1.3E2 136.8016 1.1E2 137.0241 1.1E2 159.8746 1.0E2 164.9175 1.3E2 179.0287 1.2E2 197.0443 1.3E2 202.0514 1.5E2 223.0673 1.1E2 257.0491 1.6E2 265.0339 2.3E2 269.0627 1.3E2 278.0552 1.2E2 279.0652 2.3E2 295.0601 1.3E2 296.0607 1.3E2 308.0265 2.5E2 323.0467 1.0E2 795.8125 1.1E2 END IONS BEGIN IONS FEATURE_ID=7095 PEPMASS=199.0959 SCANS=7095 RTINSECONDS=1182.496 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0144 1.6E2 72.9909 2.2E2 120.9515 1.1E2 156.1051 2.8E2 156.1402 1.1E2 253.0282 1.2E2 811.7418 1.6E2 END IONS BEGIN IONS FEATURE_ID=7108 PEPMASS=599.1831 SCANS=7108 RTINSECONDS=1187.127 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0449 1.3E2 201.3200 1.5E2 473.0873 1.4E2 539.2264 1.0E2 573.0945 1.3E2 599.1846 1.8E2 601.8388 1.1E2 END IONS BEGIN IONS FEATURE_ID=7123 PEPMASS=609.2159 SCANS=7123 RTINSECONDS=1189.636 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0223 2.5E2 127.0423 1.2E2 137.0221 1.1E2 199.1273 2.0E2 252.0383 2.2E2 300.0266 1.8E2 321.0388 1.1E2 341.1318 1.5E2 END IONS BEGIN IONS FEATURE_ID=7127 PEPMASS=527.2533 SCANS=7127 RTINSECONDS=1191.222 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 128.0452 1.2E2 132.0383 1.1E2 134.0439 1.6E2 141.0234 2.1E2 179.1465 1.0E2 201.1097 1.1E2 240.9290 1.9E2 273.0832 1.2E2 297.0806 1.0E2 END IONS BEGIN IONS FEATURE_ID=7128 PEPMASS=569.1755 SCANS=7128 RTINSECONDS=1191.222 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0122 1.3E2 135.0437 1.4E2 146.4281 1.3E2 152.0319 1.9E2 161.0477 1.7E2 174.9522 3.4E2 179.0355 2.1E2 270.0908 1.4E2 305.1749 1.0E2 345.1106 1.5E2 345.5990 1.3E2 425.1314 1.3E2 549.1663 1.5E2 END IONS BEGIN IONS FEATURE_ID=7134 PEPMASS=365.0790 SCANS=7134 RTINSECONDS=1193.593 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0090 1.1E2 97.0605 1.4E2 120.0536 1.5E2 164.9274 1.3E2 180.0287 1.1E2 186.0613 1.4E2 236.0974 1.2E2 265.0490 2.7E2 269.0554 1.0E2 501.6547 1.9E2 502.9738 1.8E2 615.8208 1.7E2 END IONS BEGIN IONS FEATURE_ID=7157 PEPMASS=983.2809 SCANS=7157 RTINSECONDS=1201.808 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 119.0477 1.1E2 144.0444 1.5E2 145.0283 6.8E2 146.0221 1.0E2 163.0398 8.8E2 193.0423 1.2E2 235.0654 1.3E2 243.0312 1.8E2 265.0660 2.6E2 307.0837 1.8E2 323.1093 1.6E2 335.0414 1.4E2 339.0915 1.7E2 341.1072 3.4E2 342.0977 1.9E2 349.0637 3.2E2 349.1227 2.3E2 366.0652 1.3E2 367.0766 9.3E2 368.0732 2.6E2 369.1036 1.3E2 387.1001 1.0E2 391.1122 1.2E2 406.1413 1.3E2 435.1217 2.0E2 439.0977 1.0E2 469.1378 1.3E3 470.1436 4.8E2 471.1367 2.4E2 477.0014 1.4E2 511.1187 5.5E2 523.0538 1.2E2 585.9608 1.4E2 609.1395 1.0E2 629.1810 1.4E2 647.1988 1.3E2 714.1559 2.1E2 741.0911 1.5E2 793.2396 1.7E3 793.4393 1.2E2 794.2467 4.3E2 795.2236 1.5E2 796.0353 1.3E2 796.2340 2.3E2 837.2268 1.2E3 838.2260 6.5E2 839.2321 4.9E2 939.2883 1.3E2 954.2997 1.0E2 983.2724 5.5E2 984.2872 3.6E2 985.3123 2.1E2 END IONS BEGIN IONS FEATURE_ID=7177 PEPMASS=651.1564 SCANS=7177 RTINSECONDS=1204.568 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 5 (0 removed due to low quality, 0 removed due to low cosine). 61.5971 1.2E2 67.0176 1.5E2 72.9937 1.2E2 89.0210 1.7E2 89.0306 1.3E2 101.0213 1.5E2 131.0309 1.5E2 135.0430 1.7E2 141.0153 1.8E2 150.9930 1.0E2 166.0248 1.4E2 169.0685 1.0E2 178.9874 1.1E2 184.0410 1.3E2 187.0381 1.3E2 189.0143 1.2E2 192.0058 1.3E2 195.9054 1.8E2 213.0480 1.5E2 213.0544 3.2E2 239.0422 1.1E2 240.0321 2.6E2 241.0429 2.3E2 241.0525 4.0E2 255.0190 2.6E2 255.0374 2.1E2 268.0316 1.7E2 271.0152 2.8E2 277.0929 1.0E2 279.0650 2.0E2 280.9998 1.3E2 281.0614 1.0E2 283.0168 7.9E2 283.0293 3.1E2 284.0281 1.8E3 284.0782 1.1E2 285.0396 2.3E4 285.1352 1.3E2 285.1941 1.8E2 285.7286 1.1E2 286.0271 1.5E2 286.0435 3.9E3 286.4276 1.5E2 287.0483 8.5E2 300.0250 1.1E3 301.0320 2.8E2 335.0212 1.1E2 366.0726 1.4E2 388.2178 1.0E2 429.0735 6.2E2 429.0890 1.0E3 430.0854 3.1E2 439.1467 1.0E2 449.0986 1.6E2 522.2169 2.1E2 574.1301 1.1E2 584.3504 1.6E2 651.1554 8.0E3 651.3464 1.9E2 652.1619 2.9E3 652.3235 1.1E2 652.3967 3.1E2 652.4104 3.0E2 652.4681 1.2E2 653.0148 1.1E2 653.1519 1.1E3 653.3602 1.4E2 654.1599 3.7E2 654.1952 2.0E2 654.2396 1.0E2 677.0271 1.0E2 677.2182 1.1E2 END IONS BEGIN IONS FEATURE_ID=7179 PEPMASS=709.1178 SCANS=7179 RTINSECONDS=1204.568 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0304 2.3E2 99.0029 2.6E2 135.0460 1.1E2 162.0313 2.1E2 177.0206 1.1E2 191.0568 3.1E2 215.0542 2.6E2 223.0583 1.6E2 226.9789 1.1E2 233.0880 1.1E2 259.0760 2.0E2 267.0603 1.0E2 277.0497 1.2E2 282.0681 1.5E2 283.0266 1.8E2 285.0388 3.0E3 285.1890 1.8E2 285.4225 1.1E2 285.5189 1.1E2 286.0415 5.9E2 286.1163 1.1E2 286.3535 1.0E2 287.3250 1.0E2 289.0588 1.2E2 307.0208 1.1E2 311.0027 2.1E2 313.0424 1.7E2 326.0010 1.2E2 337.0314 2.1E2 339.0416 1.2E2 369.0376 1.7E2 384.1137 1.5E2 429.0910 2.8E2 437.5388 1.3E2 469.0721 3.7E2 470.0929 2.3E2 472.0663 1.1E2 479.1643 1.7E2 591.1357 1.4E2 605.3549 1.1E2 651.1453 3.1E2 652.1707 1.6E2 END IONS BEGIN IONS FEATURE_ID=7191 PEPMASS=607.2031 SCANS=7191 RTINSECONDS=1207.044 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 179.0270 2.4E2 291.8306 1.4E2 296.0948 1.2E2 339.1196 3.9E2 339.1766 1.2E2 340.1219 2.1E2 361.1350 1.1E2 433.1761 1.2E2 610.6801 1.0E2 END IONS BEGIN IONS FEATURE_ID=7192 PEPMASS=652.1597 SCANS=7192 RTINSECONDS=1207.044 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0274 2.7E2 74.0364 1.2E2 161.0225 1.2E2 164.9716 1.9E2 172.0439 1.1E2 185.0576 1.5E2 186.0529 1.3E2 201.0640 1.7E2 214.0610 1.6E2 216.0292 2.1E2 242.0388 1.5E2 274.0368 1.1E2 283.0138 1.4E2 284.0238 3.7E2 285.0375 2.8E3 286.0408 3.0E3 287.0439 6.0E2 301.0138 1.4E2 307.0632 1.6E2 313.2461 2.1E2 330.0572 1.2E2 429.0758 3.2E2 430.0754 1.5E2 431.0813 1.6E2 611.1379 1.4E2 END IONS BEGIN IONS FEATURE_ID=7196 PEPMASS=463.0886 SCANS=7196 RTINSECONDS=1208.201 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 71.0191 1.2E2 91.0548 1.1E2 93.0305 1.1E2 96.9564 1.7E2 107.0073 1.8E2 108.0139 1.1E2 111.0083 1.5E2 117.0277 1.6E2 130.0858 1.0E2 135.0425 3.4E2 149.0242 1.7E2 150.0250 1.7E2 150.9991 4.2E2 151.0328 3.2E2 151.9992 2.7E2 152.0157 1.1E2 159.0376 1.7E2 171.0410 2.3E2 172.9728 1.5E2 192.0617 1.9E2 227.0270 1.6E2 241.0581 1.1E2 284.0528 8.9E2 284.1070 1.3E2 301.0312 6.2E3 301.1831 1.8E2 301.1940 1.1E2 302.0330 1.1E3 303.0274 1.4E2 323.0767 1.2E2 325.0523 1.2E2 337.1614 1.1E2 338.0685 1.4E2 344.1594 1.6E2 362.0774 1.2E2 385.0576 1.3E2 388.0998 1.5E2 398.1097 1.1E2 414.1480 1.3E2 421.1511 1.2E2 463.0796 2.8E2 464.0815 2.9E2 END IONS BEGIN IONS FEATURE_ID=7199 PEPMASS=597.1748 SCANS=7199 RTINSECONDS=1209.334 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 151.0753 1.3E2 179.0349 1.1E2 197.0410 1.1E2 215.1049 1.3E2 272.0662 1.2E2 339.1017 2.0E2 353.0576 1.1E2 379.0674 1.4E2 417.0753 1.1E2 533.2264 1.2E2 END IONS BEGIN IONS FEATURE_ID=7216 PEPMASS=347.2417 SCANS=7216 RTINSECONDS=1215.553 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 113.0967 2.4E2 127.0718 2.8E2 130.9629 3.2E2 141.0886 1.1E2 143.1130 1.6E2 151.0785 1.9E2 165.0924 1.2E2 171.0947 1.6E2 188.0705 1.2E2 201.1071 1.3E2 297.2033 1.7E2 301.2016 1.3E2 347.2436 3.7E2 347.7257 1.0E2 END IONS BEGIN IONS FEATURE_ID=7225 PEPMASS=731.1600 SCANS=7225 RTINSECONDS=1216.087 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 117.2591 1.4E2 135.0413 4.0E2 150.0303 1.1E2 175.0287 2.2E2 179.0364 2.2E2 187.0393 1.1E2 193.0130 1.9E2 195.0556 1.8E2 197.0409 2.4E2 201.1848 1.8E2 209.0281 1.0E2 220.0627 1.4E2 223.1340 1.7E2 229.0088 1.6E2 243.0408 2.5E2 267.0664 1.3E2 268.0786 1.0E2 283.1024 2.8E2 295.0607 2.2E2 296.0659 2.3E2 297.0736 4.2E2 308.0462 1.0E2 309.0843 1.3E2 325.0588 2.3E2 331.0692 1.4E2 335.1021 1.0E2 337.0326 1.1E2 352.0586 1.8E2 353.0634 3.4E2 355.0807 2.2E2 358.9728 1.8E2 367.0841 9.0E2 368.0712 2.0E2 392.0205 1.1E2 403.1059 2.6E2 424.1126 1.4E2 427.1097 1.0E2 438.0772 2.8E2 489.1116 2.8E2 679.0701 1.4E2 END IONS BEGIN IONS FEATURE_ID=7230 PEPMASS=397.1132 SCANS=7230 RTINSECONDS=1216.32 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0129 1.3E2 73.9943 1.6E2 96.0440 1.1E2 108.0203 1.2E3 108.0524 2.7E2 109.0304 5.6E2 123.0421 6.0E2 123.0712 1.4E2 135.0428 4.6E2 136.0368 1.5E2 152.0062 6.9E2 152.9882 1.2E2 154.0252 1.5E2 181.0279 1.4E2 191.1014 1.2E2 224.9752 1.2E2 225.0170 1.2E2 269.0830 1.3E2 END IONS BEGIN IONS FEATURE_ID=7253 PEPMASS=569.1758 SCANS=7253 RTINSECONDS=1218.569 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9889 1.3E2 134.9314 1.3E2 143.0390 2.0E2 171.0586 1.1E2 189.0217 1.0E2 195.0473 2.1E2 299.0969 1.3E2 307.0191 1.1E2 307.0872 1.8E2 326.1102 1.3E2 331.0208 1.2E2 397.1364 1.2E2 END IONS BEGIN IONS FEATURE_ID=7267 PEPMASS=397.1123 SCANS=7267 RTINSECONDS=1221.564 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0124 1.7E2 72.9958 1.8E2 79.9572 1.4E2 81.0321 1.8E2 99.0517 1.4E2 108.0229 1.7E3 108.1165 1.4E2 109.0290 1.1E3 110.0306 1.2E2 121.0287 1.1E2 128.8988 1.2E2 133.0352 1.4E2 137.7105 1.6E2 148.0473 1.5E2 152.0094 5.3E2 152.9975 1.4E2 159.0365 1.8E2 161.0194 1.2E2 196.0931 1.5E2 364.1282 1.3E2 END IONS BEGIN IONS FEATURE_ID=7287 PEPMASS=311.0908 SCANS=7287 RTINSECONDS=1226.826 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 86.9745 1.2E2 100.0738 1.1E2 135.0395 2.4E2 151.0347 3.0E2 180.0604 1.0E2 193.0609 2.4E2 195.0823 1.4E2 197.0571 3.4E2 208.0381 1.1E2 209.0573 3.6E2 210.0328 1.4E2 212.2381 1.0E2 213.0384 1.6E2 224.0430 3.0E2 225.0568 2.0E2 237.0554 1.2E2 238.0148 1.1E2 252.0393 3.3E2 253.0447 7.4E2 255.0426 1.4E2 265.0449 2.9E2 281.0405 1.1E2 END IONS BEGIN IONS FEATURE_ID=7292 PEPMASS=879.1984 SCANS=7292 RTINSECONDS=1227.833 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 107.0496 1.1E2 150.0224 2.0E2 179.0507 1.1E2 185.0228 2.2E2 197.0419 2.8E2 276.0389 1.9E2 277.0388 1.1E2 280.0314 1.8E2 294.0379 2.1E2 295.0641 1.4E2 304.1178 1.1E2 321.0382 7.8E2 322.0415 4.8E2 339.0470 1.0E3 339.1960 1.1E2 457.1096 7.9E2 460.4387 1.1E2 483.0903 1.4E3 483.2088 1.1E2 484.0958 6.5E2 485.0881 1.8E2 501.1012 8.6E2 503.1131 1.1E2 519.0872 2.3E2 520.1015 1.3E2 525.0726 1.7E2 598.1290 1.0E2 641.0331 1.0E2 663.0380 1.6E2 665.0660 1.4E2 681.1496 6.2E2 682.1295 1.4E2 699.1638 1.6E2 721.0977 1.2E2 753.0181 1.4E2 838.2178 1.2E2 846.0797 1.0E2 923.9378 1.1E2 END IONS BEGIN IONS FEATURE_ID=7303 PEPMASS=365.0780 SCANS=7303 RTINSECONDS=1229.31 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 98.0238 1.1E2 130.9635 1.7E2 135.0423 1.2E2 136.0444 2.1E2 219.0463 1.3E2 241.0471 1.1E2 251.0390 1.2E2 253.0232 1.7E2 265.0530 1.8E2 281.0496 1.5E2 END IONS BEGIN IONS FEATURE_ID=7305 PEPMASS=983.2819 SCANS=7305 RTINSECONDS=1230.215 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 101.0204 1.8E2 119.0531 2.7E2 145.0271 2.1E3 161.0185 1.5E2 163.0375 6.3E2 227.9959 1.3E2 235.0573 3.1E2 243.0320 2.1E2 265.0791 2.0E2 283.0881 1.5E2 321.0356 1.2E2 323.0871 1.7E2 327.0938 1.6E2 335.0581 1.3E2 339.0891 2.1E2 341.0987 1.3E2 341.1476 1.4E2 349.0627 3.8E2 352.0402 1.0E2 365.0589 2.1E2 366.0771 1.4E2 367.0817 1.4E3 367.1529 2.3E2 368.0819 5.1E2 379.1167 1.6E2 413.1306 1.2E2 421.1048 1.8E2 439.0992 1.1E2 439.1706 1.2E2 441.0845 1.7E2 469.1300 1.5E3 469.2358 1.5E2 470.1495 1.4E2 497.1112 1.8E2 511.1098 3.6E2 512.1309 1.1E2 629.2303 1.1E2 647.2149 2.5E2 674.1621 1.5E2 785.4440 1.1E2 793.2344 1.7E3 794.2372 1.5E3 794.5023 1.4E2 795.2253 3.2E2 837.2299 1.2E3 837.4149 1.0E2 838.2193 5.6E2 839.2326 3.7E2 839.7368 1.1E2 955.2848 1.9E2 983.2752 7.4E2 984.2892 3.8E2 END IONS BEGIN IONS FEATURE_ID=7317 PEPMASS=537.2830 SCANS=7317 RTINSECONDS=1235.026 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 109.0265 1.9E2 179.0306 1.1E2 186.0282 2.0E2 191.0565 1.1E2 265.0518 1.9E2 337.1184 2.0E2 353.0260 1.9E2 359.0787 1.3E2 363.1564 1.8E2 370.0639 1.0E2 475.0776 1.3E2 493.0534 1.3E2 537.2898 4.8E2 537.7839 1.3E2 END IONS BEGIN IONS FEATURE_ID=7337 PEPMASS=609.2143 SCANS=7337 RTINSECONDS=1239.071 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0273 1.9E2 90.0278 1.2E2 95.0095 1.0E2 112.9806 1.2E2 209.0971 1.0E2 216.3759 1.0E2 227.8929 2.4E2 301.0236 2.1E2 301.0570 1.1E2 305.1750 1.3E2 371.0820 1.0E2 395.0641 1.5E2 421.1201 1.8E2 476.9032 1.1E2 END IONS BEGIN IONS FEATURE_ID=7363 PEPMASS=535.1431 SCANS=7363 RTINSECONDS=1248.676 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 61.9857 3.3E2 135.0416 5.7E2 179.0336 7.2E2 196.1076 1.4E2 211.0695 1.6E2 268.0788 1.5E2 280.0968 1.4E2 316.1266 2.6E2 339.0452 4.2E2 373.0929 2.5E3 373.2028 2.5E2 373.2965 1.5E2 374.0877 6.6E2 374.1614 1.1E2 391.0751 2.0E2 429.2178 1.5E2 457.1673 1.5E2 466.1583 1.3E2 470.2202 1.3E2 518.2133 1.1E2 535.1295 5.1E2 535.2870 2.4E2 536.1480 2.3E2 536.2719 1.1E2 537.2351 3.9E2 537.3185 3.6E2 538.2080 1.3E2 538.3156 1.5E2 687.4620 1.9E2 END IONS BEGIN IONS FEATURE_ID=7375 PEPMASS=343.0826 SCANS=7375 RTINSECONDS=1251.996 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 99.0832 1.5E2 108.0208 4.9E2 109.0300 2.2E2 121.0280 1.0E2 131.0465 1.8E2 133.0264 1.7E2 145.0331 2.8E2 147.0444 5.7E2 147.0860 1.0E2 148.0505 1.4E2 156.0539 2.2E2 161.0206 2.3E2 174.0316 6.3E2 175.0386 8.5E2 176.0610 1.2E2 180.0503 1.1E2 196.0503 2.3E2 238.0684 1.3E2 265.0450 2.2E2 END IONS BEGIN IONS FEATURE_ID=7377 PEPMASS=397.1120 SCANS=7377 RTINSECONDS=1252.709 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9905 1.8E2 78.9582 1.2E2 108.0208 1.1E3 109.0274 1.0E3 152.0093 8.6E2 153.0142 3.5E2 242.0083 2.4E2 258.9931 1.1E2 267.0245 1.2E2 269.0022 1.2E2 331.1145 1.7E2 END IONS BEGIN IONS FEATURE_ID=7379 PEPMASS=731.1597 SCANS=7379 RTINSECONDS=1252.353 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 109.0337 2.3E2 135.0428 3.1E2 141.1061 1.5E2 157.0235 1.2E2 179.0301 2.5E2 197.0442 2.9E2 229.0081 1.5E2 249.0440 2.1E2 253.1067 1.2E2 266.0541 2.9E2 271.0877 1.2E2 281.0787 2.9E2 283.0847 2.2E2 309.0781 3.6E2 311.0389 1.5E2 320.0685 1.5E2 323.0383 1.2E2 323.0869 1.4E2 325.0609 1.4E2 334.0434 1.2E2 335.0874 1.7E2 336.0370 1.5E2 339.0475 2.3E2 350.0421 3.6E2 351.0830 1.5E2 352.0450 1.2E2 353.0639 1.4E3 365.0638 4.9E2 366.0574 3.5E2 367.0806 1.1E3 368.0791 3.1E2 489.1161 5.0E2 489.1778 2.6E2 490.1326 2.0E2 679.9266 1.2E2 930.0617 1.1E2 END IONS BEGIN IONS FEATURE_ID=7389 PEPMASS=559.3173 SCANS=7389 RTINSECONDS=1254.472 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0235 1.4E2 135.8939 1.5E2 159.0425 1.3E2 187.0950 1.1E2 191.0536 1.3E2 216.9284 1.7E2 225.7805 1.8E2 233.0151 1.7E2 234.0378 1.5E2 235.0472 2.0E2 253.0866 1.9E2 263.0980 1.0E2 269.0336 1.3E2 285.0377 1.2E2 END IONS BEGIN IONS FEATURE_ID=7400 PEPMASS=557.3025 SCANS=7400 RTINSECONDS=1257.518 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9875 1.6E2 69.2040 1.2E2 328.2172 1.2E2 377.1516 1.0E2 396.1125 2.0E2 423.1585 1.0E2 424.8214 1.7E2 468.5975 1.1E2 469.2176 1.2E2 483.2202 1.5E2 513.0947 1.1E2 521.5994 1.3E2 523.3464 1.2E2 524.3231 2.0E2 557.3024 4.2E2 558.3008 4.6E2 559.3160 1.5E3 559.4574 1.1E2 560.3189 4.6E2 561.3165 3.8E2 985.7789 1.1E2 END IONS BEGIN IONS FEATURE_ID=7408 PEPMASS=681.1680 SCANS=7408 RTINSECONDS=1259.086 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 65.0010 1.5E2 82.5804 1.1E2 93.0353 1.3E2 108.0199 1.1E2 109.9991 2.0E2 110.0053 1.5E2 113.2046 1.2E2 161.0231 1.7E2 163.0409 1.1E2 165.0190 1.5E2 165.0494 1.4E2 179.0377 1.1E2 185.0246 1.6E2 191.0517 1.2E2 197.0447 2.8E2 266.0699 1.5E2 271.0162 1.1E2 279.0334 1.7E2 281.0671 1.0E2 283.0592 1.1E2 285.0397 1.0E2 298.0070 3.3E2 299.0126 3.4E2 299.0190 5.4E2 299.9419 1.0E2 300.0263 6.4E3 300.1145 1.8E2 300.1306 1.2E2 300.1794 3.0E2 300.5038 1.2E2 301.0202 1.9E2 301.0321 3.7E2 313.0414 1.1E2 313.0656 1.6E2 314.0346 4.5E2 314.0466 3.7E2 314.0584 2.0E2 315.0491 1.4E4 315.2105 1.9E2 315.2350 1.2E2 315.2727 1.3E2 316.0523 3.3E3 316.1024 2.1E2 317.0479 1.7E2 317.0579 4.0E2 320.0264 1.6E2 329.0405 1.0E2 341.1785 1.2E2 351.2114 1.4E2 357.0267 1.4E2 381.0496 1.4E2 402.2581 1.2E2 413.0629 1.1E2 444.0077 1.3E2 459.0893 2.8E2 477.0859 2.3E2 562.1046 1.4E2 570.6973 1.0E2 624.1489 1.0E2 639.1525 2.5E2 640.1966 1.0E2 646.3322 1.2E2 654.2322 1.2E2 681.1431 2.9E2 681.1662 2.6E3 681.4176 1.7E2 682.1705 9.8E2 682.3473 2.6E2 683.1756 3.2E2 683.4085 1.8E2 683.5175 1.6E2 684.3464 1.2E2 975.5456 1.2E2 END IONS BEGIN IONS FEATURE_ID=7411 PEPMASS=489.1000 SCANS=7411 RTINSECONDS=1260.326 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 95.0783 2.0E2 108.0211 1.4E2 109.0314 8.5E2 130.9659 1.0E2 135.0438 2.2E2 142.9399 1.6E2 151.0364 2.7E2 159.0414 1.9E2 179.0368 1.6E2 185.0234 9.1E2 185.0872 1.2E2 187.0401 1.1E2 197.0438 2.3E2 197.1163 1.0E2 211.0359 2.1E2 216.0353 1.3E2 227.0344 5.5E2 228.0376 2.6E2 229.0411 1.9E2 230.0481 1.3E2 247.0287 1.3E2 248.0378 1.9E2 253.0484 1.4E2 255.0274 2.4E3 255.1162 1.4E2 255.1761 1.3E2 256.0256 5.8E2 257.0410 3.8E2 263.0261 1.9E2 264.0715 1.7E2 265.0434 1.8E2 266.0490 1.2E2 267.0580 3.6E2 276.0407 1.5E2 280.0375 3.3E2 284.0302 1.9E3 284.1300 1.3E2 285.0361 7.5E2 285.0816 2.0E2 293.0455 1.5E2 297.0357 1.7E2 304.0510 1.5E2 311.0358 1.5E2 330.8560 1.1E2 392.0064 1.3E2 915.2225 1.2E2 969.0049 1.2E2 END IONS BEGIN IONS FEATURE_ID=7423 PEPMASS=345.2245 SCANS=7423 RTINSECONDS=1263.195 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0305 1.7E2 94.9217 1.2E2 113.0911 1.3E2 123.0763 1.4E2 127.1094 2.6E2 131.0770 1.8E2 201.1125 1.6E2 204.1322 1.6E2 END IONS BEGIN IONS FEATURE_ID=7443 PEPMASS=513.2070 SCANS=7443 RTINSECONDS=1265.787 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0508 1.1E2 85.0280 1.2E2 93.5147 1.1E2 99.0046 1.8E2 122.0321 1.0E2 149.0229 1.2E2 157.5803 1.0E2 267.0790 1.0E2 275.0830 1.4E2 318.1871 1.4E2 338.5712 1.0E2 593.9358 1.3E2 END IONS BEGIN IONS FEATURE_ID=7445 PEPMASS=525.2425 SCANS=7445 RTINSECONDS=1265.787 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 70.2815 1.1E2 101.0263 1.6E2 107.0868 1.6E2 132.0197 1.3E2 135.0467 1.6E2 167.1054 1.9E2 211.1327 1.5E2 212.0379 1.4E2 219.1319 1.5E2 220.0265 2.1E2 327.2069 2.3E2 382.0791 1.3E2 459.5703 2.2E2 END IONS BEGIN IONS FEATURE_ID=7457 PEPMASS=493.1139 SCANS=7457 RTINSECONDS=1268.274 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 72.9931 7.0E2 73.0140 1.0E2 85.0298 1.1E2 108.0205 3.1E2 109.0293 3.4E3 110.0342 4.1E2 121.0258 1.5E2 123.0744 1.5E2 129.0334 1.6E2 135.0455 5.7E2 137.0586 2.0E2 146.0259 4.8E2 159.0444 8.9E2 173.0257 4.5E2 179.0335 7.5E2 183.0046 1.1E2 185.0218 2.9E3 186.0317 5.1E2 187.0315 3.7E2 187.1018 2.1E2 195.0522 1.2E2 197.0416 4.7E2 197.0745 1.3E2 204.0295 2.0E2 204.8279 1.9E2 221.0561 1.2E2 224.0501 1.4E2 241.0795 1.3E2 248.0468 1.4E2 249.0576 1.1E2 252.0415 1.7E2 259.9863 1.1E2 265.0352 1.1E2 268.0754 1.3E2 277.0587 2.3E2 278.0534 4.1E2 279.0548 1.2E2 293.0441 4.0E2 295.0597 1.7E2 295.0708 3.7E2 305.0742 1.1E2 357.0551 1.7E2 END IONS BEGIN IONS FEATURE_ID=7465 PEPMASS=477.2298 SCANS=7465 RTINSECONDS=1268.347 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0115 1.7E2 73.0254 3.2E2 85.0301 1.0E2 89.0241 3.9E2 101.0240 3.7E2 112.9877 3.8E2 113.0209 1.3E2 119.0318 1.4E2 162.0502 2.6E2 175.0212 1.3E2 208.9487 2.2E2 214.9941 1.4E2 221.0609 3.8E2 239.1298 1.1E2 268.1201 1.0E2 277.0997 1.9E2 308.1209 1.6E2 311.1395 1.0E2 313.0509 1.2E2 323.0420 2.0E2 329.1820 1.1E2 335.2043 2.7E2 340.4964 2.2E2 343.1983 3.0E2 365.1776 1.7E2 366.1825 1.1E2 385.1411 2.1E2 387.1182 1.0E2 477.0974 1.7E2 477.2314 2.0E2 478.1746 1.1E2 480.2223 1.6E2 END IONS BEGIN IONS FEATURE_ID=7472 PEPMASS=535.0902 SCANS=7472 RTINSECONDS=1270.667 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9935 7.8E2 109.0266 1.5E3 109.1236 1.1E2 111.0398 1.3E2 123.0493 1.4E2 126.0557 1.7E2 129.0473 1.2E2 133.0289 2.9E2 135.0501 2.3E2 154.0575 1.8E2 158.0327 2.1E2 159.0482 2.6E2 161.0200 2.5E2 179.0333 2.8E2 180.0335 1.4E2 185.0228 6.4E2 197.0442 1.6E2 205.0697 1.1E2 214.1134 2.1E2 221.0642 1.1E2 223.0371 1.2E2 236.0567 1.6E2 248.0462 2.2E2 249.0501 1.5E2 265.0529 1.3E2 267.0603 1.6E2 293.0470 1.3E3 294.0465 2.7E2 295.0580 1.3E2 339.0501 1.0E2 362.0323 1.0E2 END IONS BEGIN IONS FEATURE_ID=7473 PEPMASS=559.0862 SCANS=7473 RTINSECONDS=1270.667 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 74.0200 2.4E2 93.0350 2.6E2 109.0313 1.8E2 123.0413 1.1E2 125.0267 1.3E2 146.0360 3.6E2 147.0419 4.5E2 151.0317 1.0E2 159.0443 6.2E2 160.0497 1.8E2 165.0178 1.8E2 173.0327 2.0E2 179.0325 1.3E2 191.0476 1.2E2 219.0234 1.3E2 225.0104 2.1E2 232.0487 1.2E2 233.0526 1.0E2 269.0805 2.7E2 291.0662 1.7E3 292.0580 3.5E2 293.0663 2.5E2 295.0587 1.1E2 301.0674 2.6E2 337.0314 1.2E2 357.1203 1.3E2 382.0117 1.1E2 END IONS BEGIN IONS FEATURE_ID=7502 PEPMASS=719.1603 SCANS=7502 RTINSECONDS=1275.275 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 115.0048 2.4E2 135.0424 5.0E2 135.0822 1.2E2 151.0372 2.1E2 162.0258 1.7E2 179.0342 2.7E2 183.9556 2.0E2 197.0462 7.0E2 198.0249 1.8E2 216.0437 1.0E2 219.0288 2.7E2 220.0524 1.0E2 231.0288 1.5E2 240.0644 2.0E2 242.0593 2.0E2 243.0657 4.1E2 244.0351 1.2E2 254.0544 1.6E2 255.1020 1.1E2 267.0652 2.7E2 269.0844 1.1E2 271.0971 6.9E2 272.1005 1.7E2 279.0677 3.6E2 281.0440 1.8E2 285.0614 1.5E2 295.0547 3.4E2 296.0673 1.4E2 297.0780 1.3E3 298.0824 3.2E2 299.0229 1.1E2 299.0810 1.3E2 300.0270 2.0E2 313.0670 3.0E2 315.0522 1.5E3 323.0659 2.7E2 335.0444 1.3E2 341.0708 4.1E2 359.0763 2.7E2 681.1621 1.0E2 END IONS BEGIN IONS FEATURE_ID=7520 PEPMASS=559.0822 SCANS=7520 RTINSECONDS=1284.73 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.1093 1.1E2 93.0386 1.3E2 102.9523 1.3E2 109.0301 9.8E2 110.0348 2.3E2 135.0363 2.6E2 147.0407 7.3E2 159.0463 6.2E2 173.0197 3.7E2 185.0142 1.8E2 219.0208 1.0E2 225.0108 1.0E2 233.0869 1.2E2 238.8971 2.7E2 249.0096 1.2E2 257.0898 1.5E2 262.1206 2.0E2 267.0586 1.5E2 268.0688 1.8E2 291.0627 1.9E3 291.1467 1.9E2 291.8453 1.6E2 292.0675 4.4E2 295.0581 2.3E2 296.0665 2.5E2 335.0515 1.2E2 353.9940 1.1E2 END IONS BEGIN IONS FEATURE_ID=7526 PEPMASS=483.2002 SCANS=7526 RTINSECONDS=1287.884 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 109.0328 1.2E2 148.9988 1.1E2 160.0445 1.3E2 164.0459 1.7E2 193.0353 1.7E2 266.0484 1.0E2 285.0311 2.4E2 295.0024 1.1E2 END IONS BEGIN IONS FEATURE_ID=7542 PEPMASS=717.1474 SCANS=7542 RTINSECONDS=1292.962 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0163 1.2E2 109.0298 3.1E2 123.0451 1.1E2 133.0275 1.1E2 135.0524 1.2E2 161.0341 2.5E2 171.0456 1.2E2 179.0321 2.7E2 197.0460 2.0E2 203.0302 5.4E2 215.0323 2.2E2 226.9916 1.2E2 229.0101 9.2E2 230.0169 3.9E2 241.0510 3.3E2 242.0616 1.4E2 243.0330 1.2E3 244.0337 1.0E2 245.0282 1.4E2 254.0878 1.2E2 266.0654 1.3E2 267.0644 5.9E2 268.0758 1.0E2 269.0808 5.2E2 277.0449 2.2E2 278.0534 3.4E2 291.0634 2.0E2 293.0492 1.4E2 295.0623 1.2E3 296.0545 2.3E2 297.0763 6.9E2 309.0780 3.5E2 310.0699 1.2E2 314.0734 1.1E2 321.0426 1.0E3 321.1181 1.5E2 322.0450 5.5E2 339.0491 1.3E3 339.1646 1.2E2 340.0544 5.9E2 342.0817 1.7E2 353.0673 5.5E2 354.0741 3.1E2 359.0608 1.6E2 365.0691 5.3E2 366.0584 1.3E2 367.0637 1.5E2 431.1106 3.4E2 475.1046 9.0E2 476.1036 1.1E2 962.5005 1.7E2 END IONS BEGIN IONS FEATURE_ID=7554 PEPMASS=295.0611 SCANS=7554 RTINSECONDS=1300.015 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.0157 1.4E2 91.0184 1.5E2 101.0243 1.4E2 108.0239 2.8E2 109.0313 7.7E2 121.0272 1.4E2 129.0407 1.4E2 158.0330 1.3E2 185.0198 3.1E2 218.5956 1.1E2 221.6632 1.0E2 225.0479 1.2E2 END IONS BEGIN IONS FEATURE_ID=7561 PEPMASS=491.0995 SCANS=7561 RTINSECONDS=1302.298 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0104 3.1E2 72.9922 4.1E3 73.9994 1.0E2 74.3672 1.2E2 79.0540 1.5E2 101.0301 1.8E2 107.0092 2.5E2 108.0233 2.9E2 109.0288 2.2E4 109.5910 1.4E2 109.6801 1.2E2 109.9153 1.0E2 110.0330 1.2E3 110.0668 2.7E2 117.0293 2.9E2 121.0272 3.3E2 123.0450 2.2E3 124.0459 2.6E2 125.0152 1.6E2 129.0326 1.2E3 134.0323 1.6E2 135.0027 1.6E2 135.0447 6.2E3 136.0503 2.5E2 137.0208 3.5E2 141.0358 2.4E2 145.0260 6.5E2 145.0677 1.1E2 146.0358 1.1E2 147.0442 1.2E2 148.0433 2.1E2 149.0341 2.1E2 157.0275 2.9E3 157.1306 1.9E2 158.0320 8.7E2 159.0434 3.9E3 159.1101 2.5E2 159.2552 1.1E2 160.0461 5.4E2 161.0271 1.8E2 165.0734 1.9E2 171.0129 1.3E2 173.0218 3.9E3 173.1419 2.3E2 173.2250 1.1E2 174.0307 6.0E2 175.0402 1.4E2 177.0896 1.6E2 178.0223 1.0E2 179.0331 2.9E3 179.1534 1.3E2 180.0538 2.8E2 183.0297 1.4E2 185.0218 1.7E4 185.7290 1.2E2 186.0287 5.6E3 186.0920 5.6E2 186.5133 2.3E2 187.0318 8.5E2 197.0426 1.2E3 197.0864 2.7E2 197.1301 1.3E2 198.0453 2.5E2 203.0325 1.6E3 203.1948 1.0E2 206.0648 2.5E2 207.0707 1.2E2 209.0575 2.1E2 210.0639 1.9E2 211.0804 1.0E2 219.0508 1.7E2 220.0519 2.0E2 221.0599 3.9E2 223.0753 1.7E2 224.0482 1.1E2 225.0583 3.5E2 225.0913 1.5E2 226.0223 1.3E2 227.0684 2.1E2 231.0389 1.8E2 236.0384 2.8E2 237.0358 2.2E2 239.0680 1.1E3 240.0593 1.7E2 247.0344 1.2E2 248.0510 2.3E2 249.0523 9.4E2 250.0540 2.6E2 251.0667 7.5E2 253.0519 1.0E3 254.0544 4.4E2 254.1300 1.0E2 261.5824 1.1E2 265.0522 4.3E2 266.0557 4.5E2 267.0625 2.4E3 267.1748 1.3E2 267.2154 1.5E2 268.0644 2.5E2 269.0791 3.5E2 270.0729 2.3E2 276.0309 1.8E2 277.0465 1.9E3 277.5037 1.1E2 278.0534 6.9E2 279.0298 3.3E2 280.0300 8.8E2 281.0413 1.9E2 293.0431 2.1E3 293.2006 1.3E2 293.3141 1.2E2 294.0537 4.2E2 295.0614 4.7E3 295.9455 1.2E2 296.0640 6.4E2 296.1182 1.8E2 296.4507 1.3E2 297.5356 1.2E2 303.2111 1.2E2 311.0452 1.0E2 446.2368 1.1E2 END IONS BEGIN IONS FEATURE_ID=7570 PEPMASS=447.1100 SCANS=7570 RTINSECONDS=1302.298 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0114 1.7E2 72.9959 1.8E2 75.0101 1.2E2 85.0337 1.2E2 109.0264 3.8E2 121.9952 1.7E2 135.3016 1.1E2 145.0224 3.7E2 157.0261 1.1E2 159.0380 1.5E2 185.0180 4.7E2 219.0191 1.0E2 220.0506 1.1E2 235.0380 1.7E2 267.0644 1.2E2 269.0044 1.0E2 277.0524 2.2E2 294.0395 1.2E2 339.0413 1.0E2 END IONS BEGIN IONS FEATURE_ID=7571 PEPMASS=493.1123 SCANS=7571 RTINSECONDS=1302.829 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (4 removed due to low quality, 9 removed due to low cosine). 72.9923 7.1E2 75.0004 1.1E2 109.0291 1.4E3 121.0262 1.4E2 135.0443 4.2E2 145.0231 2.9E2 157.0275 1.8E2 158.0348 1.2E2 159.0437 3.8E2 160.0507 1.9E2 173.0237 3.2E2 185.0191 8.2E2 186.0315 5.7E2 203.0248 2.8E2 239.0728 2.8E2 241.0447 1.3E2 249.0526 5.5E2 277.0429 3.2E2 278.0614 1.5E2 288.9204 1.1E2 295.0573 2.9E2 END IONS BEGIN IONS FEATURE_ID=7580 PEPMASS=535.0872 SCANS=7580 RTINSECONDS=1304.141 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 72.9965 5.2E2 73.0282 2.4E2 97.0290 1.6E2 101.0265 2.6E2 105.0329 1.7E2 109.0292 5.0E2 123.0436 1.2E2 133.0278 2.1E2 135.0451 3.6E2 136.0439 1.2E2 137.0215 1.4E2 153.0534 1.5E2 159.0435 1.4E2 161.0208 2.2E2 185.0231 1.3E2 207.0461 1.3E2 221.0489 1.0E2 247.0349 3.3E2 264.0621 1.2E2 265.0568 4.7E2 266.0522 1.4E2 267.0639 4.8E2 269.0746 1.5E2 276.0356 1.7E2 276.0710 1.1E2 278.0504 1.6E2 281.0327 1.2E2 281.0829 1.8E2 281.1681 1.0E2 293.0417 7.5E2 293.0904 2.5E2 313.0674 1.2E2 340.1528 1.6E2 393.0742 1.2E2 408.1341 1.2E2 492.1189 1.5E2 945.8489 1.7E2 END IONS BEGIN IONS FEATURE_ID=7588 PEPMASS=559.0842 SCANS=7588 RTINSECONDS=1306.169 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 65.0414 1.3E2 75.0075 2.1E2 85.0276 1.5E2 104.0378 1.2E2 109.0263 3.4E2 128.0457 1.0E2 135.0488 1.1E2 147.0430 5.1E2 159.0403 7.7E2 159.0730 1.6E2 165.0480 1.9E2 173.0175 1.1E2 203.0287 2.3E2 249.0476 1.1E2 268.0811 1.1E2 269.0716 2.5E2 273.1085 2.1E2 288.0995 1.0E2 291.0564 1.3E3 291.1280 1.4E2 292.0656 1.7E2 297.0346 1.3E2 321.0316 1.5E2 335.0507 1.1E2 354.0848 1.0E2 379.0527 1.2E2 410.1286 1.0E2 453.0086 1.1E2 883.3594 1.1E2 END IONS BEGIN IONS FEATURE_ID=7615 PEPMASS=397.1137 SCANS=7615 RTINSECONDS=1316.963 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9595 3.0E2 81.0388 1.6E2 96.9709 1.1E2 108.0233 1.3E3 108.0767 2.1E2 109.0294 1.2E3 109.1033 1.0E2 110.0320 1.2E2 149.0597 1.3E2 152.0109 1.0E3 153.0151 1.4E2 169.1264 1.7E2 179.1017 1.2E2 189.5056 2.0E2 236.0407 1.2E2 242.0221 1.2E2 246.1558 1.1E2 951.4496 2.3E2 END IONS BEGIN IONS FEATURE_ID=7621 PEPMASS=653.1503 SCANS=7621 RTINSECONDS=1319.584 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (4 removed due to low quality, 5 removed due to low cosine). 135.0488 2.0E2 159.0388 1.2E2 161.0208 1.6E2 165.0575 1.3E2 179.0292 1.3E2 191.0658 2.0E2 219.0659 1.6E2 265.0434 2.3E2 265.0911 1.1E2 267.0549 1.8E2 268.0638 2.5E2 305.0205 1.7E2 311.0507 4.0E3 311.2163 2.0E2 311.2858 1.1E2 312.0544 8.7E2 313.0583 1.0E2 345.0207 1.5E2 396.0249 1.1E2 491.1003 1.0E2 849.7668 2.6E2 END IONS BEGIN IONS FEATURE_ID=7622 PEPMASS=713.1706 SCANS=7622 RTINSECONDS=1319.511 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9936 5.2E2 87.0063 1.1E2 109.0262 2.6E2 110.0278 1.4E2 115.6070 1.2E2 135.0412 4.1E2 135.0650 1.2E2 143.0147 1.1E2 163.0376 1.7E2 167.0314 2.0E2 179.0301 2.3E2 185.0243 3.2E2 197.0393 1.8E2 199.0356 1.7E2 218.0545 2.1E2 231.0233 1.0E2 243.0233 4.0E2 249.0495 1.2E2 280.0131 1.4E2 285.0435 1.0E2 293.0438 2.2E2 295.0592 1.1E3 313.0355 1.5E2 321.0382 2.1E3 321.1071 2.6E2 321.1920 1.2E2 322.0340 1.1E2 323.0299 1.3E2 326.3652 1.2E2 337.0322 3.8E2 337.2063 1.5E2 339.0538 3.7E2 339.1133 1.3E2 340.0572 1.0E2 348.0168 1.3E2 353.0560 2.4E2 353.0890 1.3E2 354.0686 1.8E2 357.0420 1.2E2 359.0934 1.5E2 365.0533 1.5E2 371.1876 1.2E2 372.0822 1.5E2 372.9909 1.3E2 392.9894 1.9E2 471.1190 1.7E2 475.1008 1.3E2 483.0980 2.7E2 498.9867 1.2E2 519.0737 1.3E2 568.1964 1.1E2 575.0184 1.8E2 602.1079 1.4E2 670.1987 2.3E2 868.0191 1.6E2 954.7947 1.3E2 END IONS BEGIN IONS FEATURE_ID=7637 PEPMASS=345.2256 SCANS=7637 RTINSECONDS=1326.944 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 88.0459 1.1E2 97.0635 1.6E2 104.9619 1.1E2 126.9682 2.5E2 127.1092 2.0E2 133.0326 1.4E2 140.0758 1.4E2 151.0612 1.4E2 188.6739 1.2E2 201.1078 1.2E2 209.0813 1.0E2 END IONS BEGIN IONS FEATURE_ID=7639 PEPMASS=597.2676 SCANS=7639 RTINSECONDS=1327.84 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0110 1.8E2 83.0556 1.6E2 89.0289 1.5E2 104.0344 1.8E2 149.0634 1.1E2 213.0559 1.2E2 228.9176 1.1E2 279.0292 2.0E2 288.0207 1.4E2 339.0835 1.2E2 343.0047 1.2E2 364.1299 2.1E2 375.0749 1.4E2 377.0603 1.0E2 419.0780 1.1E2 421.2200 1.1E2 518.0270 1.0E2 553.1847 1.3E2 561.2807 2.3E2 679.0407 1.3E2 967.5173 1.4E2 END IONS BEGIN IONS FEATURE_ID=7641 PEPMASS=489.0990 SCANS=7641 RTINSECONDS=1328.496 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0231 1.6E2 135.0435 5.5E2 151.0042 1.5E2 166.6496 1.0E2 179.0314 1.8E2 185.0215 2.7E2 267.0675 2.3E2 268.0576 1.3E2 271.0579 1.0E2 272.1027 2.2E2 284.0270 1.1E3 285.0526 1.2E2 291.0207 1.6E2 293.0475 9.1E2 293.1345 1.0E2 294.0423 1.4E2 295.0656 1.1E2 300.0580 1.2E2 311.0518 2.6E3 311.1543 1.4E2 311.2141 1.1E2 312.0609 3.5E2 343.0832 1.1E2 345.0698 1.1E2 366.1053 1.0E2 454.1080 1.2E2 462.1004 1.1E2 489.1076 8.7E2 490.1080 5.6E2 490.2651 1.1E2 491.1164 5.1E2 491.2814 2.4E2 END IONS BEGIN IONS FEATURE_ID=7642 PEPMASS=201.1116 SCANS=7642 RTINSECONDS=1330.103 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 99.9294 1.1E2 139.1127 5.3E2 156.4652 1.1E2 183.1058 2.3E2 202.1106 1.4E2 767.6699 1.5E2 END IONS BEGIN IONS FEATURE_ID=7650 PEPMASS=201.1119 SCANS=7650 RTINSECONDS=1334.042 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 65.9945 1.1E2 86.7750 1.0E2 118.9376 1.2E2 659.1429 1.2E2 END IONS BEGIN IONS FEATURE_ID=7665 PEPMASS=401.1402 SCANS=7665 RTINSECONDS=1347.538 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.0639 1.7E2 107.4445 1.3E2 179.0375 2.5E2 180.9645 1.0E2 193.0493 1.1E2 207.0810 1.1E2 226.1036 2.1E2 229.1392 1.4E2 249.1065 1.1E2 253.1267 1.8E2 277.1301 1.4E2 281.1018 1.3E2 329.2209 2.0E2 337.0792 1.7E2 340.2266 2.2E2 341.1108 1.7E2 343.2113 4.1E2 345.2176 1.1E2 347.1082 1.2E2 358.2070 2.0E2 365.1787 2.6E2 367.0679 1.8E2 369.1089 8.2E2 369.1823 1.2E2 370.1155 2.0E2 381.8902 1.7E2 401.1358 1.1E3 401.2890 1.0E2 402.1337 4.6E2 402.2328 1.1E2 403.1718 2.9E2 486.4084 1.4E2 835.0305 1.0E2 END IONS BEGIN IONS FEATURE_ID=7667 PEPMASS=557.3043 SCANS=7667 RTINSECONDS=1347.538 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9945 1.1E2 124.0703 1.1E2 160.9185 1.1E2 173.0417 2.0E2 219.0439 1.3E2 233.2630 1.2E2 263.1156 1.2E2 264.0788 1.2E2 378.8746 1.1E2 404.1995 1.8E2 489.2316 1.1E2 491.2766 1.1E2 521.3266 3.8E2 522.1866 1.4E2 541.2406 1.5E2 557.1999 1.3E2 557.3066 7.9E2 557.3989 1.1E2 558.2147 1.9E2 558.3083 1.8E2 559.2862 4.7E2 END IONS BEGIN IONS FEATURE_ID=7670 PEPMASS=437.1508 SCANS=7670 RTINSECONDS=1350.488 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0106 1.8E2 97.0747 1.5E2 108.9923 1.0E2 114.9859 1.9E2 126.9089 1.4E2 142.9559 1.5E2 159.0033 1.0E2 160.9907 3.6E2 175.0382 1.9E2 177.0545 1.3E2 203.0366 6.3E2 204.0533 1.6E2 205.0315 2.2E2 243.0690 1.6E2 259.0630 3.0E2 261.0413 2.0E2 277.0442 1.7E2 283.0865 1.1E2 287.0574 4.4E2 301.1209 1.3E2 312.0359 1.1E2 425.0199 1.0E2 505.3989 1.4E2 END IONS BEGIN IONS FEATURE_ID=7677 PEPMASS=653.1508 SCANS=7677 RTINSECONDS=1353.284 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (2 removed due to low quality, 1 removed due to low cosine). 72.9952 1.1E2 85.0252 1.2E2 135.0459 8.7E2 136.0422 2.0E2 179.0326 1.2E2 213.0633 2.0E2 231.0865 1.4E2 241.8998 1.0E2 244.5867 1.1E2 265.0449 1.6E2 265.0873 1.3E2 267.0628 1.1E3 267.1274 1.2E2 268.0705 1.5E2 289.1827 1.2E2 297.1198 1.6E2 306.1502 1.2E2 311.0535 7.5E3 311.1434 1.0E2 311.2170 2.3E2 312.0559 1.5E3 313.0554 3.8E2 315.0751 1.1E2 327.2149 1.6E2 328.2255 1.1E2 329.0710 1.2E2 331.2465 1.6E2 332.1875 1.6E2 347.3631 1.2E2 348.9611 1.2E2 372.1566 2.6E2 387.1820 1.0E2 402.9110 2.3E2 430.0880 1.5E2 445.0783 1.1E2 455.0849 1.6E2 463.1795 1.5E2 473.1031 1.9E2 489.0759 1.3E2 491.0925 1.7E3 491.2877 1.2E2 492.0910 6.5E2 493.1100 1.4E2 493.2904 1.3E2 508.9969 1.7E2 538.2176 1.1E2 549.1300 1.5E2 593.1414 1.1E2 620.2199 1.1E2 653.1426 1.3E3 653.3586 1.5E2 654.1539 9.8E2 654.2560 1.8E2 654.3388 1.4E2 654.3694 1.2E2 655.1573 1.3E2 655.3230 1.4E2 655.3510 5.1E2 655.3671 1.6E2 657.5037 1.0E2 755.1668 1.1E2 756.2442 1.7E2 978.0204 1.6E2 END IONS BEGIN IONS FEATURE_ID=7680 PEPMASS=437.1506 SCANS=7680 RTINSECONDS=1355.613 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0160 1.3E2 117.0604 1.3E2 135.0464 1.8E2 154.9036 1.9E2 173.0450 1.1E2 179.0342 1.8E2 191.0565 2.0E2 206.0262 1.3E2 217.0873 1.5E2 219.0412 1.0E2 224.0739 1.1E2 351.2120 1.2E2 405.1216 1.6E3 405.1909 3.8E2 405.2663 1.5E2 406.1343 3.1E2 407.1241 1.4E2 437.1522 3.8E2 439.1463 1.7E2 439.2549 1.0E2 END IONS BEGIN IONS FEATURE_ID=7683 PEPMASS=329.0663 SCANS=7683 RTINSECONDS=1356.885 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (4 removed due to low quality, 3 removed due to low cosine). 79.9588 1.7E2 100.5387 1.0E2 108.0290 1.2E2 109.0280 2.9E2 121.0262 2.8E2 122.0427 1.5E2 123.0443 5.4E2 133.0259 5.6E2 135.0433 2.4E2 136.0467 1.4E2 137.0197 1.1E2 149.0197 4.9E2 161.0160 1.5E2 167.0331 4.1E2 268.0578 2.2E2 831.9230 1.0E2 END IONS BEGIN IONS FEATURE_ID=7691 PEPMASS=401.1395 SCANS=7691 RTINSECONDS=1363.519 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 97.0619 1.3E2 136.9076 1.8E2 139.0325 1.4E2 139.1069 1.7E2 141.0530 1.2E2 147.0897 1.6E2 148.9616 1.3E2 152.9344 1.1E2 166.1314 2.0E2 178.9261 1.2E2 188.0305 1.3E2 211.0615 2.7E2 211.1277 1.5E2 212.0697 3.2E2 213.0700 2.0E2 227.0693 1.0E2 239.0821 2.2E2 240.0541 5.4E2 240.0983 2.4E2 241.0493 1.2E2 251.0901 2.0E2 267.0436 3.5E2 268.0726 1.4E2 281.0963 2.2E2 283.0597 2.1E2 291.0622 1.8E2 294.0635 1.0E2 296.0635 1.4E2 325.1978 1.1E2 359.1251 2.3E2 526.4203 2.3E2 815.9907 1.8E2 END IONS BEGIN IONS FEATURE_ID=7694 PEPMASS=537.2828 SCANS=7694 RTINSECONDS=1363.717 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9936 2.4E2 89.0388 1.1E2 95.0321 1.4E2 109.0302 1.6E2 135.0462 3.4E2 177.0354 1.5E2 179.0355 1.7E2 185.0215 1.7E2 201.1243 1.5E2 208.0531 1.1E2 237.0547 1.3E2 251.0318 1.0E2 267.9086 1.1E2 281.1457 1.1E2 295.0684 1.1E2 453.0515 2.3E2 504.1616 1.2E2 878.9191 1.1E2 END IONS BEGIN IONS FEATURE_ID=7701 PEPMASS=743.1515 SCANS=7701 RTINSECONDS=1366.561 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0162 1.1E2 119.0552 1.0E2 123.0464 1.6E2 142.9759 1.6E2 271.0247 1.1E2 285.0070 1.6E2 295.0587 1.5E2 333.0358 1.4E2 351.0598 1.0E2 360.9238 1.2E2 361.0175 1.1E2 372.9848 1.4E2 377.0305 1.8E2 389.0269 2.0E2 407.0455 1.9E2 434.0287 1.5E3 435.0340 7.0E2 435.1194 1.1E2 436.0402 2.8E2 449.0121 1.4E2 453.0003 1.4E2 671.0541 1.6E2 709.1569 1.1E2 742.9538 1.3E2 743.1466 1.2E3 743.2930 1.6E2 744.1520 2.0E2 745.1288 1.7E2 799.0522 1.1E2 END IONS BEGIN IONS FEATURE_ID=7702 PEPMASS=469.1747 SCANS=7702 RTINSECONDS=1369.408 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0185 1.1E2 111.0221 1.3E2 113.0241 1.7E2 122.0738 1.0E2 139.0008 1.6E2 148.0528 1.1E3 149.0541 1.3E2 150.6250 1.2E2 163.0816 1.7E2 165.0068 1.1E2 179.0995 1.1E2 185.9989 1.4E2 203.0344 1.6E2 271.4627 1.1E2 276.0343 1.1E2 276.1065 1.1E2 357.1755 1.8E2 END IONS BEGIN IONS FEATURE_ID=7706 PEPMASS=629.2230 SCANS=7706 RTINSECONDS=1370.337 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0205 1.3E2 115.0421 1.1E2 121.9412 1.8E2 181.0528 1.3E2 182.0480 1.5E2 190.0530 1.5E2 197.0410 1.9E2 214.9866 1.8E2 229.0144 3.0E2 233.0959 3.0E2 233.1360 1.1E2 237.1149 1.0E2 247.0855 1.7E2 287.0590 1.1E2 301.1317 1.0E2 320.1617 1.2E2 327.1322 1.4E2 332.0104 1.0E2 335.0761 1.1E2 355.0144 1.7E2 365.4446 2.8E2 393.5260 1.3E2 395.0574 1.2E2 425.1529 1.2E2 431.0415 1.7E2 433.0327 1.9E2 435.2628 1.6E2 451.4590 1.0E2 459.0910 1.1E2 485.9096 1.5E2 487.1964 1.2E2 489.3768 2.2E2 494.1203 1.7E2 505.1074 1.1E2 543.2525 1.9E2 561.2185 1.3E3 562.2174 4.2E2 563.2156 1.4E2 573.0833 1.7E2 584.1911 1.3E2 593.2330 5.1E2 593.3113 1.7E2 594.2294 2.2E2 594.3420 1.0E2 630.1985 1.3E2 630.3449 1.1E2 631.1967 1.6E2 631.2871 4.1E2 632.1980 1.4E2 633.3292 1.5E2 676.0015 2.1E2 880.9292 2.0E2 END IONS BEGIN IONS FEATURE_ID=7709 PEPMASS=667.1900 SCANS=7709 RTINSECONDS=1372.23 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 95.0102 2.1E2 103.7447 1.3E2 143.1035 2.0E2 147.1153 1.7E2 151.0442 2.1E2 173.1265 1.6E2 237.0394 1.0E2 264.0365 2.2E2 300.0188 1.0E2 326.0424 2.2E3 326.1733 1.2E2 327.0471 1.1E3 327.1224 1.2E2 328.0495 2.0E2 466.0920 1.5E2 607.9227 1.1E2 635.1619 7.8E2 635.2419 1.4E2 636.1674 2.8E2 637.1764 1.1E2 END IONS BEGIN IONS FEATURE_ID=7712 PEPMASS=557.3036 SCANS=7712 RTINSECONDS=1378.3 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 92.9239 1.8E2 110.0608 1.7E2 118.0374 2.6E2 130.0447 1.7E2 149.0172 1.7E2 164.9229 1.9E2 166.9185 2.7E2 173.0433 3.2E2 191.0449 1.3E2 206.0379 1.5E2 215.7580 1.1E2 285.0409 1.0E2 287.9626 1.3E2 303.8360 1.3E2 336.1577 1.5E2 355.1035 1.7E2 516.0567 1.1E2 END IONS BEGIN IONS FEATURE_ID=7718 PEPMASS=623.1635 SCANS=7718 RTINSECONDS=1377.668 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 63.4190 1.2E2 85.0290 1.2E2 87.0007 1.3E2 89.0244 4.3E2 91.0259 1.4E2 98.0240 2.2E2 101.0253 2.1E2 119.0316 3.1E2 119.9545 1.1E2 124.0153 2.3E2 135.0360 1.2E2 135.0420 5.1E2 136.0139 2.6E2 147.0430 1.1E2 151.0319 1.6E2 161.0177 2.2E2 168.0512 1.6E2 177.0139 1.2E2 191.9959 1.4E2 192.8736 1.0E2 224.1217 1.2E2 230.0352 1.8E2 253.0459 1.9E2 257.0842 1.1E2 265.0433 1.3E2 266.0477 1.2E2 267.0704 1.1E2 269.0718 1.3E2 269.0776 5.9E2 269.1273 1.8E2 269.2077 1.4E2 270.0914 1.6E2 271.0629 1.0E2 279.0457 1.5E2 283.0218 5.3E2 283.2345 1.1E2 284.0313 2.1E3 284.9164 1.5E2 285.0304 2.5E2 285.0372 4.6E2 295.0431 1.4E2 298.0516 6.7E2 299.0533 1.3E4 299.1723 2.2E2 299.2147 4.4E2 299.2989 1.2E2 299.6846 1.2E2 300.0592 2.6E3 300.0615 3.1E2 301.0610 1.7E2 301.0725 1.1E2 304.9025 1.3E2 311.0460 4.4E2 311.0577 8.3E2 311.0643 4.6E2 311.1349 1.1E2 312.0613 4.0E2 323.0526 1.2E2 332.1096 1.1E2 332.9965 1.2E2 365.0317 1.6E2 371.1031 1.0E2 422.1178 1.3E2 440.4597 1.3E2 441.8356 1.2E2 457.0545 1.8E2 461.1023 1.2E2 461.1135 1.5E2 463.0516 1.5E2 531.2142 1.1E2 556.9700 1.1E2 562.0919 1.0E2 563.3469 2.3E2 608.0639 1.1E2 623.1606 3.7E3 623.3099 1.9E2 623.7310 1.1E2 624.1627 2.3E3 624.2551 1.9E2 624.2864 2.0E2 624.3908 1.1E2 624.7638 2.1E2 625.1545 1.1E3 625.2549 1.3E2 625.3441 1.5E2 626.1418 4.3E2 626.2242 2.1E2 626.2374 2.0E2 626.3228 1.1E2 627.2203 1.6E2 642.8836 1.5E2 756.0164 1.4E2 990.9848 1.2E2 END IONS BEGIN IONS FEATURE_ID=7726 PEPMASS=487.1226 SCANS=7726 RTINSECONDS=1380.281 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9941 1.1E2 89.0411 1.8E2 106.9573 1.9E2 113.0228 2.3E2 118.9404 1.7E2 123.0417 2.0E2 135.0460 2.5E2 148.9454 1.1E2 223.0720 1.9E2 228.0284 1.8E2 248.0534 2.3E2 265.7980 1.5E2 266.0546 8.7E2 267.0631 5.7E2 269.0582 1.5E2 274.9019 1.4E2 325.0707 2.2E3 325.2348 1.2E2 326.0748 9.4E2 327.0819 3.9E2 327.2119 1.1E2 327.2933 1.2E2 356.0519 1.1E2 429.2893 2.0E2 488.8504 1.0E2 END IONS BEGIN IONS FEATURE_ID=7740 PEPMASS=599.1888 SCANS=7740 RTINSECONDS=1384.219 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 84.0059 1.2E2 102.9476 2.6E2 125.8678 1.1E2 138.0317 1.3E2 236.8614 1.8E2 293.0710 2.3E2 327.2054 1.6E2 336.0911 1.0E2 338.1101 1.3E2 353.0975 2.0E2 371.7763 1.2E2 393.1395 1.7E2 401.1386 1.0E2 423.1690 1.8E2 490.9732 1.1E2 514.1032 1.2E2 570.1638 1.1E2 738.4548 1.2E2 END IONS BEGIN IONS FEATURE_ID=7743 PEPMASS=493.2293 SCANS=7743 RTINSECONDS=1385.791 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0156 3.4E2 72.9923 1.0E2 73.0286 1.8E2 89.0240 2.2E2 93.0370 2.7E2 101.0229 1.1E2 109.0303 2.3E2 119.0374 1.0E2 131.0363 1.1E2 135.0440 1.8E2 154.8929 1.2E2 161.0238 1.5E2 173.0230 1.4E2 175.1122 1.0E2 185.0245 2.8E2 224.9571 1.8E2 235.0740 1.3E2 252.2048 1.0E2 313.0218 1.4E2 314.2452 1.2E2 329.2496 1.1E2 431.2746 1.4E2 582.0557 1.2E2 695.1253 1.6E2 END IONS BEGIN IONS FEATURE_ID=7746 PEPMASS=909.1905 SCANS=7746 RTINSECONDS=1385.791 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.2266 1.0E2 68.9549 1.3E2 85.0390 1.0E2 312.0519 2.0E2 339.0582 3.5E2 353.7952 1.0E2 357.0677 2.2E2 365.0689 2.1E2 389.0841 3.6E2 390.0862 3.9E2 391.0859 1.9E2 431.1043 1.4E2 475.1050 6.1E2 476.0824 2.0E2 477.1004 1.0E2 479.3598 1.1E2 513.0698 1.3E2 519.0941 1.7E3 519.2059 1.4E2 520.1006 4.9E2 521.0926 2.0E2 524.4272 1.7E2 667.1207 1.5E2 673.1321 1.2E2 693.1014 1.0E2 711.1634 1.1E2 712.1384 1.4E2 715.1489 1.0E2 811.0710 2.3E2 869.1569 1.3E2 909.1822 1.3E3 909.2955 2.1E2 909.4111 1.7E2 910.0062 1.6E2 910.1918 1.1E3 910.3375 1.7E2 910.4301 1.3E2 910.9406 1.0E2 911.2120 2.3E2 911.4926 1.6E2 942.9728 1.0E2 END IONS BEGIN IONS FEATURE_ID=7751 PEPMASS=483.2014 SCANS=7751 RTINSECONDS=1388.346 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 121.0245 1.1E2 122.0318 1.5E2 140.0399 1.2E2 143.0804 1.2E2 150.9113 1.9E2 164.9372 1.0E2 177.0189 1.0E2 178.0207 1.9E2 201.7913 1.6E2 203.0377 1.0E2 205.0705 1.6E2 205.1989 1.1E2 209.0789 1.4E2 224.0231 2.6E2 241.1333 9.0E2 277.0577 1.0E2 295.0646 1.4E2 297.0557 1.3E2 308.0177 1.4E2 345.2324 1.1E2 445.0373 2.1E2 465.0373 1.1E2 END IONS BEGIN IONS FEATURE_ID=7757 PEPMASS=590.1274 SCANS=7757 RTINSECONDS=1394.492 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9885 1.7E2 72.9962 1.8E2 105.6175 1.1E2 125.0200 1.2E2 130.0916 1.0E2 135.0460 9.7E2 135.0904 1.5E2 191.9080 1.4E2 264.8982 1.2E2 266.0866 1.2E2 279.0721 2.4E2 281.0746 1.5E2 311.0529 1.1E3 312.0563 2.6E2 313.0196 1.7E2 322.0432 1.4E2 323.0579 3.9E2 325.9826 1.4E2 337.9229 1.4E2 343.0141 1.7E2 361.5288 2.4E2 363.1691 1.5E2 525.3089 1.7E2 546.1919 1.3E2 708.0143 1.2E2 END IONS BEGIN IONS FEATURE_ID=7759 PEPMASS=415.1066 SCANS=7759 RTINSECONDS=1396.864 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0441 7.9E2 158.8642 1.3E2 161.0195 1.8E2 179.0299 1.8E2 190.0618 1.2E2 191.0667 2.8E2 192.0739 1.2E2 197.0433 2.6E2 235.0766 1.0E2 236.0537 1.4E2 253.0703 7.7E2 253.1219 1.3E2 260.7946 1.2E2 343.1168 1.7E2 379.0307 1.1E2 397.2432 1.6E2 398.9730 1.4E2 416.2145 1.3E2 519.9502 1.1E2 END IONS BEGIN IONS FEATURE_ID=7760 PEPMASS=459.1823 SCANS=7760 RTINSECONDS=1396.864 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 119.0411 1.2E2 135.0436 3.5E2 173.0478 1.1E2 207.0091 1.8E2 240.0601 1.6E2 255.1602 1.3E2 256.0746 1.4E2 259.0309 1.4E2 343.0951 1.3E2 461.2062 1.4E2 463.3253 1.1E2 727.0576 1.3E2 END IONS BEGIN IONS FEATURE_ID=7761 PEPMASS=489.1565 SCANS=7761 RTINSECONDS=1396.864 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 101.0289 1.5E2 136.0509 2.1E2 161.0255 3.2E2 179.0695 1.3E2 185.0207 3.1E2 234.9881 1.1E2 254.8239 1.2E2 256.1227 2.6E2 259.0968 1.4E2 285.0389 1.6E2 291.1239 1.8E3 291.2341 1.2E2 291.4199 1.4E2 292.1236 1.7E2 295.0618 2.9E2 311.0617 1.5E2 313.0703 2.7E2 315.1901 2.5E2 329.2360 1.4E2 339.0525 2.1E2 360.9348 1.0E2 363.0642 1.4E2 394.1428 1.2E2 447.0958 1.6E2 447.2174 2.8E2 453.1796 1.2E2 459.1539 1.3E2 489.1714 1.5E2 490.8422 1.1E2 491.1278 3.9E2 491.2779 1.0E2 493.2038 1.1E2 525.0326 1.8E2 577.0479 1.2E2 659.0587 1.1E2 END IONS BEGIN IONS FEATURE_ID=7765 PEPMASS=971.3484 SCANS=7765 RTINSECONDS=1402.058 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 90.0302 1.7E2 119.0356 1.0E2 149.0546 2.1E2 150.0379 1.2E2 151.0387 1.8E2 165.0491 8.0E2 166.0594 2.1E2 177.0286 1.2E2 181.0468 1.4E2 195.0659 1.1E3 214.0661 1.6E2 311.1058 1.2E2 329.1012 1.2E2 350.9907 1.3E2 356.0305 1.0E2 387.1494 1.2E2 417.1529 3.5E2 450.2734 2.6E2 471.1727 1.1E2 557.2689 1.0E2 565.2043 7.3E2 566.2071 4.3E2 567.2100 2.3E2 595.2119 1.2E2 596.2087 1.6E2 613.2406 2.7E2 615.2136 1.3E2 693.2355 1.3E2 713.2504 2.4E2 714.2550 4.5E2 715.2607 1.4E2 743.2459 1.5E2 744.2424 1.7E2 745.2375 1.3E2 748.9526 2.0E2 749.1281 1.3E2 809.2907 1.0E2 825.2074 1.1E2 954.0498 1.1E2 974.4733 1.2E2 END IONS BEGIN IONS FEATURE_ID=7768 PEPMASS=177.0566 SCANS=7768 RTINSECONDS=1405.678 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 88.8202 1.2E2 89.0417 1.8E2 93.0379 1.4E2 117.0333 3.6E3 117.0646 2.1E2 117.1012 1.5E2 118.0351 7.6E2 145.0245 1.1E2 339.5518 1.5E2 448.7932 1.1E2 END IONS BEGIN IONS FEATURE_ID=7771 PEPMASS=667.1913 SCANS=7771 RTINSECONDS=1405.678 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0141 2.0E2 96.9223 1.1E2 101.0186 1.3E2 123.0445 2.9E2 135.0408 4.3E2 150.9945 2.7E2 189.0287 1.0E2 197.0433 2.5E2 205.0119 1.1E2 229.0022 1.2E2 270.0559 1.1E2 280.0421 2.6E2 281.0430 3.4E2 283.0416 1.7E2 321.0399 1.3E2 326.0452 2.2E3 326.1266 2.1E2 326.2044 1.3E2 327.0523 1.1E3 327.1888 1.5E2 327.2860 1.3E2 330.0415 1.5E2 337.0339 5.1E2 340.0297 1.5E2 361.2898 1.8E2 420.2386 1.4E2 496.1115 1.1E2 621.1291 1.3E2 635.1655 5.0E2 636.1672 1.5E2 637.0596 1.2E2 667.2174 1.0E2 726.9801 2.2E2 984.8800 1.0E2 END IONS BEGIN IONS FEATURE_ID=7776 PEPMASS=971.3489 SCANS=7776 RTINSECONDS=1407.937 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 117.9254 1.1E2 144.9967 2.1E2 145.0555 1.2E2 151.0385 1.1E2 165.0528 1.1E3 166.0562 1.7E2 179.0663 1.4E2 180.0431 1.1E2 181.0504 1.2E2 195.0664 1.4E3 195.1194 1.2E2 196.0634 4.6E2 231.0913 1.2E2 278.8215 1.1E2 346.0396 1.4E2 387.1391 1.5E2 417.1532 3.5E2 418.1428 1.0E2 472.1432 1.3E2 537.2799 2.7E2 565.2022 8.6E2 566.2072 1.9E2 577.1877 1.3E2 613.2462 2.2E2 679.2577 1.2E2 713.2572 9.5E2 714.2522 1.4E2 715.2783 1.1E2 731.2862 1.2E2 739.2649 1.1E2 760.2417 1.9E2 761.2783 1.4E2 773.3030 1.4E2 809.2887 3.8E2 809.3673 1.3E2 825.1848 1.6E2 906.1606 1.1E2 955.3567 1.3E2 END IONS BEGIN IONS FEATURE_ID=7788 PEPMASS=705.3779 SCANS=7788 RTINSECONDS=1413.935 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0234 1.6E2 95.0184 2.4E2 159.0273 2.8E2 167.0292 1.5E2 233.1442 1.8E2 295.0690 1.1E2 303.7389 1.2E2 348.1292 1.8E2 374.9649 1.8E2 507.3562 3.4E2 508.3406 2.0E2 669.4062 6.4E2 670.3967 2.0E2 673.3744 1.0E2 END IONS BEGIN IONS FEATURE_ID=7794 PEPMASS=735.1695 SCANS=7794 RTINSECONDS=1414.52 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 74.6505 1.2E2 104.9511 2.6E2 137.0250 1.8E2 137.0517 1.1E2 137.3011 1.1E2 147.0430 2.8E2 148.0475 1.2E2 153.2517 1.6E2 159.0419 3.4E2 175.0407 2.4E2 177.0572 3.7E2 179.0289 3.4E2 197.0486 1.8E2 201.0117 1.4E2 201.0586 1.3E2 203.0423 1.1E2 219.0277 7.4E2 219.1378 2.0E2 239.1321 1.0E2 259.0977 1.2E2 269.0827 6.1E2 270.0917 2.3E2 291.0594 1.5E2 295.0603 3.6E2 296.0285 1.1E2 299.0882 2.1E2 305.1777 1.3E2 311.0792 2.1E2 313.0689 2.3E2 321.0323 1.1E2 325.0426 2.5E2 335.0562 1.9E2 337.0383 3.2E2 338.0361 1.1E2 353.0600 3.8E2 357.0939 1.7E2 359.0185 1.7E2 359.0666 1.1E2 360.0078 1.4E2 375.0718 2.8E2 379.0437 3.8E2 405.1502 1.2E2 414.3940 1.2E2 441.0465 1.1E2 472.1020 1.3E2 578.0701 2.5E2 765.0574 1.1E2 957.9560 1.5E2 END IONS BEGIN IONS FEATURE_ID=7795 PEPMASS=669.4024 SCANS=7795 RTINSECONDS=1416.762 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0154 3.3E2 83.0136 2.6E2 89.0221 5.8E2 101.0235 3.7E2 102.0285 1.0E2 111.0023 1.7E2 113.0200 2.2E2 119.0295 2.1E2 130.0456 1.4E2 159.0299 1.1E2 164.0412 1.2E2 182.0750 1.3E2 260.0484 1.2E2 299.0216 1.1E2 311.0686 1.1E2 448.8609 1.2E2 507.3556 1.9E2 508.3527 2.8E2 669.3984 2.5E2 670.2135 1.2E2 670.4340 1.7E2 671.3857 1.7E2 END IONS BEGIN IONS FEATURE_ID=7798 PEPMASS=533.2485 SCANS=7798 RTINSECONDS=1420.575 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 124.0763 1.5E2 135.0401 4.0E2 154.0202 2.3E2 166.0180 2.3E2 197.0172 2.8E2 221.0760 1.9E2 237.6052 1.2E2 252.2235 1.0E2 277.0421 1.1E2 279.1070 2.4E2 293.0496 1.4E2 296.0242 1.2E2 299.0881 1.3E2 311.0545 1.9E2 335.0223 1.7E2 335.2247 3.2E2 337.0306 1.4E2 353.0212 2.3E2 410.1815 1.7E2 434.5840 1.7E2 445.1557 1.2E2 464.7572 1.2E2 467.4557 2.6E2 533.0795 2.3E2 533.2616 4.4E2 534.1832 1.5E2 534.2585 1.6E2 535.2550 3.4E2 536.2463 2.6E2 537.0970 1.1E2 END IONS BEGIN IONS FEATURE_ID=7814 PEPMASS=583.2174 SCANS=7814 RTINSECONDS=1427.885 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.9900 1.3E2 71.0114 3.4E2 92.9282 1.5E2 114.0533 1.3E2 122.0367 4.1E2 132.0197 1.6E2 135.0397 1.6E2 145.0277 2.2E2 149.0194 5.1E2 149.0811 1.1E2 150.0305 2.6E3 150.1115 1.2E2 151.0305 2.7E2 164.0462 1.2E2 165.0564 3.7E3 165.1461 1.0E2 166.0549 3.6E2 175.0421 1.6E2 177.0872 1.0E2 180.0486 1.1E2 190.0643 1.0E2 191.0459 1.8E2 191.0643 2.8E2 195.0595 2.0E2 195.0671 1.9E2 205.0790 1.5E2 205.0834 1.4E2 208.0771 1.3E2 223.0686 2.1E2 247.0196 1.9E2 249.0370 2.1E2 254.0840 1.3E2 258.0931 1.7E2 295.0573 1.8E2 298.0869 1.2E2 323.1177 1.5E2 325.1010 2.0E2 325.1086 1.1E2 327.0809 1.9E2 330.1115 1.2E2 338.1088 2.4E2 339.0886 3.6E2 341.0977 2.3E2 356.1264 1.1E2 357.1315 1.4E2 357.1419 2.0E2 359.1462 2.2E2 360.1657 1.5E2 378.8656 1.5E2 406.1453 1.1E2 457.1094 1.5E2 460.1536 1.1E2 464.1501 2.5E2 472.1472 1.1E2 473.1458 1.3E2 491.1736 1.1E2 537.1943 1.1E2 END IONS BEGIN IONS FEATURE_ID=7821 PEPMASS=585.2331 SCANS=7821 RTINSECONDS=1430.595 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0124 1.8E2 100.1489 2.2E2 121.0321 1.3E2 149.0229 3.3E2 149.0454 1.4E2 150.0305 1.2E3 151.0343 2.8E2 165.0569 1.0E3 190.0640 2.9E2 195.0741 1.1E2 208.0771 2.4E2 222.0885 2.1E2 277.2257 1.5E2 297.1584 1.3E2 326.1059 1.0E2 359.1425 2.0E2 360.1455 1.6E2 361.1495 1.1E2 493.1598 1.4E2 509.1964 1.1E2 538.2340 1.0E2 815.8894 1.5E2 END IONS BEGIN IONS FEATURE_ID=7823 PEPMASS=326.1042 SCANS=7823 RTINSECONDS=1434.764 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 69.0365 2.5E2 71.4918 1.1E2 72.0067 1.5E2 72.9917 1.0E2 91.0499 2.0E2 99.0444 1.5E2 103.0506 1.8E2 107.0504 1.1E2 117.0350 1.5E2 125.0905 1.4E2 134.0339 1.9E2 135.0440 3.1E3 135.1322 1.1E2 136.0462 5.0E2 147.0450 4.6E2 154.8990 1.1E2 159.0372 1.2E2 161.0232 5.5E2 164.0739 1.2E2 173.8878 1.7E2 201.1130 1.0E2 229.0589 1.5E2 229.1898 1.3E2 242.1436 1.3E2 263.8594 1.4E2 284.0883 2.5E2 291.2036 1.1E2 308.0222 1.2E2 329.2323 1.7E2 619.9810 2.1E2 END IONS BEGIN IONS FEATURE_ID=7824 PEPMASS=343.0817 SCANS=7824 RTINSECONDS=1432.731 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 14 (0 removed due to low quality, 12 removed due to low cosine). 72.9942 3.0E2 73.0301 1.1E2 96.9644 1.2E2 107.0500 2.2E2 107.0543 1.9E2 119.0495 1.6E3 119.9661 1.7E2 120.0457 1.1E2 123.0510 1.2E2 127.0552 1.8E2 132.0164 1.0E2 133.0281 2.1E3 134.0355 4.6E2 135.0450 2.1E3 135.1532 1.1E2 136.0412 1.6E2 144.9429 2.4E2 145.0253 2.5E2 161.0227 1.5E3 162.0242 2.7E2 163.0378 1.1E3 165.0463 1.2E2 175.1444 1.0E2 182.0630 1.8E2 205.0750 1.3E2 214.1062 1.3E2 411.6826 1.2E2 599.2656 1.0E2 END IONS BEGIN IONS FEATURE_ID=7832 PEPMASS=621.2068 SCANS=7832 RTINSECONDS=1436.765 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9887 1.2E2 96.9726 2.0E2 138.8677 2.3E2 151.0186 1.3E2 164.9202 1.5E2 165.0514 2.2E2 208.0732 1.2E2 265.1434 2.3E2 297.0585 1.2E2 322.0240 1.8E2 331.0696 1.7E2 370.1246 1.4E2 374.0042 1.0E2 402.0886 1.3E2 410.9851 1.4E2 418.1207 1.5E2 539.2043 2.2E2 560.1729 1.5E2 577.2150 1.5E2 585.2947 1.9E2 END IONS BEGIN IONS FEATURE_ID=7834 PEPMASS=307.0718 SCANS=7834 RTINSECONDS=1438.77 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 137.9147 1.1E2 144.8660 1.3E2 161.0388 1.2E2 166.0585 1.3E2 191.0519 2.5E2 196.9098 2.0E2 204.0685 2.6E2 205.0774 1.1E3 206.0868 4.2E2 216.0662 1.3E2 278.2258 1.5E2 END IONS BEGIN IONS FEATURE_ID=7837 PEPMASS=343.0838 SCANS=7837 RTINSECONDS=1440.66 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 72.9943 2.6E2 111.0780 2.0E2 117.0332 1.4E2 133.0221 7.2E2 134.0327 2.1E2 135.0422 1.4E3 135.0683 2.1E2 135.1067 1.0E2 145.0283 4.3E2 145.0325 3.1E2 161.0221 8.7E3 161.1374 1.2E2 161.2463 1.4E2 162.0251 8.6E2 163.0416 6.9E2 170.1281 1.5E2 179.0436 2.3E2 181.0488 2.6E3 182.0623 2.2E2 197.0373 1.3E2 197.0414 1.1E2 280.9788 1.6E2 345.0109 1.2E2 END IONS BEGIN IONS FEATURE_ID=7838 PEPMASS=515.2943 SCANS=7838 RTINSECONDS=1442.557 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 109.0290 1.2E2 179.0376 3.1E2 240.9785 2.6E2 259.1188 1.3E2 441.0446 1.7E2 520.5893 1.0E2 669.7408 1.1E2 END IONS BEGIN IONS FEATURE_ID=7842 PEPMASS=537.2830 SCANS=7842 RTINSECONDS=1446.208 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 72.9907 2.6E2 89.0266 1.6E2 109.0294 1.9E2 123.0420 3.6E2 135.0404 4.8E2 137.0201 1.3E2 161.0219 1.0E2 163.0392 1.1E2 165.0032 2.6E2 169.1238 1.2E2 185.0173 1.3E2 203.0338 1.4E2 216.9990 2.7E2 217.1120 1.4E2 234.9456 1.0E2 236.9915 1.8E2 266.0292 1.0E2 267.0660 2.9E2 277.0583 2.4E2 283.0592 1.6E2 293.0463 1.7E2 295.0608 5.3E2 296.0528 2.0E2 306.0404 1.4E2 314.0619 1.2E2 321.0455 1.1E2 354.0646 1.2E2 361.0716 1.8E2 470.9709 1.0E2 518.9656 1.0E2 END IONS BEGIN IONS FEATURE_ID=7843 PEPMASS=421.2000 SCANS=7843 RTINSECONDS=1447.346 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.9548 2.9E2 92.9261 1.3E2 100.0017 1.7E2 114.9823 1.3E2 119.0546 2.0E2 164.9218 1.1E2 172.9765 2.2E2 197.0512 2.8E2 201.0104 1.3E2 203.0280 1.0E2 215.0752 2.0E2 223.0442 1.2E2 223.0917 2.4E2 252.8446 1.4E2 290.8828 1.5E2 END IONS BEGIN IONS FEATURE_ID=7844 PEPMASS=431.2270 SCANS=7844 RTINSECONDS=1447.346 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.9880 3.8E2 74.0280 1.1E2 85.0270 1.5E2 93.0311 1.5E2 106.0406 2.3E2 111.0800 1.7E2 153.7226 1.1E2 158.9732 1.4E2 181.0401 2.6E2 243.0095 1.5E2 243.0844 1.5E2 END IONS BEGIN IONS FEATURE_ID=7860 PEPMASS=343.0805 SCANS=7860 RTINSECONDS=1456.432 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 65.0381 2.6E2 72.9926 1.7E2 83.0508 1.7E2 87.0410 1.6E2 105.0324 2.2E2 107.0480 2.0E2 108.0434 1.3E2 119.0476 4.8E2 123.0435 1.9E2 133.0285 1.3E3 133.0857 1.1E2 134.0339 5.8E2 135.0439 9.2E2 135.0830 1.6E2 145.0246 1.6E2 161.0218 6.0E2 163.0386 2.3E2 166.0478 1.1E2 172.9711 2.9E2 181.0487 1.2E2 193.0753 1.9E2 197.1198 2.7E2 205.0772 7.9E2 205.1325 1.4E2 206.0752 1.2E2 211.1349 1.2E2 220.0499 1.2E2 227.1218 1.9E2 232.0619 1.4E2 233.0711 2.7E2 235.0640 1.3E2 237.1382 2.6E2 266.0920 1.3E2 651.1282 1.1E2 END IONS BEGIN IONS FEATURE_ID=7869 PEPMASS=591.1615 SCANS=7869 RTINSECONDS=1460.985 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0068 1.7E2 114.0543 1.1E2 149.0211 1.1E2 165.0557 1.5E2 195.0607 2.2E2 233.0586 2.0E2 241.0954 1.2E2 247.1142 1.2E2 341.1041 3.6E2 411.8222 1.1E2 478.0770 1.8E2 491.0928 1.3E2 507.1724 1.1E2 525.1655 1.0E2 531.1919 2.4E2 532.2532 1.2E2 537.1530 1.0E2 538.2980 1.0E2 555.1845 8.1E2 556.1826 4.6E2 561.2316 1.4E2 592.2715 1.1E2 592.3581 1.1E2 593.1480 1.0E2 676.1519 1.1E2 831.9607 1.2E2 846.2238 1.4E2 END IONS BEGIN IONS FEATURE_ID=7878 PEPMASS=351.1579 SCANS=7878 RTINSECONDS=1468.399 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 84.2824 1.1E2 108.0433 1.6E2 108.2466 1.1E2 146.9363 2.6E2 263.1261 1.5E2 END IONS BEGIN IONS FEATURE_ID=7882 PEPMASS=569.1798 SCANS=7882 RTINSECONDS=1468.798 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0478 1.4E2 174.9523 1.5E2 179.0244 1.0E2 195.0447 2.1E2 273.9843 1.1E2 290.0807 1.4E2 307.1870 1.1E2 323.1236 1.2E2 510.1451 1.0E2 915.5473 1.5E2 END IONS BEGIN IONS FEATURE_ID=7887 PEPMASS=361.1861 SCANS=7887 RTINSECONDS=1470.855 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0162 1.4E2 96.9577 3.3E2 111.0745 1.9E2 120.9376 2.6E2 147.0712 2.3E2 147.1123 2.4E2 191.0348 1.2E2 202.0046 1.1E2 301.5236 1.1E2 END IONS BEGIN IONS FEATURE_ID=7891 PEPMASS=555.1872 SCANS=7891 RTINSECONDS=1472.968 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0386 3.6E2 136.0169 1.0E2 136.0469 2.0E2 149.0212 1.5E2 150.0310 5.0E2 150.0646 1.1E2 151.0341 2.0E2 152.0650 1.6E2 161.0199 2.0E2 164.0444 3.8E2 165.0529 3.6E2 166.0467 1.8E2 175.0394 1.5E2 178.0184 1.4E2 179.0687 1.7E2 180.0331 1.4E2 180.0690 2.4E2 213.0189 1.1E2 227.0258 1.2E2 234.0490 1.4E2 277.1037 1.4E2 295.9372 1.3E2 309.0226 1.0E2 311.0521 3.5E2 313.0580 1.5E2 315.0758 1.3E2 328.0973 1.7E2 328.6233 1.4E2 334.0065 1.1E2 364.9932 1.0E2 383.0707 1.5E2 468.0285 1.1E2 477.1449 1.3E2 609.8485 1.0E2 700.8076 1.2E2 END IONS BEGIN IONS FEATURE_ID=7895 PEPMASS=655.3477 SCANS=7895 RTINSECONDS=1474.078 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.4398 2.2E2 100.0883 1.1E2 200.4815 1.1E2 242.9366 1.4E2 251.1189 1.1E2 307.1073 1.1E2 419.1157 1.1E2 428.1873 1.0E2 433.2460 1.7E2 443.2348 1.1E2 449.2635 1.5E2 481.3368 2.4E2 490.9174 1.1E2 499.1412 1.4E2 518.1670 1.0E2 525.8565 1.4E2 527.0614 1.1E2 528.3235 2.4E2 551.9468 1.3E2 613.1696 2.4E2 655.1327 1.5E2 655.3469 2.1E3 655.6760 1.2E2 656.0663 1.8E2 656.3490 1.3E3 656.6043 1.3E2 656.9745 1.0E2 657.3476 2.3E2 END IONS BEGIN IONS FEATURE_ID=7901 PEPMASS=466.1726 SCANS=7901 RTINSECONDS=1476.985 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 66.0029 1.5E2 82.0284 1.8E2 85.0310 4.7E2 86.0316 1.2E2 87.0441 1.2E2 93.0459 1.1E2 99.9580 2.4E2 114.9755 1.0E2 130.0858 8.1E2 135.0414 1.1E2 146.0540 1.3E2 149.9653 1.7E2 156.1013 1.1E2 158.0796 2.3E2 161.0250 1.7E2 201.0153 1.5E2 206.1102 3.0E2 227.0356 1.0E2 260.1408 1.5E2 275.0205 1.2E2 304.1362 2.0E2 305.1326 1.9E2 317.0290 1.8E2 333.8861 2.1E2 359.9409 1.5E2 395.0989 1.7E2 964.9073 1.4E2 END IONS BEGIN IONS FEATURE_ID=7902 PEPMASS=343.0817 SCANS=7902 RTINSECONDS=1477.12 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 20 (0 removed due to low quality, 18 removed due to low cosine). 60.0547 1.7E2 69.0332 1.0E2 71.0117 1.3E2 72.9926 2.3E2 93.0352 2.1E2 107.0531 4.3E2 117.0308 1.0E2 119.0488 1.1E3 127.0729 1.6E2 133.0276 3.6E3 133.1303 1.3E2 134.0320 5.1E2 134.0415 2.7E2 134.0729 1.3E2 135.0448 2.2E3 135.0960 1.4E2 136.0444 1.4E2 161.0230 1.8E3 161.0648 1.1E2 162.0250 1.1E2 162.9517 1.1E2 163.0396 5.6E2 182.0586 1.3E2 198.1236 1.0E2 201.1079 1.4E2 208.9625 1.0E2 209.1162 2.6E2 END IONS BEGIN IONS FEATURE_ID=7906 PEPMASS=731.1608 SCANS=7906 RTINSECONDS=1480.437 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0199 2.1E2 94.0695 1.6E2 109.0292 2.2E2 129.8665 1.1E2 157.0248 1.5E2 203.0298 1.7E2 207.0229 1.3E2 229.0135 4.0E2 245.0419 1.3E2 251.0647 1.0E2 268.0554 1.1E2 269.0771 1.7E2 277.0580 1.5E2 293.0409 2.1E2 295.0589 4.5E2 311.0583 1.4E2 312.0493 1.4E2 313.0655 1.0E3 314.0787 2.4E2 321.0510 1.8E2 337.0375 1.6E2 338.0294 1.8E2 339.0478 5.9E2 340.0559 2.4E2 397.0814 1.6E2 398.1051 2.1E2 457.0694 1.3E2 475.0999 1.3E2 544.1801 1.7E2 918.3030 1.0E2 END IONS BEGIN IONS FEATURE_ID=7941 PEPMASS=983.2799 SCANS=7941 RTINSECONDS=1496.723 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 94.9241 1.4E2 145.0293 8.1E2 146.0290 3.7E2 162.1940 1.4E2 163.0375 2.1E2 178.0613 1.1E2 205.0464 1.5E2 233.0876 1.1E2 247.0560 1.6E2 297.1021 1.6E2 307.0774 1.2E2 309.1052 1.2E2 323.0858 1.5E2 333.1362 2.4E2 337.1159 1.1E2 341.1041 1.1E2 367.0791 5.0E2 368.0769 1.1E2 409.0806 1.9E2 467.1318 1.5E2 469.1419 9.0E2 470.1349 2.8E2 471.1376 1.1E2 483.1289 1.2E2 485.1404 1.3E2 509.1289 1.1E2 608.1979 1.5E2 635.1785 1.0E2 647.1980 2.0E2 664.1796 1.8E2 793.2274 1.8E3 793.4149 1.0E2 793.5057 1.1E2 794.2494 3.7E2 794.4944 1.1E2 809.2089 2.4E2 810.2053 1.3E2 837.2145 7.6E2 838.2385 1.0E2 845.7393 1.2E2 879.2155 1.1E2 916.1247 1.7E2 939.3155 2.3E2 940.2878 1.1E2 983.2926 1.8E2 END IONS BEGIN IONS FEATURE_ID=7947 PEPMASS=737.1117 SCANS=7947 RTINSECONDS=1497.427 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 65.9536 1.1E2 135.0344 2.1E2 135.0455 1.6E2 203.0328 2.3E2 208.0482 1.5E2 219.0242 2.7E2 235.0323 1.1E2 263.0475 1.1E2 265.0407 1.9E2 265.0583 1.6E2 266.0321 1.1E2 271.0484 2.0E2 287.0317 1.7E2 291.0534 1.1E2 311.0455 1.3E2 314.0672 1.5E2 336.3695 1.3E2 337.0334 9.2E3 337.1978 4.6E2 337.2395 1.8E2 337.2917 1.3E2 338.0354 3.0E3 338.1729 1.5E2 338.3457 1.6E2 339.0494 2.1E2 339.0578 1.0E2 342.2264 1.8E2 355.0542 1.0E2 359.0166 1.2E3 359.0961 1.3E2 360.0285 1.4E2 360.1211 1.2E2 377.0185 1.4E2 379.9832 1.0E2 397.0111 1.0E2 415.0677 1.0E2 591.0185 1.2E2 774.0638 1.0E2 END IONS BEGIN IONS FEATURE_ID=7958 PEPMASS=715.1306 SCANS=7958 RTINSECONDS=1502.393 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9935 1.4E2 92.9319 1.5E2 144.4744 1.5E2 157.1216 1.4E2 179.0430 2.2E2 185.0352 1.0E2 265.0487 3.2E2 280.0313 1.8E2 291.0251 2.6E2 321.0516 1.6E2 337.0369 1.3E4 338.0394 3.2E3 338.1172 1.5E2 338.2142 1.0E2 339.0460 9.9E2 340.2154 1.1E2 357.0715 1.0E2 393.9757 1.4E2 473.0945 1.1E2 517.0761 1.1E3 518.0914 4.8E2 519.1123 1.3E2 536.1069 1.1E2 715.1217 1.8E2 717.1358 1.2E2 END IONS BEGIN IONS FEATURE_ID=7966 PEPMASS=466.1718 SCANS=7966 RTINSECONDS=1509.381 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.0117 1.3E2 91.0387 1.9E2 102.9560 2.3E2 114.0498 1.1E2 130.0937 1.8E2 164.9217 1.6E2 191.0431 2.3E2 218.9322 1.6E2 290.1213 1.8E2 297.1147 1.5E2 304.1409 1.2E3 305.1371 2.3E2 305.8724 1.5E2 315.3532 1.0E2 330.0634 1.3E2 374.1815 1.3E2 381.0959 1.1E2 406.1707 1.2E2 408.1497 1.1E2 450.1580 1.3E2 466.1652 5.9E2 467.0190 1.3E2 467.2123 3.9E2 468.2140 1.3E2 675.2703 2.3E2 995.5156 1.2E2 END IONS BEGIN IONS FEATURE_ID=7973 PEPMASS=559.2934 SCANS=7973 RTINSECONDS=1509.381 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 101.0246 1.4E2 112.9835 1.3E2 113.0218 1.3E2 185.0741 1.0E2 209.0695 1.1E2 292.0434 1.4E2 315.1193 1.2E2 325.2017 2.7E2 327.2109 3.0E2 334.0215 1.6E2 342.8377 1.3E2 424.8492 1.0E2 432.8243 1.9E2 460.0717 1.4E2 495.1649 1.2E2 501.1203 1.1E2 502.2437 1.1E2 523.2456 1.5E2 523.3516 1.6E2 525.3329 1.4E2 560.0109 1.0E2 561.1741 2.2E2 562.3040 2.1E2 END IONS BEGIN IONS FEATURE_ID=7976 PEPMASS=419.0537 SCANS=7976 RTINSECONDS=1509.691 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 72.9950 1.3E2 89.0245 1.2E2 98.2457 1.2E2 101.0263 1.3E2 128.0016 1.7E2 128.0368 1.9E2 135.0443 2.6E3 135.7484 1.0E2 138.9993 1.3E2 145.0256 2.2E2 145.0493 1.5E2 151.0361 1.0E2 159.0452 2.2E2 179.0404 1.4E2 197.0439 4.8E2 198.0400 1.9E2 198.0520 1.2E2 201.1010 1.3E2 201.7000 1.1E2 203.0335 8.1E3 203.1378 1.9E2 203.1450 1.6E2 203.1650 1.8E2 203.2715 1.5E2 204.0381 1.6E3 206.9453 1.2E2 223.0172 1.4E2 227.9227 1.0E2 275.1519 2.1E2 292.0382 1.4E2 292.0972 1.0E2 301.1477 1.1E2 329.0533 1.9E2 337.2668 1.3E2 338.0295 1.6E2 349.2015 1.3E2 357.9627 1.1E2 370.9348 1.0E2 378.0316 1.3E2 381.0561 2.8E2 383.0741 5.3E3 383.1813 1.2E2 383.2056 1.1E2 383.2509 2.4E2 384.0758 9.1E2 384.0870 3.8E2 384.1678 1.0E2 385.0928 1.2E2 390.1555 1.3E2 394.9556 1.7E2 419.2208 1.7E2 419.2506 1.2E2 420.1374 1.3E2 421.2276 1.4E2 421.2420 1.1E2 422.2447 1.0E2 424.9822 2.7E2 445.0207 2.3E2 601.4479 1.1E2 858.8588 1.1E2 END IONS BEGIN IONS FEATURE_ID=7985 PEPMASS=383.0773 SCANS=7985 RTINSECONDS=1512.375 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (2 removed due to low quality, 4 removed due to low cosine). 71.0537 1.1E2 72.9937 1.1E3 93.0319 1.0E2 100.0228 1.9E2 123.0470 2.6E2 130.0397 1.2E2 131.0479 2.6E2 134.0398 1.7E2 135.0469 2.9E3 136.0490 3.1E2 141.0372 1.1E2 147.0283 1.6E2 155.3118 1.1E2 158.0375 1.1E2 159.0425 3.1E3 159.0936 1.3E2 160.0452 1.8E2 161.0135 1.1E2 161.0180 2.2E2 168.5177 1.3E2 178.0278 1.6E2 179.0255 1.7E2 179.0309 3.6E2 203.0314 2.5E2 203.0357 3.9E2 204.0425 1.1E2 219.0319 2.5E2 265.0615 1.4E2 266.0573 1.3E2 317.9437 1.2E2 330.1475 1.4E2 461.8388 2.6E2 871.1391 1.4E2 END IONS BEGIN IONS FEATURE_ID=7987 PEPMASS=357.0623 SCANS=7987 RTINSECONDS=1512.512 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9919 1.8E2 74.0311 1.7E2 77.0392 1.9E2 93.0335 1.5E2 109.0262 1.2E2 115.0391 1.6E2 128.0754 1.3E2 135.0434 8.2E2 136.0437 1.7E2 151.0500 1.5E2 158.8953 1.6E2 161.0277 4.9E2 164.9255 1.5E2 171.1020 2.7E2 174.9571 1.0E2 176.8630 1.3E2 179.0346 3.7E2 197.0413 3.5E2 203.0273 1.1E2 225.1080 2.2E2 231.9102 1.1E2 243.1151 2.7E2 252.1406 1.2E2 258.7666 2.6E2 270.0042 1.7E2 286.0271 1.5E2 295.0643 1.5E2 337.0346 1.2E3 338.0399 3.2E2 357.2310 1.1E2 359.1246 1.9E2 359.2209 1.6E2 552.0745 2.7E2 885.1151 1.3E2 END IONS BEGIN IONS FEATURE_ID=7988 PEPMASS=409.0703 SCANS=7988 RTINSECONDS=1512.512 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 125.0622 1.1E2 135.0433 1.8E3 155.0704 1.2E2 175.0389 5.0E2 176.0505 3.6E2 179.0323 6.9E2 193.0532 1.7E2 197.0443 1.6E3 198.0466 1.7E2 235.0821 1.1E2 261.8861 1.1E2 315.0172 1.7E2 337.0365 2.4E2 344.1197 1.0E2 366.1289 1.8E2 371.0758 2.5E2 392.9466 1.2E2 394.0504 1.2E2 453.0266 1.4E2 END IONS BEGIN IONS FEATURE_ID=7997 PEPMASS=199.1327 SCANS=7997 RTINSECONDS=1516.432 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.0964 1.1E2 117.9254 1.4E2 199.1334 3.9E2 200.1385 1.5E2 286.0778 1.6E2 928.8343 1.5E2 END IONS BEGIN IONS FEATURE_ID=7999 PEPMASS=548.0931 SCANS=7999 RTINSECONDS=1517.432 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.0575 1.1E2 89.0207 2.1E2 107.0511 3.0E2 109.0291 1.7E2 123.0457 1.1E2 135.0448 1.2E3 135.1297 1.2E2 136.0436 2.6E2 146.0387 1.6E2 147.0430 1.8E2 149.0213 1.7E2 159.0450 2.0E2 163.0320 1.1E2 173.0218 2.3E2 179.0376 1.4E2 197.0411 2.1E2 219.0206 1.1E2 229.0196 1.9E2 231.9134 1.3E2 267.0571 1.1E2 268.0725 1.7E2 269.0822 3.7E2 277.0460 2.1E2 289.0526 1.5E2 293.8043 1.2E2 294.0429 1.6E2 295.0604 1.1E3 296.0567 1.3E2 312.0610 2.1E2 313.0741 2.7E2 314.0772 1.8E2 323.0529 1.6E2 333.0456 1.1E2 335.0477 1.0E2 337.0407 1.2E2 339.0476 2.5E2 343.0235 1.8E2 351.0486 1.5E2 353.0598 3.9E2 361.0370 1.9E2 367.0482 1.2E2 379.0436 2.4E2 409.1163 1.3E2 END IONS BEGIN IONS FEATURE_ID=8001 PEPMASS=489.1036 SCANS=8001 RTINSECONDS=1519.014 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0032 1.0E2 115.0372 1.2E2 135.0404 3.6E2 148.9460 1.1E2 166.9238 1.4E2 211.0585 1.2E2 266.0149 1.2E2 275.0553 1.2E2 285.0397 2.2E3 285.1424 1.5E2 286.0406 6.9E2 312.0601 1.2E2 338.0334 1.9E2 376.8504 2.7E2 396.0795 1.3E2 398.1225 2.3E2 443.0356 1.5E2 460.1208 2.3E2 491.1015 1.2E2 491.2815 1.5E2 493.2770 1.2E2 604.0906 1.2E2 END IONS BEGIN IONS FEATURE_ID=8002 PEPMASS=555.1870 SCANS=8002 RTINSECONDS=1519.014 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 62.0639 2.7E2 92.9294 1.7E2 133.0259 1.5E2 136.0469 1.1E2 137.0242 1.6E2 142.9379 1.8E2 150.0282 7.4E2 152.0544 1.2E2 153.0533 1.3E2 154.0483 1.4E2 165.0549 1.1E3 178.0153 1.1E2 192.0358 1.0E2 212.0407 1.1E2 266.0961 1.4E2 267.0670 1.7E2 269.0245 1.2E2 281.0366 1.6E2 283.0435 1.1E2 285.0344 1.5E2 293.0340 2.5E2 295.0692 2.3E2 299.0421 2.0E2 311.0739 2.1E2 314.0749 4.4E2 314.2612 1.6E2 315.0793 2.5E2 337.0368 1.1E2 342.1011 1.1E2 355.1504 1.0E2 375.1040 1.1E2 514.1692 1.3E2 730.9100 1.1E2 END IONS BEGIN IONS FEATURE_ID=8005 PEPMASS=409.0687 SCANS=8005 RTINSECONDS=1520.127 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 120.2565 1.1E2 135.0447 1.5E3 136.0447 2.6E2 161.0190 5.2E2 175.0399 1.5E3 179.0339 8.1E2 193.0600 1.1E2 197.0417 1.1E3 197.1038 1.7E2 198.0496 2.2E2 217.9615 1.5E2 310.1581 1.2E2 337.0411 1.5E2 359.0138 1.5E2 373.0826 1.3E2 410.2619 1.1E2 412.9058 1.7E2 510.7238 1.8E2 END IONS BEGIN IONS FEATURE_ID=8020 PEPMASS=829.4407 SCANS=8020 RTINSECONDS=1523.557 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0272 2.8E2 89.0267 2.9E2 101.0255 2.3E2 113.0235 2.2E2 119.0318 3.6E2 134.8580 1.2E2 149.0401 2.9E2 162.0484 2.1E2 165.0523 1.3E2 165.1030 1.6E2 221.0567 1.7E2 259.1268 1.4E2 304.9965 2.3E2 332.9029 1.9E2 341.1120 2.2E2 344.2847 1.8E2 376.0585 1.3E2 431.0318 1.2E2 461.3308 1.9E2 485.1909 2.5E2 487.3328 1.4E2 505.3489 1.5E2 506.3235 2.4E2 507.3303 3.0E2 522.1248 2.2E2 526.9322 1.5E2 533.9136 1.1E2 602.2082 1.1E2 653.3982 1.3E2 667.3961 1.1E3 668.3855 2.7E2 669.4006 3.0E2 670.3852 2.1E2 733.8466 1.4E2 742.2909 1.6E2 829.4456 3.1E2 830.4472 1.6E2 831.4368 3.8E2 831.5588 1.0E2 832.4410 3.4E2 833.4458 1.3E2 850.0120 1.1E2 875.2495 1.1E2 END IONS BEGIN IONS FEATURE_ID=8022 PEPMASS=591.1633 SCANS=8022 RTINSECONDS=1524.825 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 93.0347 1.3E2 114.0503 1.3E2 145.0194 2.5E2 150.0321 2.9E2 165.0558 7.4E2 194.0531 1.8E2 252.9105 1.4E2 267.0746 1.1E2 283.0553 1.3E2 285.0361 2.0E2 293.2186 1.3E2 295.0547 1.2E2 314.0677 1.2E2 327.0708 1.1E2 329.0973 3.7E2 338.1301 2.1E2 341.0977 1.5E2 365.0644 1.2E2 366.9834 1.2E2 374.0018 1.3E2 477.1677 2.0E2 646.0780 1.7E2 926.2612 2.3E2 END IONS BEGIN IONS FEATURE_ID=8030 PEPMASS=433.1565 SCANS=8030 RTINSECONDS=1528.142 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 61.9893 2.0E2 135.0428 1.5E3 135.6099 1.0E2 136.0483 2.4E2 145.0563 1.1E2 161.0198 1.3E2 162.0529 1.1E2 179.0356 6.8E2 197.0419 1.1E3 198.0604 1.9E2 221.0796 5.0E2 221.1238 1.3E2 224.0241 1.1E2 233.0604 1.2E2 238.9825 3.2E2 263.0226 1.8E2 282.0336 1.4E2 298.1378 1.3E2 305.0626 1.1E2 353.1213 1.8E2 399.1470 1.7E2 402.1162 2.0E2 613.0061 1.6E2 END IONS BEGIN IONS FEATURE_ID=8038 PEPMASS=537.6057 SCANS=8038 RTINSECONDS=1531.116 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9945 5.0E2 109.0278 2.4E2 133.0308 1.4E2 135.0457 1.0E3 135.0993 1.1E2 163.0353 1.1E2 177.0198 1.4E2 179.0313 2.8E2 180.0472 1.1E2 195.0312 1.7E2 197.0447 2.0E3 198.0511 1.6E2 215.0199 1.7E2 225.0545 1.4E2 229.0156 2.0E2 237.0599 2.2E2 241.0455 1.4E2 243.0380 1.7E2 253.0457 2.0E2 267.0677 2.6E2 279.0507 1.6E2 280.0660 1.6E2 283.0615 2.9E2 284.0604 1.1E2 295.0628 8.3E2 296.0588 1.8E2 298.0509 1.0E2 326.5655 1.2E2 339.0543 7.7E2 340.0570 4.4E2 341.0633 2.9E2 353.0632 4.3E2 357.0640 1.5E3 357.1499 1.9E2 358.0624 6.2E2 359.0788 1.1E2 365.0652 2.8E2 438.0790 2.7E2 448.1025 1.1E2 475.1136 4.5E2 476.1014 1.6E2 519.0885 3.0E2 537.3405 2.1E2 538.0920 1.4E2 539.1545 1.3E2 539.3507 1.6E2 681.1184 1.9E2 END IONS BEGIN IONS FEATURE_ID=8050 PEPMASS=373.0924 SCANS=8050 RTINSECONDS=1536.374 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 22 (0 removed due to low quality, 21 removed due to low cosine). 72.9913 7.0E2 88.0325 2.5E2 102.9792 2.4E2 122.0363 3.0E2 123.0424 4.3E2 124.6979 1.0E2 125.0927 1.0E2 126.8798 1.3E2 134.0363 3.3E2 135.0439 6.4E2 136.0436 1.0E2 155.1036 1.6E2 160.0134 2.9E2 179.0296 1.1E2 193.0490 1.7E2 201.1141 1.9E2 208.8764 1.4E2 209.1132 1.9E2 214.8827 1.9E2 222.9445 1.2E2 720.8530 1.4E2 720.9217 1.1E2 END IONS BEGIN IONS FEATURE_ID=8053 PEPMASS=409.0694 SCANS=8053 RTINSECONDS=1537.671 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (6 removed due to low quality, 3 removed due to low cosine). 72.9951 5.3E2 73.9979 1.5E2 91.0530 2.0E2 109.0357 1.4E2 123.0460 1.7E2 132.0326 1.1E2 133.0277 1.6E2 134.0326 2.8E2 134.0637 1.4E2 135.0438 2.3E3 135.1504 1.3E2 136.0525 2.1E2 147.0492 1.3E2 160.0136 1.8E3 160.1285 1.3E2 161.0138 2.1E2 175.0391 6.1E2 177.0594 1.1E2 179.0322 2.0E2 180.0345 3.1E2 193.0463 2.0E2 197.0459 1.4E2 414.1833 1.1E2 END IONS BEGIN IONS FEATURE_ID=8057 PEPMASS=548.0942 SCANS=8057 RTINSECONDS=1538.699 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9933 7.8E2 92.9283 1.1E2 101.0218 1.8E2 109.0288 2.7E2 123.0432 3.2E2 135.0449 1.5E3 135.1524 1.2E2 136.0469 1.2E2 136.8506 1.1E2 145.0261 1.0E2 147.0457 2.7E2 151.0398 1.7E2 160.0429 1.1E2 163.0417 1.2E2 179.0377 1.5E2 197.0443 2.1E2 203.0307 4.1E2 211.0266 2.0E2 229.0173 2.7E2 261.0496 1.2E2 265.0422 1.2E2 266.0566 1.6E2 269.0771 1.5E2 280.0761 1.2E2 283.0560 2.6E2 289.0337 1.1E2 291.0579 1.9E2 295.0625 7.9E2 296.0633 1.5E2 313.0733 1.4E2 314.0214 1.3E2 314.0688 1.8E2 321.0433 1.1E2 335.0435 1.1E2 336.0695 1.6E2 339.0618 1.2E2 343.0145 2.5E2 354.0694 1.2E2 357.0649 1.2E2 367.9940 1.6E2 372.1763 1.6E2 458.1201 1.8E2 END IONS BEGIN IONS FEATURE_ID=8060 PEPMASS=441.0804 SCANS=8060 RTINSECONDS=1536.462 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 79.0503 1.5E2 83.2680 1.1E2 93.0331 5.1E2 93.0654 1.2E2 119.0446 2.4E2 130.9655 2.9E2 131.0427 1.4E2 133.0273 1.2E2 135.0433 4.4E3 135.1037 1.5E2 135.1493 2.7E2 136.0425 2.5E2 137.0194 1.5E2 137.0441 2.0E2 138.0885 1.0E2 165.0489 1.6E2 166.9305 1.1E2 170.8814 1.3E2 175.0375 1.6E2 177.0398 2.7E2 178.0268 1.7E2 179.0313 2.4E2 185.0173 1.2E2 193.0470 4.3E2 193.0518 1.5E2 197.8884 1.4E2 201.1099 1.2E2 207.0641 1.4E2 215.0791 1.4E2 285.0409 1.0E2 295.0204 1.6E2 307.0113 1.0E2 325.0541 1.4E2 337.0319 2.7E2 338.9709 1.6E2 345.0660 1.3E2 355.0157 1.0E2 359.0085 2.3E2 369.1680 1.1E2 387.0521 2.4E2 396.0770 1.8E2 408.0957 1.1E2 442.2317 1.6E2 443.2720 1.1E2 492.1923 1.3E2 492.9767 1.0E2 511.0184 1.2E2 512.6997 1.1E2 725.9013 1.3E2 975.8663 1.4E2 END IONS BEGIN IONS FEATURE_ID=8065 PEPMASS=537.6041 SCANS=8065 RTINSECONDS=1541.052 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9910 7.6E2 80.3287 1.0E2 109.0294 3.5E2 110.0229 1.5E2 123.0418 4.3E2 123.0706 1.4E2 134.0378 1.4E2 135.0434 1.5E3 135.1061 1.1E2 136.0393 1.5E2 137.0227 1.5E2 151.0403 1.1E2 152.0449 1.3E2 161.0244 5.1E2 170.1222 2.6E2 173.0261 1.5E2 179.0312 5.4E2 185.0176 3.7E2 191.0297 1.1E2 197.0515 1.8E2 213.0374 2.6E2 215.0152 1.1E2 219.0275 3.3E2 229.0154 3.9E2 230.0189 3.4E2 241.0479 1.5E2 252.0331 1.2E2 254.4633 1.3E2 267.0732 3.4E2 269.0866 1.4E2 277.0535 1.3E2 278.0475 2.3E2 283.0552 7.8E2 294.0438 1.1E2 294.6131 1.1E2 295.0547 9.7E2 296.0576 3.1E2 297.0558 2.3E2 307.0484 2.7E2 310.0774 1.0E2 321.0714 2.1E2 339.0403 4.2E2 340.0507 2.4E2 357.0608 2.3E2 365.0604 2.2E2 400.0250 1.1E2 504.1723 1.2E2 END IONS BEGIN IONS FEATURE_ID=8088 PEPMASS=497.1814 SCANS=8088 RTINSECONDS=1560.461 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.2094 1.3E2 71.0148 3.2E2 78.9617 1.3E2 81.0360 1.1E2 83.0156 1.4E2 89.0223 2.5E2 161.0357 2.6E2 164.9228 1.3E2 180.0395 2.3E2 206.1304 1.5E2 234.9122 1.5E2 284.8467 1.0E2 375.0732 1.4E2 408.1804 1.2E2 452.7253 1.5E2 END IONS BEGIN IONS FEATURE_ID=8089 PEPMASS=971.3521 SCANS=8089 RTINSECONDS=1560.461 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0104 2.5E2 125.0169 1.3E2 140.3554 1.3E2 149.0611 1.9E2 163.0348 1.6E2 165.0554 7.4E2 168.8322 1.7E2 195.0627 1.5E3 196.0783 1.1E2 327.0373 1.2E2 383.0219 1.2E2 387.1489 1.3E2 417.1579 3.3E2 565.2015 2.2E2 566.2015 2.1E2 587.0573 1.0E2 613.2074 2.8E2 613.2589 1.1E2 629.4276 2.0E2 630.9898 1.3E2 638.7325 1.1E2 699.0911 1.1E2 713.2664 1.6E2 714.2319 1.8E2 761.2728 1.1E2 791.2907 1.2E2 794.3182 1.2E2 802.2690 1.1E2 852.3379 1.1E2 971.3746 1.0E2 974.2586 1.5E2 END IONS BEGIN IONS FEATURE_ID=8105 PEPMASS=576.1263 SCANS=8105 RTINSECONDS=1575.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 133.0311 2.6E2 135.0496 1.6E2 149.0288 1.2E2 161.0232 2.7E2 162.0310 1.6E2 179.0374 4.5E2 197.0486 1.6E2 219.0350 1.7E2 321.9687 1.1E2 341.0625 3.1E3 341.2309 1.3E2 342.0670 8.2E2 343.0862 1.8E2 359.0877 2.9E2 397.0819 1.5E2 530.2555 1.8E2 540.1516 1.0E3 541.1604 3.4E2 541.2189 1.0E2 542.1563 1.7E2 578.1391 1.1E2 579.2943 1.7E2 END IONS BEGIN IONS FEATURE_ID=8153 PEPMASS=711.0989 SCANS=8153 RTINSECONDS=1587.007 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9939 3.2E2 109.0287 1.1E3 111.0056 1.1E2 133.0262 2.5E2 135.0387 1.2E2 141.0660 1.3E2 149.0555 1.9E2 151.0421 2.5E2 157.0317 1.7E2 173.0174 1.4E2 177.0196 1.3E2 179.0370 1.5E2 185.0244 8.9E2 203.0290 2.3E2 219.0310 2.1E2 219.0808 1.6E2 221.0541 3.5E2 224.0430 1.9E2 245.4844 1.3E2 249.0523 2.1E2 251.0367 1.3E2 263.0345 2.9E2 265.0506 4.4E2 266.0507 1.3E2 267.0645 7.5E2 269.0409 2.0E2 269.0824 1.1E2 275.0243 1.8E2 277.0536 1.6E2 279.0295 3.4E2 280.0346 3.5E2 291.0222 2.4E2 292.0381 1.5E2 293.0431 2.8E3 293.1608 1.7E2 293.2044 1.2E2 294.0434 2.8E2 295.0569 9.3E2 307.0209 1.6E2 310.0928 1.3E2 311.0502 7.4E2 311.1014 1.4E2 313.0689 1.8E2 319.0235 9.7E2 320.0169 1.6E2 321.0397 1.9E3 322.0485 1.3E2 323.0564 1.3E2 333.0311 1.7E2 335.0613 1.6E2 337.0359 1.5E3 337.1171 1.7E2 337.1500 1.0E2 338.0409 1.3E2 339.0521 4.9E2 341.0437 1.7E2 382.0872 1.2E2 382.9861 1.2E2 443.0751 1.7E2 444.0873 1.5E2 489.1022 1.8E2 693.1543 1.1E2 742.4685 1.2E2 END IONS BEGIN IONS FEATURE_ID=8161 PEPMASS=737.1121 SCANS=8161 RTINSECONDS=1589.8 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 82.5041 1.0E2 109.0309 5.4E2 135.0397 1.2E2 147.0441 1.9E2 159.0447 4.3E2 160.0127 1.3E2 173.0177 2.0E2 185.0249 1.0E3 185.0899 1.4E2 186.0340 5.4E2 201.0144 1.6E2 203.0284 2.1E2 212.1412 1.5E2 219.0263 8.3E2 219.0679 1.4E2 225.0513 1.9E2 266.0655 1.2E2 269.0792 2.8E2 269.1238 1.1E2 277.0419 1.8E2 279.0312 1.4E2 291.0658 5.4E3 291.1986 2.4E2 291.2768 1.3E2 292.0676 9.3E2 293.0415 1.9E2 295.0640 1.7E3 295.1674 1.2E2 296.0636 4.4E2 300.0342 1.5E2 301.0116 9.4E2 311.0538 1.9E2 313.0786 1.8E2 314.0666 2.4E2 315.0296 1.3E2 317.0438 9.2E2 319.4623 1.2E2 321.0421 1.0E3 321.1246 1.6E2 323.0411 1.4E2 333.0384 1.4E2 335.0529 5.9E3 335.2197 3.8E2 335.2648 1.8E2 335.8295 1.0E2 336.0565 9.7E2 336.1700 1.0E2 336.2667 1.1E2 337.0329 7.8E2 337.1196 1.2E2 339.0521 3.9E2 341.0324 1.1E2 343.0308 2.8E2 344.0161 1.4E2 354.0277 1.4E2 361.0373 1.2E3 361.1511 1.1E2 362.0281 1.9E2 379.0442 1.4E3 380.0572 3.2E2 409.1554 1.0E2 439.0463 1.3E2 449.0814 1.1E2 453.0913 1.3E2 469.0821 1.7E2 470.1001 1.2E2 472.0945 1.7E2 479.0660 1.6E2 504.4274 2.8E2 514.0766 1.8E2 515.0960 1.1E3 516.0988 6.1E2 517.0691 2.0E2 544.1803 1.2E2 559.0827 3.6E2 659.5407 1.0E2 END IONS BEGIN IONS FEATURE_ID=8163 PEPMASS=715.1309 SCANS=8163 RTINSECONDS=1592.08 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9959 7.3E2 108.0246 1.3E2 109.0290 1.3E3 109.0777 1.5E2 110.0350 1.2E2 123.0449 3.9E2 135.0422 3.8E2 151.0360 1.0E2 157.0252 1.3E2 159.0515 2.3E2 161.0163 1.2E2 165.6669 1.1E2 173.0224 5.4E2 177.0522 1.2E2 179.0331 2.2E2 184.6984 1.0E2 185.0234 2.2E3 185.1492 1.9E2 186.0277 8.6E2 197.0418 5.9E2 203.0349 3.2E2 203.1090 1.8E2 212.0187 1.8E2 225.0577 1.5E2 229.0116 1.1E2 230.0030 2.0E2 232.0574 1.0E2 236.0410 1.5E2 248.0380 3.0E2 249.0513 1.5E2 252.0428 4.2E2 253.0529 2.8E2 269.0836 1.0E2 277.0514 1.7E3 277.1075 1.3E2 278.0528 5.1E2 279.0309 1.3E3 280.0303 7.6E2 281.0357 2.1E2 291.0756 3.1E2 292.0433 1.0E2 293.0449 1.4E3 294.0478 2.9E2 295.0600 5.0E3 296.0668 8.5E2 296.2628 1.5E2 303.0278 3.7E2 307.0584 1.6E2 311.0748 1.3E2 313.0712 2.3E2 314.0872 1.0E2 319.0315 2.4E2 320.0404 1.4E2 321.0413 1.9E4 321.8626 2.3E2 322.0456 3.6E3 322.6767 1.2E2 322.8344 1.4E2 322.9294 1.2E2 323.0519 3.0E2 323.1102 1.2E2 324.0812 1.1E2 335.1233 1.6E2 337.0364 2.2E2 338.0386 1.9E2 339.0519 6.7E3 340.0521 1.3E3 340.1500 1.7E2 341.0604 1.0E2 341.1873 1.1E2 360.0217 1.1E2 363.0503 1.6E2 448.1080 1.8E2 449.1012 1.3E2 519.0939 2.2E2 520.0777 1.8E2 END IONS BEGIN IONS FEATURE_ID=8165 PEPMASS=761.1070 SCANS=8165 RTINSECONDS=1592.706 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0340 1.6E2 133.0277 1.5E2 135.0403 1.5E2 158.0328 1.5E2 289.0487 3.1E2 291.0737 6.1E2 292.0622 1.2E2 298.0145 1.3E2 321.0371 3.6E2 334.0282 2.2E2 335.0461 3.7E2 336.7852 1.1E2 337.0622 1.1E2 349.0984 1.8E2 357.0382 4.2E2 383.0410 1.2E2 401.0255 6.0E2 402.0127 1.9E2 501.4064 1.1E2 507.0542 1.4E2 518.0347 1.0E2 537.0902 2.2E2 561.0427 1.3E2 581.0711 3.9E2 582.0731 1.9E2 633.0290 1.1E2 END IONS BEGIN IONS FEATURE_ID=8178 PEPMASS=611.3272 SCANS=8178 RTINSECONDS=1595.048 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0162 1.0E2 85.0276 2.6E2 89.0235 2.5E2 131.0907 1.7E2 186.0767 1.6E2 221.0881 1.2E2 232.1130 1.3E2 246.0251 1.1E2 260.0759 1.3E2 287.2268 3.2E2 289.1802 1.1E2 296.8161 1.7E2 318.9304 1.5E2 327.2099 1.5E2 346.8408 1.3E2 349.5258 1.3E2 362.9368 1.0E2 402.2591 2.6E2 411.7174 2.1E2 432.1466 1.4E2 449.2723 9.4E2 452.9190 1.4E2 611.3324 5.1E2 612.3302 2.7E2 860.0134 1.1E2 END IONS BEGIN IONS FEATURE_ID=8193 PEPMASS=795.2645 SCANS=8193 RTINSECONDS=1598.054 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 112.9858 2.4E2 179.0669 1.1E2 209.0832 1.2E2 233.1230 1.1E2 398.8355 1.9E2 512.1492 1.4E2 595.0269 1.2E2 597.2419 2.3E2 598.2323 1.5E2 647.9561 1.8E2 669.4241 1.7E2 692.1533 2.3E2 759.2660 1.3E2 795.2598 6.0E2 796.2644 4.9E2 796.4041 1.1E2 796.4751 1.1E2 797.2592 2.9E2 797.3340 1.1E2 798.2550 3.3E2 798.3135 1.3E2 799.1412 1.1E2 972.0019 1.0E2 END IONS BEGIN IONS FEATURE_ID=8195 PEPMASS=519.0927 SCANS=8195 RTINSECONDS=1598.314 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 72.9924 3.0E2 89.0215 1.1E2 110.0309 2.7E2 111.0342 1.5E2 135.0441 2.7E2 136.0592 1.7E2 161.0156 1.1E2 173.0360 1.6E2 185.0227 3.7E2 186.0292 1.1E2 193.0668 1.6E2 219.3912 1.0E2 237.0451 1.0E2 249.0501 1.4E2 251.0376 1.3E2 267.0630 3.0E2 271.1601 2.2E2 277.0461 4.6E2 279.0258 8.0E2 280.0389 2.2E2 293.0481 1.5E2 295.0546 6.8E2 304.0271 1.4E2 321.0367 5.7E2 322.0397 3.2E2 339.0440 2.3E2 764.5417 1.3E2 END IONS BEGIN IONS FEATURE_ID=8197 PEPMASS=269.0453 SCANS=8197 RTINSECONDS=1598.98 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 63.0267 1.7E2 65.0039 5.7E2 65.0232 2.1E2 89.0407 1.1E2 107.0326 1.3E2 117.0354 1.6E3 121.0332 1.4E2 227.0330 1.5E2 253.0653 1.2E2 667.3026 1.0E2 END IONS BEGIN IONS FEATURE_ID=8207 PEPMASS=739.1258 SCANS=8207 RTINSECONDS=1599.991 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 109.0304 5.6E2 126.0124 1.5E2 129.0274 1.1E2 133.0091 1.1E2 135.0411 1.5E2 155.9692 1.0E2 161.0524 1.3E2 185.0243 3.9E2 187.0320 1.2E2 191.0281 2.0E2 204.0398 1.1E2 206.0461 1.5E2 219.0220 2.2E2 219.0289 3.8E2 220.0172 1.7E2 225.0149 1.4E2 232.0183 2.1E2 250.0624 2.6E2 269.0861 2.1E2 269.5883 1.3E2 271.0615 1.3E2 277.0421 1.0E2 291.0630 4.7E3 291.1708 1.4E2 292.0693 9.6E2 294.0362 1.1E2 295.0608 7.9E2 296.0476 1.1E2 301.0115 1.4E2 306.0806 1.0E2 313.0782 2.3E2 317.0445 6.5E2 318.0473 1.7E2 321.0266 1.0E2 321.0347 2.6E2 333.0302 1.1E2 335.0536 5.2E3 335.1563 1.6E2 336.0599 7.5E2 343.0160 1.1E2 344.0175 1.6E2 361.0290 6.3E2 379.0436 9.1E2 380.0543 2.1E2 380.0651 1.0E2 382.0520 1.5E2 432.0398 2.7E2 434.0980 1.6E2 471.0929 1.1E2 498.0743 1.0E2 515.0881 6.5E2 515.0999 3.3E2 516.0871 2.3E2 516.1069 3.0E2 559.0800 1.6E2 559.0919 3.1E2 560.0959 1.2E2 652.8894 2.0E2 740.3627 1.5E2 END IONS BEGIN IONS FEATURE_ID=8212 PEPMASS=713.1127 SCANS=8212 RTINSECONDS=1601.267 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9911 3.7E2 87.0227 1.8E2 93.0295 1.7E2 109.0279 3.4E3 109.5068 1.1E2 109.8393 1.0E2 123.0456 2.3E2 129.0276 1.8E2 133.0308 1.1E2 135.0431 6.9E2 149.0202 4.9E2 151.0435 1.2E2 151.7156 1.3E2 157.0326 2.0E2 159.0387 1.8E2 159.0486 1.8E2 173.0226 3.2E2 177.0170 2.1E2 179.0258 2.0E2 179.0365 7.8E2 184.0164 3.2E2 185.0204 4.6E3 185.0879 3.2E2 185.1316 1.9E2 185.1831 1.4E2 186.0274 4.9E2 186.0617 1.4E2 193.0602 3.1E2 195.0233 1.4E2 196.0414 1.1E2 197.0433 1.3E3 203.0384 3.3E2 213.0120 1.8E2 215.0602 1.1E2 219.0468 1.0E2 220.0441 1.3E2 224.0585 1.6E2 230.0127 1.7E2 235.1954 1.5E2 237.0344 1.4E2 239.0676 1.9E2 239.7386 1.0E2 247.0352 3.2E2 248.0428 2.6E2 249.0523 9.4E2 250.0253 3.1E2 251.0275 3.8E2 252.0211 1.9E2 258.9493 1.1E2 265.0405 1.9E2 266.0500 2.0E2 267.0632 7.5E2 267.1387 1.2E2 269.0714 1.2E2 269.0776 1.7E2 270.0914 1.1E2 275.0327 1.5E2 276.0399 1.9E2 277.0472 1.9E3 277.0596 1.8E2 279.0300 1.9E3 279.1243 1.5E2 280.0367 1.1E3 291.0226 1.7E2 292.0487 1.3E2 293.0461 4.7E3 293.1494 1.1E2 294.0437 4.1E2 294.0500 4.1E2 294.1273 1.1E2 295.0602 9.2E3 295.2495 1.9E2 295.2586 1.0E2 295.9677 1.5E2 296.0639 1.6E3 296.1227 1.7E2 303.0295 2.7E2 307.0591 1.1E2 309.0430 2.4E2 311.0590 4.8E2 312.0555 2.0E2 313.0674 3.1E2 317.0372 1.9E2 317.8992 1.1E2 319.0257 2.3E3 319.1806 1.2E2 320.0307 5.8E2 320.0986 1.6E2 321.0403 3.6E4 321.7948 2.2E2 322.0451 1.9E3 322.1821 1.1E2 322.3558 1.4E2 322.9320 1.1E2 323.0377 4.4E2 328.0820 2.3E2 335.7144 1.6E2 335.7735 1.1E2 337.0341 1.4E3 337.8263 1.2E2 339.0521 1.4E4 339.2208 2.7E2 339.4408 1.4E2 339.6070 1.1E2 339.6877 1.7E2 339.7332 1.1E2 340.0575 1.1E3 340.2222 1.7E2 340.7131 1.1E2 340.7394 1.1E2 343.0076 1.7E2 343.8242 1.0E2 352.0565 1.0E2 354.0936 2.0E2 363.0479 2.6E2 371.0376 1.3E2 389.0579 1.2E2 421.5800 1.1E2 429.0934 1.2E2 447.1118 2.4E2 448.1262 1.2E2 473.0864 3.7E3 473.2852 1.4E2 474.1048 4.4E2 474.3481 1.1E2 474.6932 1.2E2 475.1092 3.0E2 477.2187 1.2E2 489.0849 1.7E2 490.0734 1.1E2 491.0945 5.3E2 492.1105 2.4E2 493.1137 1.3E3 494.1165 3.4E2 516.0567 1.8E2 517.0818 1.7E3 517.2751 1.1E2 518.0742 3.9E2 519.0945 1.7E4 520.0974 1.0E3 520.1584 2.9E2 520.2555 1.0E2 520.8491 1.3E2 521.0884 1.5E2 521.1722 1.0E2 535.1027 1.6E2 537.1063 3.7E2 537.1758 1.1E2 598.2862 1.5E2 663.0810 1.1E2 679.4515 1.4E2 695.0717 1.4E2 714.0988 1.0E2 715.1386 4.0E2 717.1413 5.8E2 718.2449 1.2E2 761.1084 1.0E2 END IONS BEGIN IONS FEATURE_ID=8218 PEPMASS=625.1353 SCANS=8218 RTINSECONDS=1601.267 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 127.8640 1.0E2 146.6751 1.3E2 269.0357 1.6E2 279.0242 1.1E2 294.0445 1.8E2 299.1077 1.1E2 319.0609 2.4E2 321.0487 8.9E2 322.0419 1.8E2 339.0497 8.3E2 339.7032 1.1E2 340.0475 2.9E2 351.0559 1.3E2 405.0740 2.4E2 428.1595 2.6E2 469.7950 1.4E2 473.0854 1.8E3 473.2817 1.2E2 474.0914 4.1E2 475.0852 1.6E2 569.9506 1.2E2 625.0522 1.0E2 628.1989 2.0E2 867.4552 1.1E2 END IONS BEGIN IONS FEATURE_ID=8219 PEPMASS=711.0949 SCANS=8219 RTINSECONDS=1601.878 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (6 removed due to low quality, 1 removed due to low cosine). 72.9944 2.2E2 91.0521 1.9E2 109.0295 6.7E2 109.0698 1.0E2 109.1122 1.0E2 135.0431 4.9E2 149.0270 1.6E2 151.0350 3.7E2 177.0158 3.4E2 179.0360 1.3E2 185.0226 1.3E3 186.0314 4.7E2 193.0096 1.9E2 220.9715 1.2E2 221.0586 1.3E2 239.0674 1.0E2 240.1389 1.1E2 249.0554 3.3E2 251.0218 1.3E2 251.0737 2.2E2 265.0556 2.0E2 267.0568 4.9E2 269.0756 1.3E2 276.0362 1.6E2 277.0460 2.6E2 279.0280 5.2E2 280.0317 2.1E2 291.0299 1.8E2 292.5774 1.0E2 293.0454 2.7E3 293.1336 3.2E2 293.2008 1.3E2 293.6561 1.0E2 294.0479 4.2E2 295.0607 1.4E3 295.1513 1.1E2 295.6980 1.3E2 296.0599 2.4E2 311.0503 2.0E2 312.0568 1.8E2 319.0267 1.7E3 320.0317 3.0E2 321.0401 4.3E3 321.2056 1.3E2 323.0592 1.3E2 337.0303 5.1E2 339.0504 1.9E3 344.9957 1.7E2 423.2928 1.3E2 489.1039 1.1E2 517.0685 2.0E2 647.9999 1.3E2 END IONS BEGIN IONS FEATURE_ID=8220 PEPMASS=672.1418 SCANS=8220 RTINSECONDS=1602.488 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 88.6754 2.8E2 91.6642 1.5E2 150.0275 1.6E2 159.0384 2.1E2 186.0237 3.0E2 235.0769 1.2E2 243.0273 1.5E2 249.0227 1.7E2 250.0483 1.4E2 268.0661 1.9E2 276.0361 1.5E2 278.0581 1.8E2 279.0433 2.4E2 280.0307 1.6E2 281.0216 2.0E2 293.0402 1.1E2 295.0606 4.2E2 296.0576 5.6E2 321.0358 9.5E2 321.1098 1.3E2 322.0337 1.2E3 323.0517 2.5E2 339.0416 1.5E2 340.0472 3.7E2 340.0881 1.2E2 474.0794 1.2E2 577.9713 1.4E2 END IONS BEGIN IONS FEATURE_ID=8232 PEPMASS=740.1295 SCANS=8232 RTINSECONDS=1604.204 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 159.0416 3.3E2 167.7292 1.1E2 179.0371 2.2E2 185.0215 1.2E2 186.0208 1.1E2 220.0308 4.9E2 291.0629 1.2E3 292.0673 1.1E3 293.0470 3.4E2 295.0668 1.5E2 302.0190 1.5E2 313.0683 1.2E2 317.0490 2.1E2 318.0601 1.0E2 319.0511 1.1E2 321.0349 1.2E2 335.0526 7.8E2 336.0561 5.4E2 337.0556 2.9E2 343.0158 1.1E2 361.0393 2.3E2 362.0370 1.3E2 380.0425 5.0E2 473.0839 2.0E2 515.0961 3.1E2 516.0865 3.4E2 517.0889 2.0E2 END IONS BEGIN IONS FEATURE_ID=8238 PEPMASS=671.1394 SCANS=8238 RTINSECONDS=1605.92 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0276 1.6E2 185.0235 2.6E2 186.0326 2.8E2 213.0153 1.3E2 243.0289 3.6E2 249.0542 1.8E2 277.0529 3.4E2 278.0414 1.7E2 293.0502 5.0E2 295.0612 5.2E2 296.0583 4.0E2 312.0579 2.2E2 321.0385 2.4E3 321.2017 1.5E2 322.0384 1.2E3 323.0484 3.1E2 339.0525 8.0E2 340.0501 7.8E2 366.0596 1.7E2 394.0741 1.2E2 429.1088 1.3E2 END IONS BEGIN IONS FEATURE_ID=8249 PEPMASS=667.3898 SCANS=8249 RTINSECONDS=1607.32 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0138 6.7E2 71.0401 1.8E2 83.0141 4.3E2 89.0223 2.1E2 101.0245 2.5E2 111.0093 2.0E2 113.0243 3.5E2 159.0375 1.2E2 161.0480 1.6E2 162.0439 1.4E2 309.0664 1.1E2 310.0367 1.8E2 343.2717 2.3E2 361.0692 1.2E2 402.1102 1.2E2 454.2557 1.3E2 487.3333 1.0E2 505.3417 1.0E2 506.3470 1.5E2 507.3594 2.1E2 577.3184 1.2E2 667.3800 2.1E2 668.3985 1.8E2 669.3718 1.9E2 END IONS BEGIN IONS FEATURE_ID=8258 PEPMASS=737.1115 SCANS=8258 RTINSECONDS=1608.504 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0408 1.4E2 185.0269 1.1E2 240.0006 1.2E2 251.7346 1.0E2 270.0825 2.1E2 290.0447 1.7E2 291.0616 9.2E2 292.0753 1.7E2 293.0554 2.3E2 295.0597 4.5E2 296.0646 2.3E2 299.0130 1.1E2 311.0509 3.0E2 313.0718 1.2E2 317.0426 4.3E2 317.0988 1.6E2 321.0403 3.3E2 321.1168 1.3E2 334.0338 1.6E2 335.0520 2.6E3 336.0567 2.5E2 339.0538 2.3E2 339.6693 1.4E2 343.0177 2.7E2 361.0293 1.8E3 362.0426 1.4E2 362.7140 1.2E2 363.0358 1.7E2 379.0396 9.0E2 380.0253 1.1E2 381.0541 1.7E2 399.0750 1.3E2 420.0463 2.0E2 429.0988 1.0E2 461.0184 1.6E2 470.0996 1.5E2 495.0499 1.3E2 496.0765 2.8E2 506.1869 1.1E2 513.0831 3.1E2 515.0943 5.6E3 515.2955 2.2E2 515.3883 1.4E2 515.5659 1.2E2 515.8303 1.3E2 515.8907 1.7E2 516.0968 1.8E3 516.2254 2.0E2 517.0737 1.8E2 519.0861 2.4E2 539.0909 1.2E2 541.0713 1.6E3 541.2740 1.2E2 541.7108 1.1E2 542.0742 5.1E2 542.9628 1.8E2 543.0977 1.4E2 557.0519 3.1E2 558.0693 2.5E2 559.0827 5.4E3 560.0820 1.8E3 560.5110 1.9E2 561.0832 1.6E2 567.0587 1.7E2 575.0381 1.8E2 663.0640 2.0E2 677.1495 1.2E2 695.1333 9.3E2 696.1384 3.0E2 696.2663 1.7E2 737.1232 1.8E2 737.3586 1.4E2 738.1154 1.1E2 739.1264 3.8E3 739.3573 1.7E2 739.4240 1.4E2 739.5127 1.4E2 740.1268 1.1E3 740.3413 2.3E2 740.7769 1.0E2 740.9339 1.4E2 741.1287 3.7E2 742.1304 1.8E2 779.0795 1.3E2 END IONS BEGIN IONS FEATURE_ID=8265 PEPMASS=703.3660 SCANS=8265 RTINSECONDS=1610.477 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0153 1.1E2 89.0259 3.4E2 101.0241 2.1E2 152.0353 1.3E2 167.1079 2.4E2 179.0581 2.7E2 181.0519 2.6E2 232.0604 1.1E2 285.1264 1.7E2 327.1310 1.3E2 388.3218 1.4E2 448.1425 1.3E2 667.3827 5.8E2 853.8580 1.3E2 END IONS BEGIN IONS FEATURE_ID=8292 PEPMASS=519.0927 SCANS=8292 RTINSECONDS=1616.001 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 109.0332 1.8E2 135.0450 2.6E2 161.0212 1.6E2 166.0129 1.4E2 173.0297 1.3E2 185.0223 2.5E2 239.0731 2.8E2 249.0595 1.5E2 251.0335 3.1E2 267.0635 1.1E2 275.0365 2.2E2 280.0437 1.7E2 292.0308 2.9E2 293.0448 2.7E2 295.0557 5.9E2 303.0304 2.1E2 321.0439 5.7E2 342.8969 2.0E2 493.2385 1.7E2 END IONS BEGIN IONS FEATURE_ID=8296 PEPMASS=679.3678 SCANS=8296 RTINSECONDS=1617.064 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 89.0198 1.5E2 91.0260 1.7E2 99.0121 1.1E2 101.0240 1.2E2 160.0147 1.1E2 228.0480 1.1E2 300.0318 1.1E2 314.0452 1.3E2 315.0476 7.1E2 355.0777 1.5E2 359.1185 1.8E2 421.1680 1.4E2 431.0944 1.2E2 441.9766 1.0E2 474.3279 1.1E2 481.2515 1.0E2 485.3368 1.5E2 517.3179 2.6E3 518.3220 8.8E2 519.3260 3.5E2 531.3257 1.6E2 532.3174 1.2E2 559.3315 2.3E2 560.3383 2.8E2 643.2521 2.1E2 770.8894 1.1E2 868.7321 1.2E2 927.2690 2.2E2 END IONS BEGIN IONS FEATURE_ID=8309 PEPMASS=341.1954 SCANS=8309 RTINSECONDS=1620.5 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0309 1.7E2 78.9563 2.0E2 83.0493 1.5E2 87.0526 2.7E2 99.0453 2.1E2 102.1822 1.1E2 115.0775 1.1E2 116.0711 3.4E2 125.0942 1.8E2 130.8926 1.5E2 132.9004 1.1E2 135.0795 1.1E2 138.9207 1.4E2 139.0746 3.4E2 141.0866 2.0E2 142.9886 1.3E2 146.8599 1.6E2 150.8876 1.0E2 158.8883 1.5E2 161.0241 2.8E2 169.9777 1.5E2 171.1075 1.9E2 183.1376 2.3E2 185.8933 1.5E2 201.1148 4.3E2 202.1171 1.2E2 209.1200 6.4E2 213.1090 2.3E2 216.8891 1.9E2 226.0713 2.3E2 227.1228 1.2E2 235.1401 5.2E2 237.1412 1.2E2 238.8118 2.3E2 244.0015 1.3E2 279.1936 1.5E2 309.1922 1.5E2 313.0323 1.3E2 341.1958 1.4E2 343.1393 1.8E2 343.2128 9.2E2 344.2111 1.0E2 345.2289 3.8E2 345.3291 1.1E2 640.6557 1.3E2 758.7637 1.2E2 766.1383 1.9E2 END IONS BEGIN IONS FEATURE_ID=8310 PEPMASS=981.2651 SCANS=8310 RTINSECONDS=1620.5 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 61.9913 1.2E2 92.9303 1.3E2 111.7883 1.1E2 134.8588 1.1E2 143.1661 1.1E2 148.9069 1.3E2 165.0482 1.6E2 212.9402 1.3E2 222.8839 1.4E2 265.0663 1.7E2 311.5725 1.5E2 312.0756 1.4E2 320.1238 1.4E2 322.0503 1.0E2 336.0171 2.0E2 350.0451 1.4E2 365.0647 9.0E3 365.2350 4.2E2 365.3009 1.0E2 365.3371 1.0E2 366.0625 2.1E3 366.0735 5.9E2 366.1740 1.2E2 367.0727 1.0E3 374.8470 1.3E2 387.1378 1.6E2 408.1121 1.2E2 408.5043 1.0E2 445.2132 1.7E2 451.1204 1.2E2 469.1370 1.5E2 471.1359 1.2E2 500.6092 2.1E2 512.1002 1.2E2 546.5020 1.2E2 547.2463 1.3E2 585.0741 1.4E2 596.0190 1.5E2 632.6115 1.6E2 639.2496 1.7E2 655.1648 1.3E2 745.0780 2.0E2 785.4028 1.3E2 789.1305 1.2E2 812.1967 1.4E2 835.2034 1.4E3 836.2103 5.3E2 836.2487 1.4E2 837.2044 4.1E2 935.2288 1.4E2 971.2717 1.1E2 981.2655 3.0E3 981.4527 3.3E2 981.5466 1.6E2 981.7235 1.4E2 982.2635 1.8E3 982.5495 1.1E2 982.6097 1.3E2 983.2661 5.6E2 983.3955 1.2E2 983.5995 1.8E2 984.1551 1.1E2 984.3138 1.6E2 984.4579 1.8E2 END IONS BEGIN IONS FEATURE_ID=8318 PEPMASS=740.1292 SCANS=8318 RTINSECONDS=1620.854 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0282 1.3E2 173.0231 1.6E2 219.0246 1.1E2 247.0970 1.2E2 277.0495 1.3E2 291.0579 8.9E2 291.1434 1.3E2 292.0625 6.4E2 293.0637 2.4E2 295.0613 3.0E2 321.0307 1.3E2 323.0290 1.3E2 335.0530 4.3E2 336.0528 3.4E2 339.0519 1.6E2 340.0531 1.4E2 343.0112 1.1E2 361.0464 1.6E2 362.0287 1.4E2 379.0424 3.7E2 380.0433 2.6E2 387.0894 1.6E2 430.2103 1.0E2 439.0412 1.1E2 517.0728 1.4E2 541.0741 1.3E2 723.2428 1.0E2 END IONS BEGIN IONS FEATURE_ID=8337 PEPMASS=761.1077 SCANS=8337 RTINSECONDS=1625.573 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 133.0309 2.2E2 159.0372 1.8E2 165.0478 1.2E2 173.0230 1.3E2 180.0327 1.3E2 201.0156 1.4E2 219.0290 2.3E2 289.0124 1.1E2 290.0511 1.9E2 291.0644 9.3E2 292.0645 1.7E2 292.1738 1.1E2 293.0517 1.2E2 301.0069 1.1E2 331.0472 1.2E2 335.0458 3.7E2 335.1025 1.2E2 336.0543 1.3E2 340.0769 1.1E2 343.0169 1.2E2 357.0287 4.3E2 361.0407 4.6E2 384.0074 1.0E2 385.0315 1.3E2 401.0170 4.8E2 401.0726 1.2E2 402.0163 2.8E2 492.0862 2.4E2 493.0738 1.9E2 503.0618 1.4E2 520.0686 1.2E2 537.0605 2.5E2 538.0317 1.0E2 581.0682 2.0E2 END IONS BEGIN IONS FEATURE_ID=8340 PEPMASS=209.1172 SCANS=8340 RTINSECONDS=1627.396 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.0155 1.2E2 96.9436 2.7E2 100.9539 2.0E2 136.9292 1.8E2 137.4900 1.3E2 191.0651 1.3E2 616.4262 1.4E2 END IONS BEGIN IONS FEATURE_ID=8366 PEPMASS=164.9268 SCANS=8366 RTINSECONDS=1630.628 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 74.9283 1.6E2 75.9633 1.7E2 76.9483 3.7E2 92.9015 1.1E2 700.3367 1.0E2 END IONS BEGIN IONS FEATURE_ID=8370 PEPMASS=740.1282 SCANS=8370 RTINSECONDS=1632.759 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 151.0390 2.4E2 186.0307 1.6E2 203.0198 1.7E2 269.0739 1.5E2 291.0608 7.5E2 292.0665 1.1E3 292.1381 2.0E2 292.1733 1.5E2 292.2247 1.4E2 295.0599 5.0E2 295.0964 1.2E2 296.0617 1.3E2 297.0587 1.7E2 301.0280 1.0E2 335.0555 9.7E2 335.1422 1.1E2 336.0541 6.2E2 336.1462 1.1E2 337.0610 2.9E2 361.0287 2.1E2 379.0481 3.0E2 380.0594 1.1E2 418.0199 1.1E2 432.0565 1.2E2 434.0759 4.7E2 435.0601 3.2E2 453.0934 1.8E2 472.1309 1.4E2 515.0959 3.7E2 516.0944 5.1E2 559.0715 1.3E2 743.1956 1.1E2 END IONS BEGIN IONS FEATURE_ID=8375 PEPMASS=715.1296 SCANS=8375 RTINSECONDS=1632.941 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 72.9947 1.0E3 109.0288 3.6E3 109.0939 1.3E2 109.1234 1.2E2 110.0319 1.6E2 121.0323 1.7E2 123.0442 1.9E2 135.0376 1.2E2 135.0430 1.7E3 135.0991 1.1E2 137.0249 1.0E2 149.0301 1.1E2 157.0253 2.1E2 158.0331 1.0E2 159.0489 1.9E2 161.0245 1.8E2 173.0218 1.7E2 174.0290 1.0E2 175.0333 1.6E2 177.0137 1.8E2 179.0369 6.3E2 184.0112 2.4E2 185.0237 7.7E3 185.1117 1.9E2 185.1497 1.8E2 186.0260 9.5E2 186.0307 6.0E2 186.0716 1.5E2 186.1491 1.1E2 188.0331 1.2E2 189.0181 1.3E2 193.0444 1.5E2 197.0436 1.6E3 201.0084 1.2E2 203.0293 1.1E2 205.0106 2.6E2 209.0551 1.8E2 213.0133 1.7E2 221.0578 7.9E2 221.4761 1.1E2 223.0524 1.4E2 225.0550 7.3E2 225.0992 1.1E2 229.0052 1.5E2 229.0122 3.4E2 230.0295 1.1E2 233.0495 1.4E2 239.0722 1.7E2 240.0653 2.0E2 249.0518 1.2E3 250.0550 3.1E2 251.0361 2.8E2 253.0520 3.6E2 254.0520 1.2E2 259.0380 2.3E2 263.0746 1.5E2 264.0455 1.2E2 265.0447 1.7E2 265.0500 4.2E2 266.0495 2.3E2 267.0631 9.5E2 268.0748 1.5E2 269.0685 2.8E2 275.0354 2.6E2 276.0415 1.2E2 277.0490 4.1E3 277.1310 1.7E2 277.1968 1.2E2 278.0567 1.8E2 279.0295 5.2E3 279.1633 1.6E2 279.1806 1.6E2 279.2421 1.1E2 280.0276 2.7E2 280.0364 1.9E3 280.1231 1.1E2 280.1367 1.0E2 280.2339 1.3E2 289.0472 1.2E2 291.0122 1.1E2 292.0371 1.2E2 293.0423 5.2E3 293.1542 2.2E2 293.1951 1.1E2 294.0470 8.8E2 294.0571 1.7E2 295.0609 1.3E4 295.1584 2.3E2 295.6430 1.2E2 295.8566 1.1E2 295.9304 1.1E2 296.0620 2.3E3 296.1267 2.1E2 296.2776 1.0E2 303.0314 5.6E2 304.0388 3.9E2 307.0616 1.9E2 311.0509 1.8E2 311.0622 1.0E2 313.0622 2.6E2 319.0182 5.9E2 319.0258 1.1E2 320.0276 4.5E2 320.0430 1.4E2 321.0395 7.2E4 321.2006 1.6E3 322.0421 1.2E4 322.1631 1.8E2 322.2088 1.2E2 322.3787 1.0E2 322.4649 1.7E2 322.5574 1.5E2 322.7929 1.3E2 322.9271 1.1E2 323.0442 1.3E3 323.2353 1.2E2 337.0280 3.1E2 337.0370 2.0E2 338.0292 1.2E2 339.0497 2.4E4 340.0517 4.4E3 340.1652 1.8E2 340.2153 1.0E2 340.3081 1.2E2 340.4346 1.1E2 341.0622 1.9E2 367.8219 1.3E2 397.0493 2.0E2 409.0571 1.0E2 448.2371 2.0E2 472.6587 1.1E2 473.0824 6.5E2 474.0935 1.2E2 475.0878 1.2E2 475.1031 2.6E2 491.0997 1.9E2 493.1144 7.5E2 495.1098 1.3E2 517.0691 6.3E2 519.0926 2.7E4 520.0963 6.9E3 520.8920 2.8E2 521.0411 1.0E2 521.0943 8.2E2 521.1228 1.0E2 521.2036 2.4E2 536.0929 1.6E2 537.0994 7.7E2 538.0995 1.5E2 538.1944 1.4E2 621.4108 1.5E2 671.1535 2.9E2 674.1307 1.5E2 717.1465 9.2E2 718.1422 1.6E2 END IONS BEGIN IONS FEATURE_ID=8397 PEPMASS=739.1265 SCANS=8397 RTINSECONDS=1636.418 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 8 (0 removed due to low quality, 4 removed due to low cosine). 65.0386 2.6E2 77.0359 1.2E2 109.0276 1.9E3 110.0279 1.2E2 123.0396 1.5E2 135.0400 3.1E2 135.0442 2.6E2 136.0546 1.6E2 147.0403 1.5E2 159.0386 4.8E2 159.0432 1.0E3 159.0508 3.0E2 173.0207 1.3E2 174.5013 1.0E2 180.0315 1.2E2 185.0155 2.5E2 185.0218 1.3E3 185.0555 1.4E2 186.0244 1.9E2 191.0298 1.1E2 201.0092 3.6E2 201.0127 1.3E2 203.0269 1.4E2 203.0400 1.8E2 204.0282 1.1E2 219.0220 6.1E2 219.0295 5.5E2 220.0248 1.1E2 235.2021 1.4E2 253.0417 1.9E2 266.0490 2.7E2 266.0892 1.1E2 267.0722 1.2E2 269.0785 1.0E3 269.0889 1.6E2 270.1038 1.5E2 291.0624 7.8E3 291.1600 1.5E2 291.2143 2.7E2 291.2973 1.3E2 291.3951 1.0E2 292.0580 3.6E2 292.0625 9.2E2 292.0727 1.8E2 293.0578 2.6E2 294.0683 1.4E2 295.0626 1.8E3 296.0537 3.7E2 301.0069 1.9E2 301.0156 1.5E2 303.1457 1.2E2 312.0592 1.9E2 313.0382 1.1E2 313.0655 2.7E2 317.0386 1.2E3 318.0400 1.3E2 321.0383 1.2E2 334.0449 1.5E2 335.0506 1.2E4 335.6448 1.0E2 336.0583 2.2E3 336.1169 1.3E2 337.0607 2.6E2 339.0430 6.6E2 340.0373 1.0E2 340.0527 1.5E2 343.0224 8.5E2 344.0266 1.3E2 353.0446 1.6E2 355.9847 1.5E2 361.0318 2.1E3 361.1056 1.6E2 362.0331 1.3E2 363.0307 1.5E2 363.0626 2.6E2 373.2821 1.0E2 378.9800 1.5E2 379.0398 1.6E3 379.0461 4.2E2 379.0563 2.8E2 379.1377 1.0E2 380.0416 7.4E2 401.7258 1.7E2 432.0263 1.5E2 465.0392 1.0E2 471.0962 2.1E2 471.8739 1.1E2 473.0753 1.1E2 482.0313 1.1E2 515.0903 2.0E3 516.0913 8.4E2 517.0746 1.2E2 517.0958 2.7E2 517.1081 1.2E2 541.0635 1.1E2 553.8625 1.2E2 559.0654 7.2E2 559.0811 1.4E2 559.1334 1.6E2 560.0739 2.1E2 561.1075 1.1E2 563.0928 1.1E2 581.0726 1.1E2 END IONS BEGIN IONS FEATURE_ID=8408 PEPMASS=358.0679 SCANS=8408 RTINSECONDS=1637.678 CHARGE=1- MSLEVEL=2 72.9931 1.9E3 73.0737 1.1E2 74.0256 1.0E2 109.0333 1.2E2 123.0408 2.2E2 135.0441 1.1E3 135.0742 2.2E2 136.0571 1.2E2 152.1878 1.0E2 161.0232 3.1E2 169.1242 1.1E2 179.0339 3.9E2 180.0385 2.2E2 186.0263 1.7E2 195.0538 1.4E2 197.0472 8.7E2 198.0557 1.5E2 241.0857 1.7E2 277.0477 3.9E2 280.0477 1.9E2 281.0423 2.1E2 295.0668 7.1E2 321.0416 1.1E3 321.1386 1.7E2 322.0448 1.7E2 322.1633 1.1E2 324.0506 1.1E2 339.0516 9.6E2 340.0548 1.2E2 522.6784 2.1E2 END IONS BEGIN IONS FEATURE_ID=8420 PEPMASS=740.1304 SCANS=8420 RTINSECONDS=1639.854 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 219.0264 2.4E2 291.0687 2.8E2 292.0668 2.2E2 295.0541 1.8E2 321.0426 2.3E2 335.0483 4.2E2 336.0502 3.1E2 339.0435 1.3E2 362.0370 2.5E2 515.0977 3.4E2 516.1016 8.1E2 517.1169 1.6E2 542.0914 1.2E2 559.0780 6.1E2 560.0966 1.3E3 561.0708 2.5E2 597.4355 1.1E2 670.1227 1.6E2 696.1430 1.2E2 697.1759 1.1E2 740.1193 6.1E2 741.1354 2.5E2 741.3901 1.3E2 770.0529 1.8E2 END IONS BEGIN IONS FEATURE_ID=8424 PEPMASS=731.1238 SCANS=8424 RTINSECONDS=1639.979 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9935 1.1E2 109.0269 6.1E2 135.0431 2.0E2 137.0230 1.5E2 158.0380 1.4E2 179.2990 1.3E2 184.0117 2.2E2 185.0245 6.3E2 197.0446 1.8E2 247.0388 1.1E2 248.0389 1.9E2 266.0496 2.6E2 267.0606 3.3E2 277.0400 1.9E2 279.0283 3.0E2 280.0395 1.1E2 283.0506 2.7E2 291.0281 1.9E2 293.0442 5.9E2 295.0597 1.0E3 295.1551 1.0E2 296.0552 3.7E2 309.0337 1.6E2 320.0310 2.7E2 321.0364 1.8E3 322.0437 2.7E2 333.0092 1.2E2 337.0370 1.6E2 339.0438 9.0E2 352.0025 1.2E2 353.0338 3.3E2 371.0280 1.8E2 482.0183 1.0E2 END IONS BEGIN IONS FEATURE_ID=8428 PEPMASS=711.0906 SCANS=8428 RTINSECONDS=1640.219 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 105.0356 1.1E2 109.0287 5.4E2 133.0274 6.7E2 145.0163 1.4E2 149.0194 5.1E2 150.0206 2.9E2 151.0454 1.6E2 158.0316 2.6E2 159.0369 2.1E2 161.0189 1.1E2 179.0288 1.9E2 185.0217 1.1E3 185.1946 1.1E2 185.3073 1.5E2 185.4844 1.1E2 186.0227 1.8E2 191.0423 1.0E2 197.0425 4.2E2 203.0337 1.9E2 209.0655 1.0E2 219.0458 1.1E2 225.0509 2.1E2 237.0373 1.8E2 239.0501 1.2E2 241.0404 1.6E2 247.0395 2.9E2 249.0562 1.4E2 250.0493 1.8E2 263.0348 3.6E2 264.0298 1.0E2 265.0449 2.5E2 267.0640 2.5E2 268.0603 1.1E2 269.0849 1.4E2 275.0326 2.5E2 276.0410 1.9E2 277.0459 9.3E2 278.6036 1.1E2 279.0283 3.2E2 280.0461 1.0E2 291.0270 4.5E2 293.0440 2.1E3 294.0409 6.2E2 295.0588 2.2E3 304.0260 1.8E2 307.0570 1.1E2 311.0523 5.0E2 319.0256 1.2E3 319.1191 1.4E2 320.0260 4.4E2 321.0356 3.6E3 321.1558 2.1E2 321.1964 1.9E2 322.0437 1.9E2 335.8530 1.7E2 337.0396 1.7E2 339.0457 1.7E3 339.2048 1.1E2 340.0450 2.9E2 340.1103 1.0E2 364.0519 1.1E2 399.0690 1.8E2 403.0225 1.9E2 428.0746 1.5E2 433.1022 1.1E2 517.0631 1.0E2 890.3229 1.2E2 END IONS BEGIN IONS FEATURE_ID=8432 PEPMASS=341.1960 SCANS=8432 RTINSECONDS=1640.545 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0401 2.4E2 66.0449 2.6E2 83.0527 1.9E2 94.0012 1.8E2 97.0338 2.3E2 99.0439 2.0E2 111.0795 1.6E2 113.0615 2.3E2 138.9193 1.9E2 141.0914 1.3E2 148.1000 2.1E2 181.1184 2.1E2 181.8652 2.6E2 199.1333 2.6E2 269.1176 2.6E2 END IONS BEGIN IONS FEATURE_ID=8434 PEPMASS=672.1420 SCANS=8434 RTINSECONDS=1641.25 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (2 removed due to low quality, 4 removed due to low cosine). 69.6910 1.1E2 72.9936 1.0E2 109.0288 8.6E2 110.0353 2.2E2 135.0393 2.6E2 157.0302 1.1E2 173.0186 1.4E2 185.0265 4.0E2 186.0250 2.9E2 203.0304 1.8E2 213.0051 1.7E2 225.0616 1.3E2 229.0122 2.0E2 235.0292 1.5E2 239.0281 1.1E2 239.0777 1.2E2 249.0538 3.3E2 253.0259 1.4E2 265.0369 1.0E2 276.0249 1.2E2 277.0454 3.2E2 279.0314 1.6E2 279.0440 1.1E2 280.0273 3.9E2 280.0376 3.2E2 280.0802 1.1E2 281.0381 1.3E2 293.0402 2.8E2 294.0470 6.2E2 294.0850 1.1E2 295.0580 4.1E2 296.0587 9.5E2 297.0620 1.3E2 303.0280 1.3E2 304.0344 1.4E2 321.0387 2.7E3 322.0449 2.8E3 323.0521 2.7E2 323.0622 1.5E2 324.0462 1.5E2 339.0462 8.2E2 340.0491 6.8E2 342.0583 1.2E2 474.0880 6.3E2 474.1483 1.1E2 564.0241 1.2E2 857.7031 1.4E2 858.9438 1.2E2 END IONS BEGIN IONS FEATURE_ID=8448 PEPMASS=519.0924 SCANS=8448 RTINSECONDS=1643.848 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 74.0266 2.3E2 109.0331 4.4E2 174.0210 1.0E2 185.0259 2.5E2 186.0237 2.4E2 187.0372 1.8E2 250.0490 4.3E2 251.0314 3.4E2 252.0346 1.3E2 265.0496 1.4E2 277.0497 2.7E2 278.0503 1.8E2 279.0269 7.6E2 280.0273 5.7E2 293.0415 4.9E2 319.0237 1.6E2 321.0379 1.1E3 322.0374 1.9E2 455.1150 1.1E2 END IONS BEGIN IONS FEATURE_ID=8469 PEPMASS=717.1423 SCANS=8469 RTINSECONDS=1647.35 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (6 removed due to low quality, 5 removed due to low cosine). 108.0190 1.9E2 109.0303 6.8E2 184.0146 1.3E2 185.0210 8.5E2 186.0286 3.0E2 197.0487 1.1E2 224.0343 1.2E2 249.0571 1.7E2 250.0300 1.3E2 277.0473 3.5E2 278.0579 1.6E2 279.0281 7.2E2 280.0334 4.6E2 293.0413 6.1E2 293.1650 1.0E2 293.9993 1.4E2 294.0478 1.7E2 295.0627 1.6E3 296.0704 1.5E2 298.0692 1.7E2 312.4959 2.6E2 314.0665 1.7E2 321.0376 7.1E3 321.1306 6.1E2 321.1997 4.2E2 321.7379 1.1E2 322.0405 1.6E3 322.1222 2.1E2 323.0404 1.1E2 324.0507 1.3E2 339.0470 2.2E3 339.2176 1.4E2 340.0545 5.9E2 340.1136 1.7E2 END IONS BEGIN IONS FEATURE_ID=8474 PEPMASS=669.1212 SCANS=8474 RTINSECONDS=1647.77 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.9638 1.4E2 145.0278 1.1E2 185.0240 3.4E2 193.0590 1.4E2 219.0129 1.3E2 229.0050 1.6E2 248.0521 2.2E2 267.0681 1.6E2 277.0400 2.2E2 277.0895 1.0E2 279.0321 3.5E2 280.0401 1.7E2 281.0482 1.4E2 293.0648 3.4E2 295.0625 3.3E2 296.0481 2.3E2 321.0350 6.6E3 321.1336 4.6E2 321.1975 2.8E2 321.5077 1.0E2 322.0414 1.4E3 322.1438 1.0E2 322.6574 1.3E2 325.1369 1.1E2 337.0458 1.0E2 339.0455 4.3E3 339.2137 1.5E2 339.3203 1.1E2 340.0542 2.5E2 341.0497 1.1E2 351.0294 1.2E2 354.0552 1.1E2 362.0246 1.3E2 363.0412 1.2E2 429.0866 2.3E2 447.1036 2.3E2 448.1010 1.2E2 449.1082 1.1E2 473.0817 6.2E3 473.2192 3.5E2 473.2829 2.5E2 474.0870 1.7E3 474.6863 1.1E2 475.0985 3.8E2 476.0873 2.9E2 481.7622 1.3E2 491.0806 2.2E2 518.0687 1.8E2 519.0855 4.3E3 519.2285 2.7E2 519.2890 1.6E2 519.3399 1.3E2 519.4111 1.1E2 520.0901 7.7E2 521.0886 1.0E2 532.5165 1.9E2 556.2339 1.3E2 619.5883 2.3E2 669.1261 1.3E2 669.3083 1.0E2 671.1517 1.4E2 END IONS BEGIN IONS FEATURE_ID=8476 PEPMASS=671.1386 SCANS=8476 RTINSECONDS=1648.527 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (1 removed due to low quality, 4 removed due to low cosine). 109.0254 3.0E2 135.0429 1.2E2 185.0225 4.1E2 186.0198 1.5E2 225.0500 1.1E2 242.0132 2.3E2 248.0487 1.2E2 249.0504 3.8E2 250.0496 1.2E2 266.0701 1.2E2 277.0434 4.1E2 278.0600 1.9E2 279.0356 2.7E2 280.0226 1.4E2 281.0357 1.2E2 293.0459 2.0E2 295.0573 5.4E2 297.0610 1.0E2 303.0239 1.7E2 321.0354 2.5E3 321.1441 2.2E2 321.1958 1.6E2 322.0376 7.5E2 339.0450 2.6E2 340.0450 3.1E2 340.1087 1.6E2 340.1436 1.0E2 END IONS BEGIN IONS FEATURE_ID=8481 PEPMASS=711.0986 SCANS=8481 RTINSECONDS=1649.284 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 105.0367 1.4E2 109.0296 1.2E3 109.0860 1.0E2 110.4101 1.2E2 121.0255 1.6E2 133.0299 3.2E2 135.0121 2.0E2 149.0242 1.1E2 150.0258 1.2E2 151.0374 6.0E2 159.0419 5.4E2 159.0765 1.6E2 173.0255 2.6E2 177.0185 1.0E2 179.0383 3.9E2 185.0208 2.0E3 186.0291 1.6E2 195.0335 2.7E2 197.0501 1.7E2 221.0473 1.2E2 222.0587 1.7E2 223.0763 1.1E2 225.0453 1.1E2 232.0547 1.1E2 235.0446 1.2E2 236.0398 2.3E2 237.0519 6.6E2 237.1019 1.1E2 249.0523 5.1E2 250.0342 1.6E2 252.0489 2.7E2 255.0668 2.6E2 263.0453 4.1E2 265.0509 4.1E2 267.0636 5.1E2 268.0762 1.0E2 269.0752 1.5E2 274.0210 1.3E2 275.0420 1.7E2 276.0425 1.7E2 277.0460 9.4E2 278.0540 1.6E2 279.0300 1.3E3 280.0412 1.1E2 291.0326 2.9E2 292.0333 3.8E2 293.0457 3.3E3 293.1466 2.2E2 293.7873 1.1E2 294.0449 4.0E2 294.1357 1.7E2 295.0615 1.9E3 303.0255 1.5E2 311.0506 8.4E2 311.1109 1.2E2 319.0239 1.8E3 319.3676 1.1E2 320.0228 3.4E2 321.0426 2.9E3 321.2072 1.4E2 322.0351 1.7E2 322.5426 1.1E2 323.0410 1.6E2 337.0318 4.6E2 339.0496 2.6E3 339.2138 1.1E2 367.0517 1.0E2 381.0761 1.1E2 411.0886 1.4E2 485.0336 1.8E2 491.0954 1.9E2 END IONS BEGIN IONS FEATURE_ID=8482 PEPMASS=718.1486 SCANS=8482 RTINSECONDS=1649.284 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0289 4.7E2 135.0444 2.5E2 185.0166 3.3E2 186.0304 3.8E2 197.0381 1.8E2 198.0344 2.2E2 240.0759 1.3E2 249.0399 1.2E2 251.0699 1.8E2 252.0455 2.0E2 253.0333 1.5E2 266.0454 1.7E2 277.0468 2.5E2 278.0506 2.4E2 279.0306 2.7E2 281.0330 1.7E2 293.0489 2.6E2 294.0496 3.6E2 295.0545 5.0E2 296.0613 7.2E2 303.0397 1.2E2 304.0345 1.4E2 310.5307 1.1E2 313.3530 1.3E2 321.0400 2.4E3 322.0437 2.5E3 323.0469 5.5E2 339.0476 8.1E2 339.1084 1.2E2 340.0512 1.1E3 341.0494 2.1E2 342.0912 1.3E2 END IONS BEGIN IONS FEATURE_ID=8484 PEPMASS=505.1844 SCANS=8484 RTINSECONDS=1649.68 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0132 2.1E2 119.9434 2.1E2 149.0440 1.3E2 219.8385 1.6E2 259.1241 1.2E2 267.1074 1.2E3 268.1165 3.6E2 268.8771 1.3E2 269.1204 1.3E2 270.9703 1.5E2 299.0796 1.3E2 300.0862 1.3E2 304.8136 1.5E2 305.1742 2.0E2 318.8783 1.4E2 325.1183 2.8E2 327.0442 1.0E2 353.1063 1.5E2 414.1317 1.3E2 422.8606 1.1E2 432.2877 1.2E2 473.1490 2.2E2 505.1749 6.8E2 505.2493 2.5E2 506.0892 1.8E2 506.1864 1.1E2 END IONS BEGIN IONS FEATURE_ID=8506 PEPMASS=667.1393 SCANS=8506 RTINSECONDS=1654.661 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 84.0189 2.7E2 92.0221 2.6E2 102.0322 1.6E2 105.0366 1.2E2 109.0286 1.5E3 110.0358 1.4E2 123.0463 3.5E2 124.0462 1.4E2 129.0219 1.5E2 135.0455 1.3E2 141.0650 1.6E2 145.0270 1.0E2 149.0285 2.3E2 150.0587 1.5E2 151.0379 7.2E2 173.0384 1.3E2 176.9819 1.3E2 177.9905 2.6E2 179.0322 3.3E2 180.4524 1.3E2 185.0244 2.1E3 185.1157 1.1E2 186.0287 4.5E2 189.0184 1.5E2 193.0654 1.2E2 201.0157 2.7E2 201.0232 2.5E2 212.0096 1.5E2 221.0621 1.5E2 222.0259 1.9E2 225.0598 1.0E2 226.0587 1.6E2 229.0201 5.5E2 233.0538 2.0E2 234.0250 1.3E2 240.0354 1.3E2 241.0483 1.0E2 241.0551 1.7E2 247.9812 1.1E2 248.0425 1.3E2 249.0557 9.4E2 250.0612 1.0E2 251.0334 4.2E2 251.0607 1.7E2 251.0710 1.5E2 252.0324 1.9E2 253.0105 2.1E2 253.0333 2.1E2 253.0483 1.5E2 254.0304 1.7E2 255.0304 1.5E2 260.0515 1.3E2 264.0427 1.7E2 265.0498 3.8E2 266.0588 1.2E2 267.0698 2.4E2 268.0587 1.0E2 269.0702 1.5E2 270.0090 1.2E2 275.0352 2.6E2 275.0725 1.1E2 276.0445 1.4E2 277.0503 3.6E3 277.1619 1.5E2 277.2032 1.4E2 279.0335 1.6E3 279.1643 1.4E2 280.0334 8.5E2 280.0490 1.3E2 280.0974 1.2E2 280.8558 1.7E2 281.0049 3.2E2 282.0791 2.2E2 283.0240 2.3E2 289.6883 1.8E2 291.0294 1.3E2 292.0318 1.6E2 293.0480 3.9E3 293.2064 1.4E2 294.0528 2.8E2 294.0861 2.0E2 295.0616 7.1E3 295.1659 3.1E2 295.2055 1.0E2 295.2580 1.5E2 296.0532 1.9E2 296.0621 3.5E2 298.0109 2.7E2 302.0359 1.5E2 303.0338 2.2E2 303.1916 2.0E2 304.0470 1.5E2 306.0538 1.3E2 306.7509 1.1E2 308.0347 1.1E2 309.0898 1.2E2 317.0512 1.3E2 319.0286 1.9E2 319.0622 4.8E2 320.0658 1.9E2 321.0420 1.9E4 321.2031 2.9E2 321.2476 2.3E2 321.3096 1.2E2 321.4267 1.1E2 321.5675 1.1E2 321.7334 1.4E2 321.8130 1.1E2 322.0453 2.1E3 322.1327 1.9E2 322.1967 1.0E2 323.0462 2.2E2 326.0132 4.7E2 327.0171 4.1E2 327.0240 1.1E2 328.0174 1.4E2 329.0308 1.1E2 335.0530 1.7E2 337.0430 1.1E2 339.0515 1.1E4 339.2171 5.1E2 339.2602 1.5E2 339.7417 1.0E2 340.0475 2.6E2 340.0546 5.9E2 340.2722 1.5E2 340.6150 1.1E2 340.7321 1.3E2 351.0533 2.6E2 352.0414 1.7E2 353.0603 1.5E2 363.0522 4.9E2 363.1065 1.3E2 365.0659 2.6E2 379.0428 1.5E2 403.1157 1.1E2 408.0114 2.7E2 415.2034 1.2E2 427.0956 1.3E2 429.1047 5.1E2 429.5988 1.2E2 430.0911 1.4E2 445.0978 1.6E2 447.1053 4.8E2 447.1546 1.1E2 471.0722 3.7E2 473.0878 9.5E3 473.2861 5.0E2 473.3360 2.6E2 473.4064 2.5E2 473.6458 1.0E2 473.7872 1.2E2 474.0962 1.0E3 474.2387 1.1E2 474.8957 1.3E2 475.0862 1.5E2 475.1268 1.1E2 489.0668 1.5E2 490.0721 1.2E2 490.0961 1.1E2 491.0948 1.2E2 506.3266 1.1E2 507.0958 2.3E2 517.0770 4.9E2 518.0904 2.7E2 519.0932 3.8E3 519.3095 1.3E2 519.4675 1.1E2 520.7616 2.5E2 523.3484 1.4E2 528.9172 1.0E2 573.0265 1.1E2 607.1202 1.0E2 635.1364 1.7E3 635.2257 1.0E2 635.2418 1.4E2 637.1221 1.2E2 667.1541 1.1E3 667.2651 1.4E2 667.4007 5.3E2 668.1496 1.4E3 669.1433 2.2E2 669.3849 2.0E2 671.1597 1.5E2 END IONS BEGIN IONS FEATURE_ID=8512 PEPMASS=525.2459 SCANS=8512 RTINSECONDS=1655.932 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9940 1.5E2 91.0512 2.7E2 122.9492 1.9E2 171.0976 2.0E2 177.1587 1.3E2 209.1565 1.3E2 222.1580 2.6E2 249.0446 1.5E2 251.2027 1.6E2 263.1637 1.6E2 291.1862 1.1E2 298.1325 1.3E2 327.2147 1.8E2 349.1955 1.2E2 363.1736 1.3E2 670.6025 1.5E2 END IONS BEGIN IONS FEATURE_ID=8517 PEPMASS=740.1260 SCANS=8517 RTINSECONDS=1656.877 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0231 1.4E2 135.0350 1.7E2 161.0464 1.6E2 185.0251 2.4E2 219.0175 1.3E2 240.5068 2.0E2 272.1003 1.0E2 283.0354 1.3E2 291.0597 5.7E2 292.0562 6.6E2 293.0658 1.9E2 295.0594 2.3E2 301.0012 1.4E2 315.0693 1.1E2 317.0415 2.4E2 318.0248 2.9E2 335.0485 4.5E2 336.0499 8.7E2 336.1028 1.7E2 337.0486 1.8E2 339.0574 1.1E2 340.0645 1.5E2 361.0192 1.0E2 379.0421 2.3E2 380.0348 2.6E2 515.0878 2.5E2 516.0920 3.9E2 517.1011 1.9E2 560.0789 1.5E2 END IONS BEGIN IONS FEATURE_ID=8530 PEPMASS=849.1631 SCANS=8530 RTINSECONDS=1659.063 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 295.1037 1.2E2 339.0508 1.2E2 357.0649 1.5E2 431.0620 2.6E2 443.0699 1.5E2 507.0918 3.1E2 508.0855 1.9E2 603.0533 1.5E2 604.0719 1.6E2 625.1415 1.2E2 626.1522 1.7E2 651.1084 4.1E2 669.1088 2.4E2 671.2062 1.0E2 687.1321 2.5E3 687.2438 3.0E2 687.4858 1.0E2 688.1325 7.6E2 688.4561 1.3E2 689.1372 5.6E2 690.1440 1.2E2 805.0831 1.4E2 831.1738 1.9E2 849.1594 6.1E2 850.1731 2.5E2 850.4854 1.0E2 851.1687 2.2E2 851.4018 1.3E2 END IONS BEGIN IONS FEATURE_ID=8547 PEPMASS=632.3148 SCANS=8547 RTINSECONDS=1665.797 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.9965 1.8E2 85.0282 1.6E2 130.0676 1.0E2 131.0460 1.6E2 134.8677 1.1E2 137.1047 1.2E2 171.0567 1.0E2 174.9499 1.5E2 186.1179 1.1E2 208.7740 1.0E2 209.0710 1.8E2 226.1287 1.5E2 244.1385 2.5E2 296.1731 1.6E2 299.1973 3.1E2 311.2263 1.8E2 315.1289 1.2E2 330.8113 1.0E2 340.1485 1.3E2 343.1090 1.5E2 357.1834 2.8E2 358.1918 1.4E2 396.2267 1.5E2 410.0805 1.2E2 413.2479 6.6E2 452.2918 1.2E2 456.2677 1.1E2 469.3014 1.1E2 470.3105 1.1E2 566.3271 3.8E2 566.3932 1.0E2 567.3367 4.2E2 568.3356 1.3E2 635.3184 2.0E2 930.4691 2.7E2 970.7362 1.3E2 END IONS BEGIN IONS FEATURE_ID=8555 PEPMASS=551.1175 SCANS=8555 RTINSECONDS=1669.274 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9939 3.8E2 123.0423 3.1E2 124.0506 1.2E2 135.0421 2.7E2 144.0208 1.2E2 145.0328 1.7E2 161.0230 1.2E2 184.0087 2.3E2 185.0215 1.3E2 197.0372 3.8E2 205.0428 1.9E2 210.0537 1.2E2 217.0487 1.4E2 218.5296 1.0E2 221.0460 1.0E2 233.0414 1.9E2 234.0544 1.8E2 244.4143 1.1E2 251.0341 1.2E2 252.0471 1.1E2 259.0430 1.4E2 261.0561 1.1E2 265.0349 1.3E2 276.0382 2.6E2 277.0427 1.9E2 279.0198 1.4E2 281.0349 2.1E2 282.0817 1.6E2 293.0450 3.4E2 294.0502 2.6E2 295.0540 1.3E2 297.0721 1.2E2 309.0569 1.0E2 311.0428 2.6E2 321.0394 2.1E2 339.0918 1.0E2 353.0591 5.8E2 354.0611 1.1E2 365.0490 1.0E2 END IONS BEGIN IONS FEATURE_ID=8567 PEPMASS=983.2020 SCANS=8567 RTINSECONDS=1672.461 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0441 6.3E2 197.0492 2.7E2 265.0481 2.7E2 267.0641 1.3E2 268.0641 1.5E2 293.0476 2.3E2 308.0318 1.0E2 311.0559 4.8E3 311.2678 1.1E2 312.0578 1.1E3 312.1440 1.1E2 313.0464 1.7E2 401.0308 2.6E2 490.0693 1.5E2 491.0983 7.2E3 492.1031 2.4E3 492.2471 1.9E2 492.5162 1.2E2 492.8171 1.1E2 493.1054 8.2E2 541.0455 1.0E2 940.1809 1.4E2 END IONS BEGIN IONS FEATURE_ID=8583 PEPMASS=491.0967 SCANS=8583 RTINSECONDS=1679.437 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 5 (0 removed due to low quality, 3 removed due to low cosine). 72.9943 4.1E2 107.0544 1.3E2 109.0248 1.3E2 111.0402 1.4E2 123.0397 5.6E2 134.0314 3.9E2 134.0392 2.8E2 135.0455 3.8E3 135.1517 1.3E2 135.1838 1.0E2 136.0476 1.1E3 137.0518 2.0E2 159.0418 1.4E2 179.0335 1.5E2 180.0395 2.2E2 197.0522 1.6E2 211.0684 3.6E2 211.1110 1.2E2 212.0568 1.7E2 223.0424 1.3E2 235.0946 1.1E2 239.0768 1.1E2 239.0819 1.2E2 250.0727 3.3E2 264.0279 1.2E2 264.0371 1.5E2 265.0507 1.1E3 266.0509 5.9E2 267.0639 5.7E3 267.6166 1.3E2 268.0664 1.5E3 269.0726 1.0E2 277.0466 1.5E2 311.0568 9.9E3 311.1974 2.8E2 311.2180 3.3E2 312.0569 2.3E3 312.1714 1.7E2 312.4189 1.1E2 312.8885 1.3E2 313.0629 3.4E2 984.9672 1.0E2 END IONS BEGIN IONS FEATURE_ID=8589 PEPMASS=489.0822 SCANS=8589 RTINSECONDS=1680.446 CHARGE=1- MSLEVEL=2 MERGED_STATS=8 / 9 (0 removed due to low quality, 1 removed due to low cosine). 65.9719 1.2E2 71.0082 1.1E2 72.9941 1.0E4 73.0472 1.1E2 73.0739 1.3E2 73.0830 1.6E2 77.0379 3.6E2 78.0405 1.1E2 79.0563 2.7E2 88.2598 1.1E2 91.0555 5.0E2 94.0360 1.4E2 96.3438 1.1E2 101.0576 1.2E2 105.0292 1.2E2 106.0423 2.7E2 107.0507 2.1E3 109.0275 1.9E2 109.0315 1.5E3 109.0640 1.2E2 110.0322 1.6E2 113.0206 1.6E2 113.0968 1.2E2 114.8507 1.1E2 117.0336 4.4E2 118.0361 2.1E2 121.0302 3.3E2 123.0448 4.2E3 123.0758 2.4E2 125.0308 1.0E2 127.0813 1.7E2 133.0248 3.5E2 134.0306 2.4E2 134.0361 3.1E3 134.0636 1.6E2 134.1566 1.4E2 134.7188 1.2E2 135.0445 1.0E5 135.5694 1.9E2 135.6087 1.2E2 135.6199 1.3E2 135.6352 2.0E2 135.6798 1.0E2 135.6935 1.1E2 135.7814 1.4E2 135.8452 1.4E2 136.0481 8.9E3 136.0874 1.4E2 136.1501 1.4E2 136.1592 1.4E2 136.2249 1.0E2 136.2452 1.2E2 151.0344 2.9E2 151.0387 1.9E3 151.0443 3.9E2 152.0408 1.2E2 153.0490 1.1E2 153.0541 1.8E2 157.0291 1.8E2 159.0400 2.3E2 159.0455 1.4E2 167.3428 1.1E2 169.0670 2.0E2 171.0996 2.7E2 172.2976 1.3E2 175.0336 1.5E2 176.0718 1.0E2 176.5667 1.6E2 177.0128 1.1E2 177.0220 1.2E2 178.0216 2.2E2 178.3379 2.2E2 179.0338 1.0E4 179.0936 3.0E2 179.1000 1.1E2 179.1280 1.1E2 179.1492 1.0E2 180.0336 2.4E2 181.0633 3.8E2 183.9786 1.8E2 185.0247 5.4E2 186.0311 1.2E2 193.0694 2.0E2 193.1518 1.0E2 196.0566 1.1E2 197.0439 1.1E4 197.0904 1.1E2 197.1743 2.7E2 197.9693 1.2E2 198.0419 2.5E2 198.0574 3.7E2 198.0696 2.4E2 203.0023 2.0E2 203.0423 1.2E2 207.4382 1.5E2 209.0581 1.3E3 210.0586 1.1E2 211.0654 1.1E2 211.0744 8.9E2 211.1172 1.6E2 211.1461 1.2E2 219.0443 5.4E2 219.0837 1.1E2 220.0456 3.6E2 221.0612 3.7E2 221.0667 1.1E2 222.0710 5.3E2 223.0578 2.5E2 223.0697 1.0E2 224.0426 3.1E2 226.0736 1.0E2 229.1503 3.5E2 230.1483 1.3E2 233.4354 1.2E2 235.0430 1.6E2 236.0461 3.5E2 237.0492 4.3E2 237.0525 1.8E3 237.0638 1.3E2 237.1113 1.1E2 237.4640 1.0E2 237.9117 1.5E2 238.0600 5.1E2 238.0679 2.1E2 238.0994 1.2E2 239.0704 7.1E2 239.0779 1.3E2 239.0990 1.3E2 240.0636 1.4E2 240.0795 1.2E2 242.0509 1.4E2 246.6448 1.1E2 247.0295 1.1E2 247.0365 2.9E2 247.0422 3.9E2 247.7714 3.1E2 248.0412 5.5E2 248.0500 8.5E2 249.0562 1.0E3 249.0627 1.9E2 250.0656 5.7E2 252.0421 1.1E2 253.0442 1.3E2 253.0497 2.6E2 256.0728 1.2E2 258.1406 1.2E2 262.0590 1.0E2 263.0258 1.7E2 263.0323 5.3E2 264.0326 2.0E2 264.0420 9.6E2 264.0497 4.2E2 264.0852 1.0E2 264.3025 1.2E2 264.5461 1.1E2 264.7399 1.0E2 264.8790 1.6E2 265.0509 2.2E4 265.1597 3.5E2 265.1919 1.4E2 265.2007 4.4E2 265.2492 2.9E2 265.3047 1.6E2 265.4500 1.5E2 265.5281 2.2E2 266.0562 6.2E3 266.1161 1.2E2 266.1993 1.5E2 266.3943 1.0E2 266.8757 1.1E2 267.0656 1.0E5 267.1621 1.9E2 267.2163 1.2E2 267.7679 1.5E2 267.8151 1.6E2 267.8379 1.4E2 267.9308 1.1E2 267.9755 1.6E2 268.0692 1.4E4 268.1251 1.1E2 268.1515 1.9E2 268.2124 3.9E2 268.2205 2.1E2 268.2628 1.3E2 268.3162 1.3E2 268.3244 1.0E2 268.3805 1.3E2 268.6059 1.0E2 268.6713 2.2E2 269.0627 1.3E2 269.0726 5.1E2 269.0802 1.2E2 269.1266 1.1E2 269.2498 1.1E2 269.2671 1.8E2 269.3745 1.1E2 269.6930 1.1E2 270.4964 1.4E2 277.0515 2.2E2 278.0597 1.6E2 279.0656 2.8E2 280.0587 1.7E2 280.9872 1.1E2 281.0464 2.3E3 281.0496 7.5E2 281.1170 1.0E2 282.0475 1.1E3 282.2301 1.2E2 283.0315 2.2E2 283.0571 3.7E2 291.0258 1.2E2 291.0517 1.1E2 291.0775 1.0E2 293.0437 7.1E2 293.0515 3.5E3 293.1008 1.3E2 294.0454 7.3E2 294.0586 3.1E2 295.0558 3.2E2 295.0620 1.5E3 295.1135 1.3E2 296.0678 2.3E2 302.3733 1.0E2 307.0168 2.5E2 307.0710 1.8E2 307.8446 1.1E2 307.8825 1.1E2 307.9363 1.7E2 307.9682 1.2E2 308.0513 1.5E2 308.0645 1.0E2 308.1738 1.5E2 308.2167 1.2E2 308.3425 1.2E2 308.3601 1.3E2 308.4769 2.5E2 308.5424 1.0E2 308.5894 1.0E2 308.6920 1.6E2 308.7183 1.2E2 308.7720 1.4E2 308.8497 1.6E2 309.0219 2.2E2 309.0410 8.8E3 309.1357 2.3E2 309.1583 1.7E2 309.1652 1.4E2 309.1812 2.1E2 309.1938 1.3E2 309.2029 1.1E2 309.2676 1.0E2 309.3013 1.2E2 309.3125 1.3E2 309.4311 1.2E2 309.5038 1.1E2 309.6670 1.5E2 309.7992 1.0E2 310.0343 4.9E2 310.0448 2.2E3 310.1118 1.3E2 310.1606 1.1E2 310.2713 2.2E2 310.3466 1.2E2 310.6759 1.0E2 310.7029 1.1E2 310.7626 1.4E2 310.9371 1.3E2 310.9648 1.6E2 311.0564 3.7E5 311.8674 3.9E2 311.9113 3.0E2 311.9188 2.9E2 311.9582 1.2E2 312.0592 5.9E4 312.2221 4.2E2 312.2422 2.2E2 312.2659 2.4E2 312.2920 1.9E2 312.3816 1.3E2 312.4112 1.6E2 312.4763 1.0E2 312.5848 1.5E2 312.6861 1.2E2 312.7079 1.9E2 312.7264 1.8E2 312.7427 1.7E2 312.7913 1.2E2 312.8182 2.4E2 312.8529 1.7E2 312.8777 1.3E2 312.9094 1.1E2 312.9213 1.2E2 312.9621 1.0E2 312.9721 1.7E2 313.0623 4.1E3 313.0801 4.5E2 313.1280 1.7E2 313.1402 1.4E2 313.1476 2.3E2 313.1698 2.4E2 313.2386 1.0E2 313.2554 1.3E2 313.3504 1.1E2 313.3839 2.7E2 313.5015 2.7E2 313.5205 1.1E2 313.5269 1.2E2 313.5644 1.1E2 313.5801 1.0E2 313.5953 1.1E2 313.7056 1.1E2 313.8475 2.2E2 313.9728 1.1E2 314.0716 3.0E2 314.0858 1.2E2 314.6042 1.1E2 315.6757 1.1E2 316.1639 1.0E2 320.3251 1.1E2 322.0430 2.4E2 323.0486 1.6E2 323.0562 6.0E2 323.0665 2.5E2 324.0435 1.2E2 324.0635 1.2E2 325.0706 1.1E2 326.0448 1.4E2 327.1978 1.3E2 329.0662 1.1E2 331.0784 1.0E2 332.6090 1.0E2 336.7636 1.0E2 339.0544 1.3E2 379.1177 1.9E2 384.1066 1.3E2 394.3898 1.0E2 399.0925 1.1E2 401.1564 1.1E2 403.0797 1.3E2 403.1148 1.1E2 417.0957 1.0E2 418.1165 1.1E2 429.0940 1.1E2 445.0875 2.8E2 445.1040 1.3E2 446.0854 2.1E2 446.1007 5.3E2 446.1784 1.0E2 447.1092 3.0E2 447.1340 1.1E2 459.1571 1.5E2 473.0985 1.1E2 478.6199 1.6E2 485.8221 1.2E2 486.1730 1.2E2 486.6301 1.3E2 486.9041 1.5E2 487.2992 1.1E2 489.0761 3.4E2 489.0871 1.3E3 489.1316 1.6E2 489.2744 9.7E2 490.0789 2.2E2 490.0926 1.3E2 490.2581 5.9E2 491.0988 9.2E4 492.1008 2.3E4 492.4321 1.9E2 492.5668 2.1E2 492.6352 2.6E2 492.7533 1.4E2 492.8439 1.1E2 492.8913 3.3E2 493.0954 4.6E2 493.1024 2.3E3 493.1731 3.8E2 493.2409 3.0E2 493.2915 1.4E2 493.3082 2.7E2 493.3981 1.1E2 493.5489 1.2E2 493.7131 1.1E2 493.8324 1.6E2 493.8601 1.2E2 493.8803 1.4E2 493.9664 1.6E2 494.0401 1.2E2 494.2331 1.0E2 494.7910 1.0E2 496.2338 1.1E2 497.2120 1.0E2 497.3674 1.1E2 510.8376 1.2E2 607.1461 1.2E2 666.0637 1.0E2 670.4865 1.2E2 713.6273 1.7E2 775.5643 1.6E2 890.6421 1.3E2 911.9414 1.4E2 951.1024 1.1E2 END IONS BEGIN IONS FEATURE_ID=8597 PEPMASS=373.0927 SCANS=8597 RTINSECONDS=1682.6 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 135.0464 7.5E2 174.9529 1.7E2 179.0336 1.9E3 179.1142 1.8E2 180.0357 6.1E2 185.1013 1.1E2 187.0898 1.2E2 198.9200 1.1E2 223.1387 1.2E2 235.0039 2.2E2 247.1204 1.2E2 264.1597 1.1E2 308.0917 1.2E2 374.2507 1.5E2 375.2803 2.4E2 375.3305 1.4E2 392.3428 1.1E2 END IONS BEGIN IONS FEATURE_ID=8602 PEPMASS=665.3894 SCANS=8602 RTINSECONDS=1683.808 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 85.0285 1.4E2 89.0238 2.4E2 95.0093 1.1E2 135.0441 1.4E2 137.0259 1.5E2 219.0195 1.1E2 281.0457 2.1E2 303.0227 1.0E2 311.0605 1.1E2 371.1415 1.2E2 390.0988 1.9E2 503.3343 8.0E2 505.3402 1.6E2 665.3877 3.2E3 666.3927 2.4E3 666.8551 1.4E2 667.3816 3.2E2 END IONS BEGIN IONS FEATURE_ID=8616 PEPMASS=669.4026 SCANS=8616 RTINSECONDS=1688.508 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0151 2.5E2 71.0535 1.5E2 73.0348 1.1E2 89.0269 2.0E2 95.0168 1.9E2 97.0665 1.2E2 101.0259 4.1E2 113.0203 3.2E2 159.0305 1.5E2 161.0460 2.1E2 186.0245 1.1E2 229.0091 5.6E2 242.0254 1.1E2 243.0205 1.8E2 266.0471 2.6E2 293.0300 1.7E2 331.0201 2.1E2 337.0283 1.5E2 339.0433 6.0E2 345.2969 1.6E2 351.0456 4.8E2 363.1569 1.3E2 365.0440 1.6E2 429.1009 1.8E2 475.0898 2.4E2 507.3549 6.8E2 627.1578 1.2E2 669.4096 1.4E2 670.3938 1.4E2 945.0010 1.3E2 979.3253 2.5E2 END IONS BEGIN IONS FEATURE_ID=8631 PEPMASS=983.2044 SCANS=8631 RTINSECONDS=1691.165 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 134.0328 1.0E2 135.0429 7.5E2 179.0333 3.0E2 197.0474 2.7E2 265.0588 1.7E2 266.0559 1.2E2 267.0952 1.5E2 311.0546 6.3E3 312.0583 8.9E2 313.0643 3.3E2 491.0953 9.0E3 492.1002 3.4E3 492.4928 1.3E2 492.6977 1.2E2 493.0893 5.6E2 493.3024 1.1E2 493.8969 1.1E2 494.0965 3.3E2 954.4080 1.1E2 END IONS BEGIN IONS FEATURE_ID=8636 PEPMASS=549.0648 SCANS=8636 RTINSECONDS=1691.969 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.6111 2.6E2 72.9939 2.3E2 77.0417 1.7E2 109.0268 2.9E2 109.0472 1.3E2 110.0312 2.1E2 135.0454 9.2E2 161.0205 1.4E2 179.0391 2.0E2 185.0242 2.5E2 196.9697 1.1E2 197.0486 6.3E2 206.0053 1.0E2 211.0211 2.6E2 217.0567 2.3E2 231.0292 1.2E3 232.0430 2.0E2 249.0518 1.2E2 251.0512 1.5E2 266.9715 1.8E2 277.0439 2.0E2 277.0827 1.0E2 279.0239 1.9E2 280.0274 2.3E2 293.0443 7.0E2 293.0960 1.5E2 294.0549 3.3E2 295.0619 5.1E2 296.0682 1.0E2 309.0589 2.3E2 311.0570 1.2E3 312.0598 5.6E2 316.1928 1.1E2 320.4470 1.3E2 321.0426 1.1E4 321.6888 1.7E2 322.0468 2.3E3 322.2044 1.3E2 322.3391 1.2E2 323.0476 3.8E2 327.0877 1.2E2 333.0427 8.4E2 334.0386 3.5E2 339.0493 1.1E3 339.6355 1.0E2 340.0628 3.5E2 353.0684 5.2E3 353.2374 2.2E2 353.2859 1.1E2 354.0742 6.1E2 354.8471 1.4E2 371.0769 4.7E2 372.0802 2.1E2 429.0909 1.7E2 435.7965 1.1E2 442.0309 2.4E2 445.2826 1.1E2 473.0962 1.4E2 491.1006 4.0E2 492.0532 1.6E2 513.0836 1.9E3 514.0809 9.4E2 514.2073 1.0E2 519.0963 9.6E2 519.1711 2.2E2 521.0013 1.5E2 522.9853 1.4E2 529.5489 1.1E2 550.2542 1.2E2 551.1205 6.5E2 551.2080 1.2E2 552.2671 1.0E2 753.0262 1.3E2 779.9895 1.2E2 END IONS BEGIN IONS FEATURE_ID=8637 PEPMASS=705.3751 SCANS=8637 RTINSECONDS=1694.187 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 73.0304 1.2E2 104.0356 1.4E2 105.0189 1.4E2 133.0191 1.2E2 141.0142 1.2E2 160.0339 1.2E2 213.0935 1.3E2 219.1386 1.3E2 241.0875 1.9E2 265.0477 1.1E2 273.1774 1.1E2 284.0405 1.0E2 318.1127 1.1E2 331.0693 1.6E2 355.1270 1.2E2 389.1008 1.4E2 507.3480 4.2E2 508.3709 1.3E2 509.3603 1.5E2 511.1902 1.6E2 546.0831 1.0E2 669.4134 3.8E2 670.4153 2.8E2 757.9518 1.1E2 END IONS BEGIN IONS FEATURE_ID=8639 PEPMASS=491.0972 SCANS=8639 RTINSECONDS=1692.928 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 9 (0 removed due to low quality, 6 removed due to low cosine). 72.9925 5.7E2 79.0519 1.2E2 109.0283 5.8E2 109.0325 1.4E2 131.1930 1.3E2 134.0368 4.8E2 135.0434 6.0E3 135.0804 1.7E2 135.1458 1.9E2 135.3952 1.3E2 135.8003 1.1E2 136.0492 6.6E2 137.0475 3.2E2 161.0258 1.2E2 179.0343 4.5E2 185.0216 9.3E2 185.0686 1.2E2 186.0336 1.0E2 193.0583 1.4E2 197.0629 1.2E2 203.0288 1.4E2 222.0578 1.3E2 265.0508 1.5E3 265.1415 1.1E2 266.0473 2.9E2 266.0627 2.6E2 267.0640 9.8E3 267.2065 1.9E2 268.0659 1.8E3 268.4470 1.7E2 268.6359 1.4E2 269.0608 1.1E2 269.0705 1.4E2 270.0745 1.3E2 271.3152 1.2E2 277.0460 1.4E2 279.0477 1.0E2 307.0676 1.6E2 311.0549 1.2E4 311.2104 1.2E2 312.0596 2.7E3 312.2158 1.5E2 313.0609 4.6E2 329.2330 1.7E2 END IONS BEGIN IONS FEATURE_ID=8642 PEPMASS=513.0803 SCANS=8642 RTINSECONDS=1692.928 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.0489 1.0E2 125.0195 1.8E2 135.0433 1.7E3 136.0469 1.4E2 173.0196 2.2E2 177.0512 1.4E2 219.0303 1.5E2 248.0506 1.3E2 265.0419 2.9E2 266.0547 5.8E2 267.0608 8.0E2 267.1154 1.2E2 287.0339 2.5E2 289.0471 3.5E2 311.0549 6.9E2 312.0621 2.7E2 329.0506 1.3E2 333.0336 5.6E2 334.0285 1.4E2 387.2012 1.4E2 605.0632 1.3E2 END IONS BEGIN IONS FEATURE_ID=8643 PEPMASS=551.1196 SCANS=8643 RTINSECONDS=1692.928 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9942 1.2E2 91.0520 1.3E2 109.0328 5.0E2 121.0281 2.2E2 135.0438 3.2E2 157.0248 2.6E2 201.0186 1.8E2 224.0593 2.1E2 231.0375 4.0E2 232.0429 1.3E2 249.0575 2.5E2 251.0683 2.9E2 265.0556 2.6E2 266.0489 1.5E2 267.0690 1.7E2 277.0519 3.3E2 277.0879 1.3E2 279.0262 2.0E2 291.0232 1.6E2 292.0269 1.5E2 293.0433 6.6E2 294.0543 1.8E2 295.0548 3.0E2 307.0633 1.5E2 311.0408 1.1E2 321.0430 1.4E3 322.0312 2.0E2 323.0418 1.3E2 333.0240 1.7E2 336.0677 1.3E2 339.0541 2.7E2 351.0440 1.3E2 353.0801 2.9E2 END IONS BEGIN IONS FEATURE_ID=8678 PEPMASS=549.0655 SCANS=8678 RTINSECONDS=1699.627 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9934 6.7E2 91.2210 1.2E2 108.2287 1.0E2 109.0298 3.5E3 109.1267 1.7E2 109.2804 1.1E2 123.0467 1.1E2 124.7258 1.1E2 135.0434 1.5E3 136.5765 1.2E2 137.0197 2.2E2 149.0179 1.0E2 152.0361 1.2E2 153.0591 1.3E2 161.0242 1.7E2 177.0231 3.8E2 179.0358 3.4E2 180.0367 1.3E2 185.0252 6.2E2 186.0236 2.6E2 197.0446 3.4E3 197.1573 1.7E2 199.0536 1.2E2 201.0131 4.8E2 205.0514 1.4E2 217.0462 3.6E2 217.0805 1.0E2 221.0655 1.8E2 222.0536 1.5E2 228.0009 1.1E2 229.0120 1.2E3 230.0208 1.4E2 231.0283 7.2E3 231.1685 2.2E2 231.2060 1.3E2 232.0359 1.2E3 232.3026 1.0E2 240.0362 1.5E2 242.6297 1.1E2 242.6718 1.4E2 243.0273 3.3E2 244.0375 1.1E2 249.0522 1.9E2 251.0346 2.8E2 266.0499 1.3E2 277.0492 1.7E3 278.0547 5.0E2 278.2833 1.0E2 279.0333 3.5E2 280.0254 2.4E2 293.0453 2.7E3 293.1552 1.8E2 293.1933 1.2E2 294.0514 1.2E3 294.1050 2.2E2 294.6524 1.1E2 295.0594 2.4E3 295.1452 2.1E2 295.2014 1.3E2 295.7092 1.4E2 296.0626 6.9E2 298.8438 1.1E2 303.0277 2.1E2 309.0731 3.3E2 311.0584 1.5E3 312.0597 1.5E2 312.1093 1.0E2 317.0499 1.0E2 317.4796 1.0E2 317.6098 1.1E2 317.8930 1.0E2 318.9217 1.5E2 320.0297 1.5E2 321.0397 4.8E4 321.8576 1.8E2 321.9332 1.6E2 322.0453 7.0E3 322.1978 3.8E2 322.2772 1.6E2 322.4914 1.5E2 322.5480 1.1E2 322.6557 1.5E2 322.7282 1.5E2 322.8372 1.2E2 323.0501 2.3E2 324.0716 1.1E2 325.0702 2.0E2 327.0865 1.0E3 328.0852 1.0E2 333.0433 6.4E2 335.0419 1.7E2 339.0511 6.0E3 339.2176 2.3E2 339.2890 1.8E2 339.6144 1.1E2 340.0539 9.6E2 340.1370 1.3E2 340.2803 1.2E2 351.0363 1.4E2 352.9570 2.4E2 353.0654 2.9E4 353.9580 1.1E2 354.0677 4.1E3 354.1530 3.7E2 354.2275 1.8E2 354.3179 1.2E2 354.9159 1.9E2 355.0624 2.0E2 355.2327 1.5E2 355.2930 1.0E2 355.5268 1.0E2 369.0260 3.3E2 370.0354 1.1E2 371.0740 1.5E3 371.1812 1.1E2 372.0771 6.2E2 463.1978 1.4E2 489.1211 1.3E2 491.0944 5.6E2 492.1007 2.0E2 493.2747 1.6E2 494.1040 1.1E2 502.0262 1.4E2 513.0755 1.7E3 514.0783 5.5E2 515.0840 1.3E2 515.1713 2.1E2 517.0879 1.4E2 519.0953 3.7E3 519.2953 2.6E2 519.3897 1.1E2 520.0918 1.4E3 520.2309 1.7E2 521.0844 1.7E2 550.0348 1.5E2 551.1167 3.0E3 551.3316 1.1E2 552.1227 4.1E2 553.1303 2.1E2 598.8833 1.3E2 END IONS BEGIN IONS FEATURE_ID=8683 PEPMASS=667.3871 SCANS=8683 RTINSECONDS=1699.658 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0152 1.3E3 83.0147 1.2E2 85.0321 1.5E2 89.0246 8.2E2 99.0113 1.3E2 101.0248 5.8E2 109.0285 2.5E2 113.0257 8.1E2 113.0755 1.2E2 119.0335 4.0E2 119.0620 1.4E2 151.1790 1.0E2 161.0443 2.6E2 205.0127 1.3E2 231.1070 1.3E2 263.1132 1.0E2 266.0574 2.0E2 297.2341 1.0E2 311.0529 2.3E2 313.8214 1.0E2 324.0448 2.7E2 325.1177 1.4E2 329.2324 1.0E2 345.2867 1.3E2 381.9620 1.8E2 400.0551 1.2E2 422.6751 1.1E2 429.1076 1.1E2 433.1490 1.1E2 487.3262 1.1E2 507.3480 3.6E2 508.3650 1.1E2 550.9402 1.4E2 669.3950 2.7E2 670.4259 1.4E2 END IONS BEGIN IONS FEATURE_ID=8684 PEPMASS=703.3633 SCANS=8684 RTINSECONDS=1699.658 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0097 1.3E2 101.0253 1.8E2 113.0266 2.6E2 116.0657 1.4E2 119.0374 1.9E2 159.0338 1.0E2 164.0673 1.1E2 185.1254 2.2E2 199.0903 1.4E2 209.6802 1.1E2 235.1256 2.0E2 505.3375 3.9E2 508.3545 2.4E2 519.1701 1.1E2 667.3885 5.0E2 667.4611 1.0E2 668.3806 2.3E2 END IONS BEGIN IONS FEATURE_ID=8687 PEPMASS=551.1203 SCANS=8687 RTINSECONDS=1701.479 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9929 1.4E2 107.0450 1.7E2 108.8872 1.0E2 109.0265 4.7E2 110.0343 1.4E2 135.0408 3.4E2 143.0462 1.1E2 145.0322 1.1E2 158.0482 2.8E2 161.0157 2.0E2 178.7348 1.9E2 179.0240 1.6E2 185.0259 1.0E2 186.0311 1.1E2 200.0092 1.3E2 219.0202 1.8E2 233.0498 2.7E2 249.0589 1.2E2 249.3693 1.3E2 251.0789 1.3E2 267.0645 1.8E2 277.0473 2.9E2 279.0408 1.1E2 281.0572 1.6E2 292.0331 1.9E2 293.0412 3.8E2 294.0453 3.1E2 295.0666 1.5E2 303.0184 2.1E2 311.0556 5.1E2 321.0364 3.1E2 322.0318 1.0E2 340.0526 1.7E2 478.3666 1.1E2 END IONS BEGIN IONS FEATURE_ID=8692 PEPMASS=513.0796 SCANS=8692 RTINSECONDS=1703.681 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 12 (0 removed due to low quality, 10 removed due to low cosine). 78.9587 2.3E2 95.0461 2.1E2 119.0501 1.3E2 135.0435 2.7E3 136.0522 5.4E2 151.0359 2.5E2 152.0684 1.5E2 179.0343 1.9E2 210.0648 1.0E2 219.0182 2.6E2 225.1053 1.4E2 238.0391 1.1E2 249.0448 1.6E2 250.0739 2.7E2 266.0550 3.1E2 266.0677 2.0E2 267.0693 1.5E3 269.0719 1.3E2 287.0335 1.2E2 291.0638 1.1E2 310.5374 2.1E2 311.0595 1.8E3 312.0595 3.9E2 333.0404 1.5E3 436.0631 1.0E2 731.0982 1.5E2 END IONS BEGIN IONS FEATURE_ID=8706 PEPMASS=242.9960 SCANS=8706 RTINSECONDS=1706.197 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 91.0549 3.9E2 92.0589 1.4E2 96.9644 1.3E2 END IONS BEGIN IONS FEATURE_ID=8720 PEPMASS=489.0811 SCANS=8720 RTINSECONDS=1708.375 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 11 (0 removed due to low quality, 10 removed due to low cosine). 72.9932 3.9E2 109.0327 2.2E2 113.0215 1.6E2 117.0328 1.2E2 134.0359 2.2E2 135.0427 5.1E3 135.1204 2.0E2 135.1520 2.1E2 136.0444 2.9E2 151.0408 1.8E2 165.0703 1.7E2 179.0369 7.1E2 180.0373 1.7E2 193.0158 1.2E2 193.0645 1.0E2 197.0432 2.2E2 198.0577 1.6E2 203.0455 1.7E2 209.0572 1.2E2 220.0449 2.6E2 237.0529 3.8E2 239.0652 1.8E2 240.0648 1.6E2 248.0398 1.3E2 250.0634 1.1E2 263.0309 1.6E2 263.3257 1.1E2 265.0525 7.2E2 266.0480 6.4E2 267.0634 7.7E3 267.2090 3.0E2 268.0707 9.6E2 268.1312 1.2E2 268.4648 1.2E2 279.0620 1.7E2 281.0432 8.6E2 281.2070 1.3E2 282.0458 3.7E2 282.3036 1.1E2 292.8845 2.8E2 307.0518 1.8E2 309.0345 2.3E2 311.0531 9.2E3 311.9243 1.1E2 312.0038 3.4E2 312.0567 2.0E3 312.1406 2.7E2 313.0483 2.6E2 328.2082 1.6E2 END IONS BEGIN IONS FEATURE_ID=8721 PEPMASS=491.0964 SCANS=8721 RTINSECONDS=1708.375 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 18 (0 removed due to low quality, 16 removed due to low cosine). 72.9938 5.5E2 106.0372 1.2E2 109.0252 1.2E2 135.0436 2.4E3 136.0584 1.1E2 137.0472 1.3E2 175.0344 2.2E2 179.0350 2.0E2 212.1363 1.9E2 223.0646 1.2E2 238.0545 1.4E2 250.0595 1.5E2 265.0488 5.9E2 266.0496 2.1E2 267.0619 3.7E3 267.1761 1.1E2 268.0642 5.3E2 268.0701 3.8E2 287.0926 2.3E2 288.6482 1.0E2 290.8145 1.3E2 311.0551 3.3E3 311.1238 1.6E2 312.0556 8.7E2 312.3071 1.1E2 334.0842 1.3E2 358.0017 2.1E2 741.3733 1.4E2 END IONS BEGIN IONS FEATURE_ID=8736 PEPMASS=983.2024 SCANS=8736 RTINSECONDS=1710.674 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 311.0582 7.9E2 312.0665 1.7E2 445.0937 1.8E2 491.1016 8.2E3 492.1003 1.9E3 492.2976 2.1E2 493.1110 6.4E2 493.7206 1.0E2 839.2534 1.5E2 929.3617 1.1E2 983.2162 5.2E2 985.2914 4.8E2 END IONS BEGIN IONS FEATURE_ID=8740 PEPMASS=487.0654 SCANS=8740 RTINSECONDS=1710.754 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (2 removed due to low quality, 3 removed due to low cosine). 71.0126 1.6E2 72.9932 6.8E2 73.0185 1.3E2 79.0553 1.4E2 89.0242 1.7E2 95.0109 1.7E2 105.0332 2.0E2 105.6059 1.0E2 107.0208 1.4E2 119.0420 1.7E2 121.0325 1.3E2 123.0422 3.2E2 131.9509 1.1E2 133.0287 4.4E2 134.0354 4.9E2 135.0437 2.7E3 135.1515 1.1E2 149.0227 3.2E2 150.0301 1.2E2 151.0386 1.3E3 165.0753 1.3E2 197.0449 3.0E2 209.0601 2.9E2 210.0560 1.7E2 216.6460 1.2E2 219.0484 3.0E2 219.1066 1.1E2 221.0659 1.6E2 222.0574 1.4E2 235.0436 4.4E2 236.0346 1.9E2 237.0542 1.1E3 247.0380 3.9E2 248.0491 2.2E2 249.0579 1.3E2 253.0484 1.2E2 264.0409 7.0E2 265.0502 3.3E3 265.1987 1.4E2 266.0558 1.2E3 266.1220 1.4E2 267.0657 5.1E3 267.1601 2.8E2 267.2159 1.7E2 267.2550 1.1E2 267.3430 1.7E2 267.4936 1.2E2 267.6576 1.3E2 268.0676 5.2E2 277.0470 1.1E2 280.0776 2.6E2 281.0440 2.2E3 281.1330 1.5E2 281.1869 1.1E2 281.2486 1.1E2 281.3703 1.2E2 281.5446 1.1E2 282.0461 4.5E2 282.1265 1.8E2 283.0528 2.4E2 288.9953 1.7E2 291.0523 3.9E2 291.1882 3.3E2 308.0410 1.0E2 309.0385 1.2E3 309.2094 1.5E2 310.0494 2.0E2 311.0539 7.5E3 311.2119 5.1E2 311.2792 1.4E2 312.0498 2.6E2 312.3489 1.2E2 323.0553 3.8E2 324.0606 1.0E2 328.2112 1.1E2 331.1154 1.5E2 381.0778 1.6E2 546.2900 2.5E2 END IONS BEGIN IONS FEATURE_ID=8766 PEPMASS=549.0801 SCANS=8766 RTINSECONDS=1717.379 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0166 2.1E2 72.9940 3.7E3 73.0730 2.0E2 75.1929 1.0E2 105.0334 1.3E2 106.0427 1.7E2 107.0164 4.4E2 108.0193 5.7E2 108.3845 1.2E2 109.0296 1.8E4 109.8184 1.1E2 109.9804 1.2E2 110.0330 7.5E2 110.1157 1.0E2 112.0281 1.0E2 117.0277 1.7E2 121.0268 8.3E2 123.0440 2.3E3 123.1460 1.8E2 124.0796 1.2E2 133.0279 7.3E2 134.0392 3.0E2 135.0443 6.0E3 135.1507 3.3E2 135.1975 1.7E2 135.2649 1.2E2 135.3346 1.5E2 136.0482 7.5E2 136.5882 1.1E2 137.0176 1.1E2 137.1168 1.1E2 141.0341 3.4E2 144.0228 2.7E2 145.0308 3.2E2 148.8291 2.3E2 149.0224 6.6E2 150.0196 2.9E2 151.0373 3.2E2 151.0729 1.5E2 155.0428 2.9E2 157.0285 3.9E2 158.0397 1.4E2 158.3175 1.6E2 159.0497 2.6E2 161.0315 3.5E2 165.0677 1.9E2 167.0335 6.8E2 172.0151 1.6E3 172.1025 1.1E2 173.0201 3.7E2 179.0339 2.8E3 179.1557 1.5E2 180.0530 2.0E2 184.0173 3.1E2 185.0234 6.1E3 185.1484 2.9E2 185.2038 1.0E2 186.0286 1.0E3 187.0343 3.4E2 187.0719 1.6E2 189.0684 1.4E2 191.0507 1.3E2 193.0549 1.2E2 195.0438 2.5E2 196.0410 1.5E2 197.0430 1.7E3 197.1665 1.0E2 200.0095 1.8E3 200.1172 1.1E2 200.5622 1.4E2 201.0165 2.1E3 201.0886 1.8E2 201.1396 1.2E2 201.2260 1.2E2 203.0363 4.9E2 204.0279 1.0E2 205.0689 6.1E2 206.0709 3.2E2 207.0435 2.1E2 208.0523 1.6E2 209.0639 3.5E2 216.0135 1.4E2 217.0487 1.1E3 217.1164 1.1E2 219.0423 3.0E2 221.0592 2.5E3 221.1940 1.1E2 222.0595 5.3E2 223.0333 5.8E2 224.0523 1.2E2 225.0472 2.1E2 229.0131 8.3E2 231.0288 8.5E3 231.1646 1.5E2 231.3028 1.7E2 232.0366 9.6E2 232.1677 1.1E2 233.0557 5.9E2 234.0679 2.2E2 235.0536 1.4E2 236.0408 1.4E2 237.0552 3.1E2 238.0245 2.1E2 239.0651 1.8E2 243.0332 3.0E2 244.0345 1.8E2 246.0600 1.2E2 247.0376 2.8E2 248.0467 2.8E3 248.1923 1.4E2 249.0539 9.0E3 249.1855 3.6E2 249.3540 1.4E2 249.4543 1.4E2 249.5738 1.1E2 250.0562 1.1E3 250.1925 1.4E2 250.4075 1.1E2 251.0346 1.9E3 251.1785 1.5E2 251.2051 1.4E2 252.0426 5.5E2 253.0449 3.5E2 254.0576 4.3E2 259.0384 5.0E2 260.0534 1.6E2 263.0288 2.3E2 264.0335 6.6E2 265.0481 1.9E3 265.1268 1.3E2 265.1825 1.3E2 266.0583 8.0E2 267.0647 1.8E3 268.0730 2.0E2 269.6327 1.2E2 275.0369 8.4E2 276.0419 2.5E3 276.1939 1.1E2 277.0496 8.7E3 277.8842 1.1E2 278.0461 1.1E3 278.6680 2.0E2 279.0320 2.1E3 279.1833 1.5E2 279.2581 1.0E2 279.9420 1.6E2 280.0356 1.8E3 280.1399 1.3E2 280.1883 1.3E2 281.0732 1.9E2 282.0668 1.4E2 287.0316 2.5E2 290.0518 1.3E2 290.7041 1.2E2 291.0231 3.8E2 292.0354 1.1E3 292.1423 1.3E2 292.6601 1.1E2 293.0435 1.7E4 293.9344 1.5E2 294.0515 5.6E3 294.1841 3.4E2 294.2421 1.7E2 294.3605 1.3E2 294.4607 1.2E2 295.0574 5.3E3 295.2107 1.9E2 295.2573 1.0E2 295.5470 1.2E2 295.7874 1.7E2 295.9132 1.2E2 296.0658 7.0E2 297.5154 1.4E2 298.1452 1.1E2 303.0299 1.5E3 303.1585 1.1E2 304.0296 3.8E2 304.2168 1.3E2 306.0245 1.4E2 307.0501 1.9E2 311.0556 2.5E3 311.2111 1.3E2 311.3065 1.3E2 312.0594 4.5E2 312.1009 1.3E2 313.0617 2.0E2 319.0240 5.3E2 319.1157 1.1E2 320.0273 2.9E2 320.9459 1.5E2 321.0393 3.1E4 322.0433 4.1E3 322.1550 2.6E2 322.2091 1.2E2 322.2665 1.5E2 322.3583 1.8E2 322.4826 1.3E2 322.8741 1.0E2 323.0456 2.9E2 323.1404 1.8E2 323.9220 1.3E2 327.0899 1.6E2 333.0381 4.3E2 333.1320 1.1E2 334.0367 2.8E2 335.0501 7.8E2 335.1173 1.4E2 337.0676 1.3E2 339.0494 1.5E3 340.0498 5.7E2 353.0695 1.5E3 353.2634 1.3E2 354.0659 4.1E2 392.0606 1.2E2 405.2613 1.5E2 411.2489 1.3E2 425.9754 1.2E2 469.1046 2.5E2 491.0757 1.2E2 648.5416 1.1E2 869.4222 1.0E2 END IONS BEGIN IONS FEATURE_ID=8768 PEPMASS=513.0789 SCANS=8768 RTINSECONDS=1717.636 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 111.0078 1.2E2 135.0457 1.4E3 136.0539 2.0E2 137.0514 1.1E2 173.0216 3.3E2 181.0486 1.1E2 219.0210 1.9E2 221.0578 1.1E2 232.0445 1.1E2 267.0632 7.4E2 268.0617 3.1E2 283.0661 1.1E2 287.0350 2.9E2 288.0321 1.4E2 292.0798 1.9E2 310.0567 1.2E2 311.0573 1.1E3 312.0721 2.5E2 324.6426 1.1E2 333.0373 7.9E2 334.0451 2.4E2 469.9960 1.1E2 END IONS BEGIN IONS FEATURE_ID=8776 PEPMASS=667.3872 SCANS=8776 RTINSECONDS=1718.231 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 151.0357 2.7E2 272.6935 2.1E2 310.1956 1.4E2 337.0330 1.6E2 346.0275 1.6E2 373.0716 1.7E2 477.0163 1.3E2 505.3356 7.0E2 507.3547 1.5E2 510.2727 1.8E2 552.5478 1.5E2 558.9449 1.3E2 599.1352 1.4E2 621.9495 1.2E2 667.3887 2.0E3 667.5624 1.7E2 668.3805 1.2E3 669.3135 1.1E2 669.3977 1.2E3 670.4010 4.4E2 671.3234 2.5E2 END IONS BEGIN IONS FEATURE_ID=8802 PEPMASS=489.0918 SCANS=8802 RTINSECONDS=1727.204 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 72.9919 1.6E2 107.0507 1.9E2 108.0206 1.5E2 113.0258 1.3E2 123.0436 1.1E2 124.0480 2.0E2 135.0442 6.5E3 135.1227 1.6E2 135.1552 1.4E2 136.0436 2.6E2 136.0493 6.1E2 150.0265 1.4E2 151.0425 6.5E2 162.0243 1.2E2 167.0399 1.8E2 174.5802 1.0E2 177.0187 3.8E2 179.0301 2.3E2 197.0462 1.1E3 198.0454 1.1E2 201.0112 2.1E2 214.1240 1.3E2 237.0422 1.0E2 264.0454 1.0E2 265.0506 6.8E2 266.0569 2.7E2 267.0694 1.3E3 267.1273 1.2E2 269.0337 3.1E2 269.0438 2.8E2 281.0410 1.6E2 283.7788 1.1E2 285.0411 4.0E3 285.1434 2.7E2 286.0400 9.7E2 293.0423 4.3E2 293.0483 4.1E2 294.0561 1.2E2 296.8816 1.4E2 305.2118 1.1E2 309.0390 1.4E3 309.6309 1.5E2 310.0511 4.7E2 311.0562 4.6E4 311.8990 1.9E2 312.0599 7.2E3 312.1735 3.2E2 312.2155 1.4E2 312.3270 1.1E2 312.4036 2.1E2 312.5088 1.1E2 312.5345 1.0E2 312.7441 1.0E2 313.0567 5.1E2 313.1739 1.1E2 313.2229 1.1E2 313.3160 1.9E2 313.5435 1.3E2 313.6978 1.2E2 314.0272 2.2E2 324.0609 1.9E2 327.2110 1.1E2 329.2304 2.3E2 363.5954 1.2E2 385.0865 1.1E2 391.1599 2.2E2 430.0940 1.3E2 445.0912 4.4E2 447.1040 1.6E2 449.0883 3.2E2 489.0868 2.1E2 490.0792 1.2E2 490.0918 1.3E2 490.2487 1.1E2 491.0996 1.8E4 491.2801 5.7E2 491.6222 1.6E2 492.1059 3.9E3 492.2662 2.6E2 492.2829 1.9E2 492.3359 2.0E2 492.5821 1.2E2 493.0960 3.9E2 493.2853 1.0E2 493.4141 1.1E2 493.4836 1.1E2 494.3716 1.4E2 504.0808 1.4E2 562.3330 1.6E2 END IONS BEGIN IONS FEATURE_ID=8808 PEPMASS=353.0265 SCANS=8808 RTINSECONDS=1729.36 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0145 1.7E2 140.0678 1.7E2 149.0206 1.3E2 156.8899 1.3E2 189.1547 1.4E2 195.0417 1.7E2 201.1271 1.8E2 203.2736 2.0E2 207.0715 1.1E2 212.1203 1.0E2 285.0390 5.7E3 285.1914 2.2E2 286.0401 1.5E3 286.1322 1.9E2 287.0460 1.6E2 288.0472 1.7E2 298.0754 1.5E2 309.0254 1.9E2 309.1193 1.0E2 310.0255 1.8E2 311.0084 1.7E2 353.0107 2.3E2 357.2159 1.7E2 547.4024 1.0E2 END IONS BEGIN IONS FEATURE_ID=8810 PEPMASS=759.2831 SCANS=8810 RTINSECONDS=1729.36 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0139 8.0E2 89.0262 5.8E2 92.9249 2.3E2 101.0307 1.6E2 102.0241 2.2E2 113.0217 1.5E2 119.0340 1.4E2 128.0443 1.1E2 137.0941 1.6E2 150.0319 1.2E2 180.0421 1.4E2 190.0529 1.4E2 217.0910 1.4E2 339.1135 1.8E2 345.2935 1.2E2 353.0950 1.3E2 357.1199 1.3E2 368.1231 1.7E2 383.1446 1.4E2 402.1483 1.1E2 490.1952 1.4E2 491.1512 1.9E2 573.5917 1.6E2 648.2662 1.1E2 END IONS BEGIN IONS FEATURE_ID=8816 PEPMASS=285.0392 SCANS=8816 RTINSECONDS=1730.605 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 12 (0 removed due to low quality, 7 removed due to low cosine). 63.0234 1.5E3 63.0453 1.0E2 65.0039 2.1E3 67.0062 1.1E2 70.9913 1.2E2 77.0421 3.9E2 79.0162 3.6E2 81.0347 2.6E2 83.0133 8.2E2 84.9576 2.6E2 89.0213 2.6E2 89.0427 2.0E2 92.9317 1.2E2 93.0319 1.7E2 94.9249 1.8E2 104.0263 1.0E2 105.0319 3.8E2 105.0360 4.7E2 107.0122 1.6E3 108.0183 2.9E2 110.0240 1.2E2 115.0182 1.1E2 115.0599 2.6E2 121.0252 1.7E2 121.0304 5.6E2 126.9649 1.4E2 128.9818 1.3E2 131.8983 1.4E2 132.0180 6.7E2 132.0243 5.2E2 133.0279 1.7E4 133.0818 2.7E2 133.0922 1.7E2 133.1028 1.1E2 133.1302 4.6E2 134.0322 1.5E3 135.0342 1.2E2 141.0272 1.2E2 145.0331 1.6E2 148.0406 1.5E2 149.0225 1.1E2 149.9027 1.8E2 151.0023 7.5E2 151.0085 3.2E2 154.0407 1.5E2 154.0474 1.1E2 172.0105 1.1E2 174.0261 1.1E2 174.0396 1.9E2 175.0372 4.6E2 175.0494 1.4E2 183.0381 2.5E2 183.0427 1.0E2 192.8685 1.2E2 195.8723 2.0E2 197.0140 1.6E2 197.9029 1.3E2 198.0318 1.1E2 199.0257 1.7E2 286.0398 1.5E2 369.5251 1.6E2 464.0124 1.2E2 600.7380 2.5E2 621.4841 1.8E2 END IONS BEGIN IONS FEATURE_ID=8820 PEPMASS=491.0972 SCANS=8820 RTINSECONDS=1731.85 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0420 9.4E2 179.0249 1.5E2 197.0458 3.0E2 265.0429 1.0E2 267.0662 4.5E2 268.0666 1.1E2 269.0501 1.1E2 270.0411 1.7E2 277.1824 1.3E2 295.0590 1.8E2 308.4750 1.2E2 311.0529 4.7E3 312.0542 1.1E3 312.3077 1.0E2 313.0570 2.9E2 313.1064 1.2E2 313.2274 1.8E2 491.0909 2.0E3 491.2836 2.8E2 492.0938 7.5E2 493.0898 1.6E2 494.0407 1.4E2 END IONS BEGIN IONS FEATURE_ID=8824 PEPMASS=507.0923 SCANS=8824 RTINSECONDS=1731.85 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 76.8074 1.6E2 90.6515 1.1E2 97.9942 1.6E2 109.0330 1.2E2 135.0469 3.9E2 135.0813 1.4E2 145.0333 3.0E2 157.0276 4.2E2 173.0198 1.1E2 174.0268 1.3E2 235.0357 2.1E2 253.0441 1.5E2 254.0569 2.1E2 255.0671 1.4E2 263.0345 5.6E2 264.0377 2.9E2 265.0504 1.7E2 266.0574 1.2E2 267.0747 1.1E2 281.0449 5.7E2 283.0597 3.2E3 283.2060 2.1E2 284.0656 4.2E2 308.0363 1.1E2 309.0386 9.5E2 309.6317 1.0E2 311.0664 2.5E2 312.0700 2.6E2 327.0502 9.3E2 328.0596 1.4E2 380.0664 1.4E2 556.7883 1.1E2 568.0931 2.3E2 END IONS BEGIN IONS FEATURE_ID=8827 PEPMASS=283.0236 SCANS=8827 RTINSECONDS=1732.245 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 63.0254 3.9E2 65.0016 5.9E2 77.0418 2.6E2 81.0320 1.0E2 83.0141 7.1E2 84.9940 2.0E2 105.0332 5.3E2 105.0564 1.1E2 107.0138 4.3E3 107.1094 2.1E2 108.0160 2.7E2 109.0136 1.9E2 115.0234 1.4E2 121.0282 9.3E2 131.0498 1.6E2 132.0214 2.6E2 132.0526 1.1E2 133.0291 1.5E4 134.0341 3.8E2 134.0686 1.6E2 134.1193 1.3E2 135.0399 1.4E2 143.0537 2.1E2 147.7905 2.2E2 148.0152 2.6E2 149.0227 4.5E3 149.1057 2.2E2 149.1940 1.1E2 150.0245 4.0E2 150.0508 1.2E2 150.3153 1.6E2 151.0023 1.6E4 151.1135 7.0E2 151.3964 1.6E2 151.8603 1.3E2 151.9261 2.0E2 152.0019 1.1E3 152.0338 2.1E2 152.0802 1.0E2 153.0671 1.6E2 154.8912 2.0E2 157.0639 3.1E2 158.0337 1.8E2 161.0526 1.4E2 163.9537 1.3E2 164.0061 2.1E2 165.6873 1.1E2 169.0628 5.6E2 171.0484 6.8E2 173.0190 2.8E2 173.0623 6.2E2 174.0662 3.7E2 175.0391 7.7E3 175.1561 3.0E2 175.2284 1.3E2 175.4853 1.1E2 176.0436 7.6E2 177.0127 5.0E2 178.0192 2.4E2 185.0642 2.9E2 188.0454 1.1E2 189.0497 4.5E2 195.0433 2.1E2 197.0588 8.8E2 197.1279 1.0E2 198.0353 1.5E3 199.0378 5.2E3 199.1669 2.6E2 199.3414 1.1E2 200.0504 6.0E2 201.0190 2.0E3 201.1449 1.6E2 203.6349 1.4E2 211.0456 3.6E2 212.0462 1.2E2 213.0527 2.2E3 213.1271 1.1E2 213.1887 1.1E2 214.0467 2.3E2 215.0327 9.9E2 217.0491 4.2E3 217.1308 2.0E2 217.1871 1.9E2 218.0514 6.7E2 223.0358 8.1E2 224.0437 3.4E2 226.0231 2.7E2 227.0315 1.8E2 229.0494 7.7E2 230.0452 1.4E2 239.0355 6.7E2 240.0470 6.0E2 241.0504 3.1E3 241.2043 1.3E2 242.0134 2.0E2 242.0549 3.3E2 243.0299 2.2E3 243.1724 1.5E2 244.0329 2.5E2 245.0498 1.1E2 250.0177 1.4E2 255.0270 3.5E3 255.1257 1.3E2 255.1749 1.5E2 255.2173 1.4E2 255.2738 1.1E2 256.0276 8.8E2 257.0438 1.2E3 258.0601 1.8E2 267.0313 1.1E3 270.0230 1.4E2 277.4730 1.5E2 282.0331 2.2E2 282.1019 1.2E2 282.1875 1.2E2 282.2304 1.3E2 282.3319 1.1E2 282.4693 1.3E2 282.5762 1.3E2 283.0249 2.4E2 283.0968 1.5E2 283.2105 1.3E2 283.2992 1.2E2 283.4193 1.9E2 283.8257 2.3E2 283.8677 1.1E2 284.0287 4.1E2 284.3142 1.1E2 284.3502 1.4E2 284.4879 1.2E2 284.6342 1.2E2 284.7491 1.1E2 284.8475 1.8E2 285.0395 1.6E5 285.8891 2.0E2 286.0425 2.5E4 286.8909 2.2E2 287.0454 9.3E2 287.1821 1.9E2 287.3023 1.8E2 287.3866 1.3E2 287.4391 2.2E2 287.4866 1.6E2 287.5776 1.2E2 287.8833 1.3E2 288.0989 1.7E2 288.2197 2.6E2 288.2776 1.3E2 288.4294 1.1E2 288.6057 2.1E2 288.7390 2.2E2 289.5071 1.0E2 289.7083 1.1E2 289.8327 1.1E2 290.4471 1.1E2 290.6109 1.2E2 292.0399 1.4E2 292.6340 1.1E2 294.2186 1.2E2 559.6062 1.1E2 570.6127 1.2E2 709.4184 1.0E2 END IONS BEGIN IONS FEATURE_ID=8844 PEPMASS=955.2886 SCANS=8844 RTINSECONDS=1737.307 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 132.0196 1.7E2 145.0283 5.3E2 149.0556 2.4E2 163.0377 5.9E2 174.9954 1.1E2 175.0387 1.4E3 177.0424 1.8E2 193.0445 1.6E2 205.0433 2.2E2 207.0801 2.0E2 249.1106 1.1E2 261.0736 1.5E2 279.1764 1.3E2 281.6644 1.1E2 285.0350 1.6E2 371.1786 1.4E2 451.1214 1.5E2 487.1387 2.4E2 534.0908 1.3E2 554.2328 1.4E2 615.1699 2.0E2 633.1835 1.7E3 633.3431 1.3E2 633.7310 1.1E2 634.1949 4.1E2 635.1792 1.8E2 663.1794 3.6E2 685.5670 2.3E2 764.7445 1.8E2 765.1900 1.5E2 779.2445 1.2E2 809.2354 1.2E3 809.3388 1.6E2 810.2338 8.4E2 811.2237 1.2E2 955.2721 1.1E2 END IONS BEGIN IONS FEATURE_ID=8860 PEPMASS=505.1109 SCANS=8860 RTINSECONDS=1741.28 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 77.0361 1.2E2 83.0498 1.4E2 109.0293 3.9E2 151.0383 4.9E2 152.9922 1.6E2 196.0500 2.1E2 201.0176 1.8E2 231.0184 1.6E2 237.0536 4.9E2 238.0404 1.2E2 247.0382 2.2E2 248.0349 4.5E2 249.0548 3.0E2 251.0365 1.8E2 265.0509 3.8E2 265.1453 1.0E2 267.0634 1.8E2 276.0464 1.2E2 277.0457 3.2E2 278.0516 2.1E2 279.0275 4.4E2 281.0437 3.7E2 293.0490 6.3E2 293.1202 1.2E2 294.0500 1.6E2 294.8562 1.4E2 295.0632 1.8E2 303.0166 2.4E2 304.1519 1.2E2 320.0594 2.9E2 321.0431 1.9E2 377.1635 1.1E2 END IONS BEGIN IONS FEATURE_ID=8864 PEPMASS=613.2302 SCANS=8864 RTINSECONDS=1742.535 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9934 1.0E2 85.0338 1.3E2 105.0339 1.1E2 123.5839 1.4E2 137.0251 1.2E2 149.0214 3.5E2 149.0681 1.6E2 150.0349 2.1E2 151.0370 1.5E2 152.0465 1.3E2 164.9173 1.4E2 165.0543 1.1E3 166.0408 2.1E2 180.0396 2.0E2 181.0490 3.1E2 190.0525 1.4E2 197.0478 2.4E2 200.0498 1.6E2 205.0444 1.6E2 207.0704 1.0E2 212.2730 1.6E2 265.0475 1.4E2 286.0263 1.0E2 317.1431 1.3E2 372.1256 2.6E2 387.1168 1.1E2 388.1130 1.6E2 402.1376 1.1E2 417.2536 1.1E2 505.1423 1.5E2 535.1720 1.8E2 END IONS BEGIN IONS FEATURE_ID=8876 PEPMASS=573.1005 SCANS=8876 RTINSECONDS=1744.906 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 72.9927 1.2E2 95.0124 1.5E2 109.0337 3.5E2 135.0434 2.2E2 174.0288 1.4E2 185.0214 3.6E2 186.0241 1.9E2 225.0592 1.8E2 234.4699 1.1E2 237.0464 2.0E2 239.0711 2.1E2 267.0562 2.7E2 277.0484 4.3E2 278.0175 1.4E2 279.0228 1.1E2 285.0334 1.4E2 286.0439 2.0E2 289.0449 2.0E2 292.0456 1.0E2 294.0465 2.0E2 295.0554 2.4E2 299.2385 2.4E2 301.0111 3.2E2 312.0580 1.2E2 317.0382 1.5E3 318.1407 1.3E2 330.8091 1.5E2 345.9406 1.2E2 347.1456 1.3E2 348.9884 1.3E2 361.0223 1.8E2 376.0730 1.0E2 414.0315 1.9E2 436.1053 1.5E2 575.1867 1.4E2 END IONS BEGIN IONS FEATURE_ID=8888 PEPMASS=609.0759 SCANS=8888 RTINSECONDS=1745.968 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 100.3307 1.1E2 123.0388 1.0E2 173.0265 2.2E2 177.0785 1.3E2 247.0274 1.6E2 295.0631 2.0E2 317.0397 3.6E2 321.0392 1.1E2 337.0246 1.2E2 353.0554 3.5E2 361.0300 3.5E2 362.0262 2.7E2 362.1123 1.3E2 393.0505 1.5E3 394.0660 1.4E2 394.5037 1.1E2 429.0334 1.6E2 480.3200 1.0E2 515.2111 1.1E2 524.1015 1.2E2 541.0644 2.3E2 563.0871 1.4E2 571.9825 1.5E2 573.0878 1.2E3 573.2368 1.2E2 573.3098 1.1E2 574.0907 5.2E2 575.0824 2.9E2 577.0327 1.0E2 609.1665 1.2E2 611.2732 1.3E2 613.3007 1.2E2 721.4939 1.7E2 844.9797 1.6E2 END IONS BEGIN IONS FEATURE_ID=8898 PEPMASS=551.1173 SCANS=8898 RTINSECONDS=1747.286 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 24 (0 removed due to low quality, 23 removed due to low cosine). 72.9929 2.1E2 109.0288 1.1E3 109.0566 2.3E2 110.0306 1.3E2 123.0473 2.3E2 135.0417 6.7E2 135.4767 1.2E2 149.0207 1.1E2 172.0099 1.1E2 185.0263 1.7E2 219.0348 1.3E2 221.0541 2.2E2 222.0609 1.0E2 231.0278 5.6E2 233.0562 2.9E2 249.0590 7.2E2 250.0613 1.2E2 265.0457 1.9E2 267.0611 1.5E2 276.0424 2.7E2 277.0520 3.2E2 279.0243 1.6E2 280.0291 1.5E2 293.0429 1.2E3 293.1207 1.5E2 294.0517 4.3E2 321.0381 2.1E3 321.2009 1.1E2 322.0407 4.1E2 323.0479 4.1E2 339.0496 1.2E2 END IONS BEGIN IONS FEATURE_ID=8906 PEPMASS=505.1097 SCANS=8906 RTINSECONDS=1748.604 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0281 3.8E2 121.0289 1.0E2 124.0097 1.6E2 129.0330 1.1E2 135.0483 1.8E2 145.0338 1.1E2 151.0363 2.9E2 159.0441 1.2E2 171.0416 1.2E2 172.0133 3.0E2 174.0296 3.3E2 185.0159 1.8E2 199.0381 1.4E2 209.1510 1.6E2 214.0292 1.2E2 219.0458 3.0E2 231.0333 3.6E2 249.0542 3.5E2 263.0405 5.1E2 264.0373 1.6E2 265.0454 6.2E2 265.1151 1.2E2 268.0343 2.2E2 269.0427 1.7E2 275.0529 1.2E2 279.0291 1.3E2 281.0469 8.8E2 282.0606 1.3E2 283.0589 2.4E3 284.0633 1.1E2 293.0465 2.0E2 294.0535 2.0E2 295.0588 1.4E2 304.0204 1.4E2 309.0454 4.5E2 311.0624 1.6E2 321.0320 5.4E2 321.1297 1.0E2 322.0534 1.8E2 325.0429 1.9E2 327.0465 7.9E2 335.0547 1.1E2 345.9377 1.2E2 END IONS BEGIN IONS FEATURE_ID=8913 PEPMASS=489.2667 SCANS=8913 RTINSECONDS=1750.52 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0325 2.8E2 74.0274 1.6E2 85.0262 2.9E2 89.0230 1.2E2 99.0039 1.1E2 101.0258 2.3E2 102.0269 1.4E2 108.0470 1.8E2 109.0283 1.3E2 115.1442 1.1E2 116.9259 1.3E2 123.0066 1.6E2 123.0460 1.8E2 135.0416 5.4E2 135.0777 1.0E2 149.0972 1.3E2 161.0190 1.1E2 162.9538 2.6E2 165.0506 1.1E2 179.0401 1.0E2 183.1376 1.5E2 212.1317 1.4E2 219.0354 1.1E2 239.1591 7.4E2 239.2231 1.1E2 241.1767 2.1E2 267.0647 3.1E2 267.1104 1.1E2 309.0168 1.3E2 311.0533 4.6E2 312.0676 1.4E2 327.2128 2.5E2 493.2888 1.2E2 END IONS BEGIN IONS FEATURE_ID=8923 PEPMASS=637.3770 SCANS=8923 RTINSECONDS=1755.761 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0158 7.9E2 73.0297 1.2E2 85.0325 1.5E2 87.0126 1.8E2 89.0242 6.4E2 94.0378 1.0E2 101.0243 3.8E2 111.0091 1.3E2 113.0236 3.6E2 115.0404 1.2E2 119.0307 2.3E2 124.0127 1.9E2 149.0367 3.6E2 159.0282 3.3E2 160.0408 1.2E2 161.0478 1.8E2 231.0310 2.1E2 240.9342 2.6E2 281.0346 2.7E2 301.0124 1.5E2 317.0341 1.5E2 361.0396 1.1E2 409.1062 1.3E2 469.0796 1.4E2 501.1451 1.8E2 505.3362 1.3E2 506.3312 2.1E2 507.3459 3.8E2 508.3468 1.3E2 END IONS BEGIN IONS FEATURE_ID=8927 PEPMASS=850.1667 SCANS=8927 RTINSECONDS=1755.761 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 109.0288 2.1E2 150.0241 1.8E2 163.0361 1.1E2 173.0437 1.1E2 247.0134 1.3E2 248.0156 3.5E2 283.0576 1.3E2 283.9178 1.1E2 295.0599 9.1E2 295.4717 1.2E2 296.0595 7.1E2 296.1480 1.2E2 296.8143 1.0E2 297.0706 2.8E2 311.0591 1.5E2 326.0794 1.2E2 335.1210 1.2E2 339.0493 5.3E2 339.1002 1.4E2 340.0445 3.8E2 340.1029 1.1E2 357.0584 1.3E3 358.0625 8.4E2 359.0600 3.2E2 360.0583 1.1E2 375.0609 1.1E2 626.1225 2.7E2 652.1076 3.1E2 653.1115 1.7E2 END IONS BEGIN IONS FEATURE_ID=8930 PEPMASS=257.1376 SCANS=8930 RTINSECONDS=1756.115 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 125.0912 1.7E2 126.0992 4.7E2 149.9066 1.6E2 151.9181 1.3E2 153.0910 1.2E2 163.1106 1.3E2 181.1272 5.3E2 207.0942 1.0E2 END IONS BEGIN IONS FEATURE_ID=8932 PEPMASS=213.1115 SCANS=8932 RTINSECONDS=1756.115 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 151.1074 1.7E2 169.1184 1.5E2 176.9773 1.5E2 213.3528 1.2E2 215.0053 1.4E2 END IONS BEGIN IONS FEATURE_ID=8934 PEPMASS=675.3625 SCANS=8934 RTINSECONDS=1758.227 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 113.0229 1.5E2 200.1128 1.3E2 229.0063 1.2E2 373.0857 1.5E2 382.9447 1.3E2 400.9729 1.2E2 455.0200 2.3E2 477.5784 1.0E2 497.2471 1.9E2 567.0440 2.0E2 637.3873 1.9E2 640.3819 1.6E2 675.3685 1.1E3 675.5200 1.0E2 676.3726 7.5E2 676.5349 1.1E2 676.7652 1.1E2 677.3800 4.7E2 678.1955 2.1E2 678.3865 2.2E2 803.2844 1.0E2 END IONS BEGIN IONS FEATURE_ID=8942 PEPMASS=543.3264 SCANS=8942 RTINSECONDS=1758.504 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (2 removed due to low quality, 5 removed due to low cosine). 89.0223 1.8E2 114.9399 1.4E2 152.0116 1.4E2 255.0480 2.7E2 339.1338 1.6E2 466.2160 1.1E2 END IONS BEGIN IONS FEATURE_ID=8945 PEPMASS=849.1638 SCANS=8945 RTINSECONDS=1759.496 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.9886 2.3E2 137.0230 1.4E2 145.0260 1.0E2 161.0238 1.2E2 186.0481 1.0E2 190.0168 1.5E2 203.0280 1.0E2 237.0517 1.1E2 265.0511 3.0E2 267.0644 2.5E2 283.0545 5.2E2 284.0547 1.5E2 295.0576 1.6E3 296.0599 5.4E2 311.0517 7.6E2 311.1027 1.3E2 312.0526 2.0E2 313.0586 1.8E2 315.0785 1.1E2 327.2162 1.7E2 339.0498 5.0E2 357.0561 1.3E3 358.0654 2.0E2 469.9958 2.1E2 508.0879 1.3E2 534.0930 1.0E2 651.1081 5.8E2 652.1105 5.1E2 652.2098 1.1E2 653.8974 1.3E2 791.0456 1.1E2 981.1438 1.3E2 END IONS BEGIN IONS FEATURE_ID=8953 PEPMASS=871.1461 SCANS=8953 RTINSECONDS=1760.692 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 97.3836 1.0E2 143.0334 1.5E2 295.0632 2.0E2 333.0376 1.4E2 336.0283 1.8E2 337.0437 1.6E2 339.0452 1.9E2 357.0566 1.4E2 361.0336 1.6E2 362.0352 1.3E2 369.1400 1.4E2 379.0450 2.7E2 383.9477 1.1E2 541.0575 1.6E2 543.1716 1.0E2 559.0622 1.1E2 647.1266 1.3E2 648.1175 1.8E2 668.3835 1.6E2 673.0877 4.9E2 674.0961 2.7E2 675.2087 1.1E2 690.1559 1.1E2 691.1176 1.6E2 693.1250 1.1E2 772.2639 1.1E2 837.0757 1.1E2 871.1558 9.8E2 871.3253 1.7E2 871.4058 1.1E2 871.5059 1.2E2 871.5865 1.0E2 872.1458 6.6E2 872.7661 1.2E2 873.1058 1.4E2 873.2722 1.2E2 874.1748 1.7E2 875.1911 1.3E2 END IONS BEGIN IONS FEATURE_ID=8956 PEPMASS=473.1077 SCANS=8956 RTINSECONDS=1760.765 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0094 1.5E2 96.9553 1.1E2 117.0318 2.6E2 135.0478 1.3E2 136.0154 1.1E2 167.1400 1.2E2 173.1317 1.0E2 239.0465 1.3E2 268.0364 2.7E3 268.1635 1.5E2 268.2367 1.2E2 268.7112 1.4E2 269.0446 1.8E3 269.1551 1.0E2 270.0574 3.2E2 276.0381 1.1E2 295.0664 1.7E2 313.0271 2.0E2 441.0303 1.5E2 END IONS BEGIN IONS FEATURE_ID=8959 PEPMASS=509.0853 SCANS=8959 RTINSECONDS=1760.765 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9876 1.8E2 110.0242 1.2E2 135.0359 1.5E2 240.0515 1.9E2 266.0483 1.0E2 268.0341 3.3E3 268.1761 1.7E2 269.0423 3.0E3 269.1793 1.6E2 269.4449 1.6E2 270.0456 7.9E2 270.1034 1.2E2 274.7335 1.1E2 282.0542 1.5E2 285.0968 2.2E2 305.1681 1.2E2 473.1043 3.7E2 END IONS BEGIN IONS FEATURE_ID=8974 PEPMASS=850.1675 SCANS=8974 RTINSECONDS=1763.157 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.9953 1.3E2 109.0309 2.1E2 121.0283 1.5E2 149.0224 1.1E2 176.0455 1.0E2 185.0268 1.5E2 209.0610 2.1E2 210.0714 1.0E2 227.0603 1.2E2 255.0659 1.6E2 267.0610 2.3E2 268.0683 1.2E2 270.0937 2.2E2 277.0497 1.3E2 295.0580 1.7E3 296.0620 1.1E3 296.1502 1.1E2 311.0515 9.1E2 312.0605 3.3E2 332.0686 1.3E2 339.0507 4.5E2 340.0519 5.1E2 357.0559 1.4E3 357.2332 1.2E2 358.0649 9.2E2 359.0609 4.6E2 594.6243 2.5E2 651.1109 2.2E2 652.1063 2.9E2 653.0922 1.2E2 804.0942 1.0E2 END IONS BEGIN IONS FEATURE_ID=8978 PEPMASS=639.2992 SCANS=8978 RTINSECONDS=1764.444 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0280 1.5E2 89.0243 2.1E2 94.9238 2.4E2 113.0228 2.5E2 114.0277 1.7E2 159.0335 1.6E2 161.0398 1.3E2 303.1224 2.6E2 345.1530 1.7E2 412.1941 1.6E2 415.0450 1.2E2 477.2319 3.5E2 478.2410 3.2E2 555.6132 1.2E2 566.2873 1.3E2 593.3272 1.1E2 606.2596 1.5E2 639.3006 7.8E2 639.4227 1.1E2 640.3104 6.4E2 641.2254 1.1E2 641.3095 1.3E2 642.2896 1.8E2 END IONS BEGIN IONS FEATURE_ID=8999 PEPMASS=371.0769 SCANS=8999 RTINSECONDS=1773.589 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 77.0440 2.4E2 79.0565 2.3E3 80.0605 1.4E2 89.0399 3.0E2 91.0557 1.4E3 91.0887 1.9E2 96.9916 1.3E2 104.0302 1.0E2 105.0375 5.5E2 106.0436 9.7E2 107.0517 2.8E3 107.1098 1.2E2 107.4068 1.0E2 108.0218 2.7E2 108.0533 1.7E2 109.0251 3.6E2 117.0335 2.6E3 117.1017 1.1E2 117.1331 1.2E2 118.0395 5.3E2 119.0914 1.6E2 121.0313 3.5E2 122.0350 1.4E2 127.9902 1.4E2 130.9628 1.5E2 132.0693 1.1E2 133.0293 4.5E3 133.1345 1.8E2 133.1637 1.0E2 134.0363 1.4E4 134.1429 7.5E2 134.3349 1.9E2 134.4335 1.1E2 134.5324 1.1E2 134.6606 1.5E2 135.0447 1.1E5 135.1514 5.9E3 135.6276 2.3E2 135.6549 2.0E2 135.7263 2.3E2 135.7819 1.8E2 135.8949 1.3E2 135.9653 2.0E2 136.0477 8.1E3 136.1508 3.0E2 136.1829 1.7E2 136.2717 2.2E2 136.3367 1.2E2 136.4155 1.3E2 136.5926 1.9E2 136.8295 1.8E2 137.0538 3.3E2 137.5523 1.0E2 137.6566 1.3E2 137.9091 1.0E2 137.9596 1.2E2 138.2925 1.0E2 138.3411 1.0E2 139.2558 1.0E2 140.9973 1.0E2 145.0300 1.9E2 146.0222 1.4E2 151.0448 1.5E2 159.0358 1.6E2 161.0226 3.3E3 161.1379 2.1E2 161.1628 1.1E2 162.0308 3.1E2 165.0524 5.3E2 174.0313 1.8E2 179.0342 6.5E3 179.1081 3.1E2 179.1506 2.7E2 179.1924 1.8E2 180.0356 3.1E2 191.0328 2.4E2 211.0681 1.1E2 316.7376 1.2E2 494.2367 2.7E2 763.6261 1.1E2 897.7645 1.2E2 END IONS BEGIN IONS FEATURE_ID=9000 PEPMASS=409.0681 SCANS=9000 RTINSECONDS=1772.904 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 18 (0 removed due to low quality, 12 removed due to low cosine). 72.9973 1.2E2 79.0503 2.7E2 79.0547 4.8E2 84.0436 1.6E2 91.0575 3.8E2 105.0300 1.1E2 107.0461 3.3E2 107.0514 7.8E2 109.0662 1.5E2 114.9879 3.5E2 117.0296 1.2E2 117.0357 1.2E2 124.0137 1.2E2 132.9006 1.2E2 133.0279 1.2E3 134.0349 1.8E3 134.0390 8.8E2 134.0617 3.1E2 134.0697 1.1E2 135.0438 3.7E4 135.1515 9.0E2 135.1793 1.1E2 136.0467 4.5E3 136.0799 1.9E2 136.1172 1.2E2 137.0447 3.9E2 137.0547 1.2E2 149.0616 1.1E2 151.0378 1.1E2 155.2160 1.1E2 161.0135 4.2E2 161.0194 2.8E2 161.0266 2.6E2 161.0310 1.1E2 162.0243 2.9E2 163.0371 1.3E2 164.0767 1.1E2 169.0147 1.9E2 175.0378 1.1E2 178.0157 1.5E2 178.9292 1.2E2 179.0328 1.1E4 179.0954 1.9E2 179.1210 1.7E2 179.1541 2.5E2 179.8560 1.2E2 180.0340 9.1E2 180.0375 3.6E2 188.1305 1.0E2 191.0232 1.6E2 193.0506 1.2E2 193.0649 1.0E2 205.1261 1.0E2 253.0451 1.5E2 256.0429 1.7E2 281.0353 1.1E2 290.0550 1.3E2 291.9477 1.8E2 309.1075 2.1E2 428.0496 1.4E2 554.6305 2.9E2 END IONS BEGIN IONS FEATURE_ID=9003 PEPMASS=373.0917 SCANS=9003 RTINSECONDS=1773.702 CHARGE=1- MSLEVEL=2 MERGED_STATS=9 / 18 (0 removed due to low quality, 9 removed due to low cosine). 61.8765 1.3E2 77.0354 2.6E2 79.0171 1.1E2 79.0568 1.1E3 79.0819 1.1E2 80.0241 1.7E2 89.0376 4.7E2 91.0592 1.3E2 94.0370 2.0E2 103.0004 2.4E2 105.0310 5.1E2 106.0382 1.3E2 106.0438 1.6E2 107.0495 1.1E3 108.0196 2.0E2 108.0538 1.4E2 117.0356 7.2E2 118.0400 1.6E2 118.0475 1.3E2 123.0815 1.1E2 124.0451 1.5E2 125.0960 1.8E2 126.9244 1.4E2 130.9644 1.7E2 132.0214 1.6E2 132.9963 1.1E2 133.0227 1.1E2 133.0269 2.3E3 133.0561 1.2E2 133.8585 1.1E2 134.0320 2.4E2 134.0363 6.0E3 134.0744 1.1E2 134.1057 1.3E2 134.1436 1.0E2 135.0436 3.7E4 135.1081 1.9E2 135.1459 1.8E2 135.1508 1.0E3 135.1789 1.0E2 135.5471 1.0E2 135.6058 1.1E2 136.0466 2.4E3 136.0517 6.1E2 136.0812 1.9E2 136.1984 1.8E2 137.0436 2.7E2 137.0552 1.2E2 147.0458 1.2E2 149.0587 1.6E2 153.0887 1.5E2 161.0236 7.0E2 161.0340 1.1E2 162.0504 2.0E2 165.0528 2.4E2 169.1128 1.2E2 179.0309 1.9E3 179.0349 1.7E2 179.5788 1.1E2 181.0329 1.7E2 188.0312 1.1E2 197.4242 1.0E2 204.1109 2.0E2 204.5730 1.4E2 259.2392 1.1E2 272.0324 1.9E2 329.2389 1.8E2 358.0003 1.1E2 372.4348 1.3E2 628.8408 1.1E2 648.0426 1.8E2 738.9549 1.2E2 END IONS BEGIN IONS FEATURE_ID=9017 PEPMASS=667.3855 SCANS=9017 RTINSECONDS=1777.197 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0156 1.2E2 101.5859 1.0E2 119.0353 1.1E2 161.0472 1.4E2 190.9975 1.4E2 191.0647 2.2E2 435.0523 1.2E2 499.2093 1.0E2 505.3319 2.1E2 507.3443 1.1E2 518.6818 1.2E2 555.3295 1.7E2 566.1782 1.7E2 591.0425 1.7E2 631.3127 2.3E2 667.3867 2.7E3 668.3855 1.4E3 669.2746 1.2E2 669.4023 3.4E2 670.2828 1.1E2 670.4089 1.4E2 END IONS BEGIN IONS FEATURE_ID=9018 PEPMASS=703.3617 SCANS=9018 RTINSECONDS=1777.197 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0147 1.1E2 89.0213 3.0E2 101.0274 1.2E2 119.0339 2.2E2 121.0660 1.1E2 125.0973 1.6E2 343.2744 1.5E2 345.1392 1.2E2 407.2385 1.8E2 487.3255 1.5E2 505.3308 4.4E2 506.3426 1.4E2 520.2499 1.1E2 657.4096 1.0E2 667.3922 2.3E2 668.3671 2.9E2 669.3780 2.7E2 END IONS BEGIN IONS FEATURE_ID=9027 PEPMASS=449.2721 SCANS=9027 RTINSECONDS=1779.569 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 141.8818 1.3E2 158.5291 1.0E2 179.9506 1.1E2 201.0146 1.3E2 221.8499 1.4E2 231.0610 1.0E2 245.1129 1.5E2 245.8278 1.2E2 290.1867 1.1E2 327.2040 1.6E2 358.0514 1.1E2 361.0325 1.1E2 403.1328 1.5E2 449.1140 1.5E2 449.2763 2.6E3 449.4195 1.7E2 450.2848 1.3E3 451.1858 2.2E2 END IONS BEGIN IONS FEATURE_ID=9029 PEPMASS=673.3539 SCANS=9029 RTINSECONDS=1780.186 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0404 3.5E2 181.7838 1.0E2 257.1055 1.2E2 260.4286 2.0E2 313.0634 1.5E2 506.3428 1.4E2 519.0992 1.1E2 632.4567 1.0E2 635.2041 1.1E2 637.3764 4.2E2 638.3752 2.2E2 639.4029 2.6E2 640.4015 1.7E2 673.3575 1.1E3 674.3476 2.3E2 675.3686 3.3E3 675.5155 2.2E2 675.5985 1.2E2 675.6750 1.3E2 675.7575 1.0E2 675.8015 1.0E2 676.2139 2.1E2 676.3706 8.6E2 676.4844 1.4E2 677.1714 1.4E2 677.3816 2.9E2 END IONS BEGIN IONS FEATURE_ID=9037 PEPMASS=325.2004 SCANS=9037 RTINSECONDS=1782.245 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (2 removed due to low quality, 5 removed due to low cosine). 69.0385 2.2E2 73.0325 1.1E2 83.0195 1.2E2 85.0290 1.8E2 97.0302 1.8E2 97.0663 1.5E2 141.0946 3.3E2 142.0941 1.3E2 167.0623 1.7E2 169.0835 1.8E2 185.0539 1.5E2 END IONS BEGIN IONS FEATURE_ID=9039 PEPMASS=583.2164 SCANS=9039 RTINSECONDS=1782.045 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 122.0411 1.0E2 137.0215 1.7E2 150.0298 1.4E2 151.0343 1.5E2 164.0439 4.9E2 165.0533 8.8E2 179.0275 1.4E2 190.0623 1.2E2 195.0639 6.5E2 196.0671 2.6E2 329.1016 2.1E2 357.1289 2.6E2 358.1399 1.8E2 375.1155 1.9E2 387.1441 4.1E2 449.2654 1.2E2 459.1535 1.8E2 505.1815 3.4E2 520.1870 1.2E2 535.1887 6.5E2 535.2805 1.7E2 536.2043 3.3E2 583.2477 1.4E2 584.2213 2.3E2 585.1782 1.5E2 696.4010 1.5E2 END IONS BEGIN IONS FEATURE_ID=9042 PEPMASS=705.3771 SCANS=9042 RTINSECONDS=1783.383 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0121 1.8E2 73.0251 1.7E2 85.0349 1.8E2 97.0280 1.4E2 101.0217 4.1E2 119.0349 2.2E2 143.0337 1.4E2 146.0611 1.4E2 179.0474 1.5E2 329.1821 1.7E2 331.1098 1.5E2 340.0524 1.6E2 439.2518 1.4E2 501.6877 1.5E2 505.3385 2.7E2 507.3595 4.0E2 523.0351 1.3E2 525.0036 1.1E2 625.0564 1.9E2 668.3950 1.8E2 669.4020 5.2E2 669.4729 1.6E2 670.3964 2.4E2 671.3786 1.6E2 671.6402 1.0E2 740.8337 1.2E2 END IONS BEGIN IONS FEATURE_ID=9053 PEPMASS=489.2681 SCANS=9053 RTINSECONDS=1787.383 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0135 1.4E2 85.0317 1.5E2 99.0426 1.9E2 101.0246 2.9E2 125.0266 1.6E2 156.8916 1.6E2 163.0043 1.3E2 169.0016 2.3E2 171.1041 3.8E2 181.1201 1.5E2 211.1390 1.2E2 223.1650 1.1E2 229.1388 1.3E2 239.1652 4.9E2 240.1579 1.7E2 251.1696 1.6E2 273.1783 1.1E2 291.2000 1.7E2 329.2252 1.6E2 573.5522 1.4E2 END IONS BEGIN IONS FEATURE_ID=9055 PEPMASS=639.3918 SCANS=9055 RTINSECONDS=1787.56 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0140 2.2E2 86.0335 1.5E2 89.0234 2.9E2 101.0296 3.3E2 101.4338 1.2E2 113.0225 3.2E2 119.0366 2.5E2 123.0397 1.7E2 129.0582 1.2E2 151.0299 1.2E2 159.0264 1.4E2 165.0863 1.2E2 167.0332 1.3E2 225.9391 1.6E2 312.2587 1.5E2 317.2150 1.3E2 345.2989 3.1E2 346.2980 1.6E2 361.2590 1.3E2 377.9623 1.1E2 417.1262 1.4E2 431.2639 1.4E2 507.3492 7.6E2 509.3564 2.6E2 549.0605 1.7E2 925.8480 1.1E2 END IONS BEGIN IONS FEATURE_ID=9059 PEPMASS=667.3884 SCANS=9059 RTINSECONDS=1788.483 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.0212 1.0E2 71.0146 5.9E2 71.0470 2.0E2 73.0283 1.9E2 86.0327 1.4E2 89.0241 3.0E2 99.0101 1.0E2 101.0245 3.2E2 102.0283 1.4E2 111.0113 1.1E2 113.0227 1.3E2 119.0263 2.6E2 165.1253 1.2E2 179.0503 2.2E2 224.0500 1.5E2 240.0400 1.0E2 248.0457 1.5E2 269.1189 1.1E2 292.1620 2.3E2 293.0415 1.1E2 311.0512 3.5E2 329.0570 1.4E2 337.0384 1.9E2 339.0466 1.6E2 347.1722 1.7E2 351.1749 1.0E2 420.9646 1.0E2 433.0227 1.4E2 471.0737 1.2E2 504.3066 1.5E2 505.3393 3.5E2 506.3497 1.9E2 506.4047 1.1E2 575.3045 1.1E2 667.3807 3.1E2 669.4018 1.9E2 END IONS BEGIN IONS FEATURE_ID=9061 PEPMASS=703.3654 SCANS=9061 RTINSECONDS=1788.483 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.6092 1.1E2 71.0091 1.9E2 89.0269 3.1E2 101.0295 3.5E2 120.0315 2.3E2 143.0371 1.1E2 145.0266 2.0E2 151.0326 1.7E2 179.0341 2.6E2 207.0998 1.9E2 305.1893 1.5E2 311.0551 2.0E2 315.1153 1.2E2 361.0331 2.4E2 487.3191 1.3E2 504.3308 2.4E2 505.3569 1.4E2 506.3326 2.5E2 507.3443 2.8E2 522.2265 1.1E2 576.4663 1.1E2 667.3821 3.6E2 667.4596 1.1E2 668.4192 3.6E2 669.4044 3.2E2 669.4790 1.9E2 670.4193 1.4E2 END IONS BEGIN IONS FEATURE_ID=9069 PEPMASS=675.3684 SCANS=9069 RTINSECONDS=1790.132 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0132 1.5E2 99.0051 1.4E2 101.0233 1.4E2 123.0079 1.4E2 135.0423 1.2E2 155.1039 1.0E2 159.0395 2.7E2 159.0802 1.4E2 161.0244 2.8E2 178.0167 1.2E2 215.0269 1.1E2 221.0627 1.6E2 296.0649 1.0E2 317.2279 2.1E2 341.0494 1.6E2 355.0642 1.8E2 369.0864 1.3E2 387.0498 1.2E2 507.3513 4.9E2 507.4366 1.0E2 631.2613 1.0E2 675.2909 1.4E2 END IONS BEGIN IONS FEATURE_ID=9075 PEPMASS=437.2282 SCANS=9075 RTINSECONDS=1790.119 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0477 1.2E2 107.9086 1.3E2 181.1257 2.0E2 274.0976 2.2E2 281.0813 1.1E2 END IONS BEGIN IONS FEATURE_ID=9087 PEPMASS=577.2844 SCANS=9087 RTINSECONDS=1795.117 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0290 1.7E2 89.0212 2.3E2 101.0243 3.6E2 101.0606 1.0E2 111.0059 2.3E2 115.0417 1.6E2 143.0653 1.0E2 149.0453 3.4E2 213.0354 1.3E2 219.0735 2.1E2 233.1211 1.2E2 326.0538 1.0E2 340.1015 1.7E2 341.2149 1.7E2 371.2791 1.1E2 375.2049 1.4E2 397.0937 1.1E2 399.2426 1.6E2 401.1448 1.5E2 416.1233 1.0E2 426.2290 1.8E2 427.0528 1.2E2 454.9377 1.2E2 501.3054 1.7E2 511.1686 1.6E2 517.1007 1.4E2 519.1395 1.1E2 531.2754 8.0E2 532.2798 6.9E2 533.2887 4.5E2 534.2983 2.9E2 545.3102 1.4E2 577.2831 1.9E2 579.2806 2.9E2 580.1490 1.5E2 581.1539 2.3E2 581.3416 1.5E2 704.6882 1.1E2 836.4455 1.1E2 END IONS BEGIN IONS FEATURE_ID=9106 PEPMASS=667.3852 SCANS=9106 RTINSECONDS=1803.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.5057 1.1E2 96.9560 1.4E2 97.0073 2.3E2 113.0231 1.8E2 221.0579 1.4E2 334.0133 1.1E2 339.0479 2.6E2 353.0543 1.5E2 385.2259 1.1E2 421.9006 2.0E2 423.2483 1.3E2 505.1289 1.9E2 505.3293 1.7E2 506.0732 1.2E2 507.3494 1.3E2 561.2506 1.2E2 564.2621 1.2E2 631.2517 1.3E2 667.3802 1.8E3 667.5438 1.6E2 668.3818 7.9E2 669.3193 1.1E2 669.3970 3.8E2 669.6951 1.1E2 670.1908 1.7E2 670.2693 1.8E2 670.4144 1.1E2 670.9080 3.0E2 END IONS BEGIN IONS FEATURE_ID=9115 PEPMASS=665.1696 SCANS=9115 RTINSECONDS=1802.631 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 71.0153 1.0E2 73.0291 2.8E2 83.0124 3.6E2 87.0125 1.2E2 87.0171 1.5E2 89.0205 3.1E2 89.0284 1.7E2 99.0050 1.9E2 101.0251 1.2E3 111.0817 1.6E2 119.0306 1.9E2 133.0594 1.4E2 136.9886 3.9E2 155.0339 1.8E2 163.0062 2.9E2 183.0427 2.1E2 212.0773 2.0E2 256.0352 1.8E2 265.3085 1.1E2 283.0163 1.5E2 283.0244 2.0E2 284.0299 3.6E3 285.0460 2.4E2 293.0405 1.4E2 298.0482 1.4E3 299.0547 2.1E4 299.2076 1.5E2 300.0577 5.2E3 300.1488 2.2E2 300.2584 2.6E2 300.9029 1.2E2 301.0591 5.3E2 301.1072 1.0E2 313.0647 1.7E2 336.9812 2.0E2 337.0240 1.1E2 338.0748 1.3E2 339.0964 1.8E2 402.0825 1.1E2 425.0901 1.3E2 429.0521 1.4E2 443.0917 3.9E2 461.1023 2.4E2 463.1139 1.7E2 471.0374 1.0E2 487.3431 1.1E2 488.1627 2.1E2 505.3318 1.3E2 506.3326 1.1E2 549.0954 1.1E2 591.8207 1.1E2 605.1620 1.4E2 607.1689 1.3E2 623.9912 1.1E2 665.1680 4.5E3 665.3684 5.9E2 665.4493 2.5E2 665.5521 1.3E2 666.1690 1.7E3 666.3905 1.1E2 666.6036 1.8E2 666.6742 1.1E2 667.1778 8.1E2 667.3839 8.4E2 667.5587 1.2E2 668.1702 2.4E2 668.3868 1.5E2 669.2699 1.0E2 776.0579 1.2E2 END IONS BEGIN IONS FEATURE_ID=9117 PEPMASS=733.1596 SCANS=9117 RTINSECONDS=1802.631 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9878 1.6E2 73.0292 1.8E2 101.0546 1.2E2 135.0441 1.6E2 138.1020 1.2E2 139.0369 1.1E2 149.0302 1.2E2 159.0578 1.2E2 162.0296 2.8E2 197.0367 1.0E2 200.3670 2.1E2 265.0919 2.2E2 283.6542 1.2E2 284.0364 2.3E2 299.0498 3.0E3 299.2056 1.3E2 300.0578 3.6E2 304.9069 2.6E2 312.0338 1.6E2 319.0052 1.1E2 321.0290 2.3E2 329.1367 1.5E2 350.0554 2.7E2 381.0495 1.5E2 435.0797 3.3E2 465.1029 1.4E2 480.2241 1.7E2 483.0742 1.9E2 484.0863 2.5E2 493.0958 1.8E2 497.0960 1.5E2 516.0979 2.5E2 557.1542 2.3E2 623.1397 1.3E2 645.1590 1.2E2 646.1346 1.1E2 647.1455 1.4E2 648.1318 2.4E2 665.1514 2.6E2 735.4274 2.5E2 761.9132 1.9E2 END IONS BEGIN IONS FEATURE_ID=9126 PEPMASS=703.3619 SCANS=9126 RTINSECONDS=1803.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 82.5843 1.1E2 135.0463 1.2E2 185.1487 2.1E2 201.0179 1.4E2 307.1841 1.6E2 308.1867 1.2E2 317.0292 1.1E2 327.0447 1.4E2 371.0997 2.2E2 397.0371 1.1E2 397.1202 1.4E2 477.2410 1.2E2 495.0106 2.6E2 505.3112 2.3E2 510.2356 2.2E2 536.1858 1.3E2 545.0925 1.0E2 573.3061 1.6E2 629.2222 1.2E2 637.3275 1.7E2 639.2969 2.7E2 659.3193 1.1E2 667.3848 4.8E3 667.6019 1.3E2 668.2222 1.9E2 668.3953 1.7E3 669.3851 1.2E2 669.4042 3.0E2 703.1357 1.5E2 703.3490 9.4E2 703.3663 1.1E3 704.3569 8.5E2 704.5353 1.0E2 705.3609 1.2E3 705.5031 1.5E2 705.9360 1.6E2 706.1389 1.3E2 706.2005 1.1E2 706.3438 1.2E2 706.3635 2.6E2 707.2598 1.8E2 707.3599 2.2E2 END IONS BEGIN IONS FEATURE_ID=9139 PEPMASS=639.2989 SCANS=9139 RTINSECONDS=1805.389 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0148 8.4E2 73.0319 2.0E2 83.0134 1.8E2 85.0354 1.7E2 89.0217 4.3E2 95.0088 1.1E2 99.0112 1.2E2 101.0246 4.8E2 113.0234 4.1E2 159.0261 1.9E2 161.0374 3.1E2 170.0838 1.8E2 293.0822 1.0E2 304.9213 1.1E2 315.1925 6.2E2 316.1986 1.1E2 327.1553 1.3E2 361.2620 1.1E2 477.2513 2.9E2 479.2609 2.0E2 489.2493 1.3E2 END IONS BEGIN IONS FEATURE_ID=9141 PEPMASS=675.2751 SCANS=9141 RTINSECONDS=1805.389 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0154 3.0E2 73.0292 1.3E2 89.0270 2.1E2 101.0232 1.8E2 113.0249 4.9E2 125.0196 1.8E2 161.0434 4.5E2 190.0852 1.1E2 315.1926 1.9E2 316.1877 1.5E2 317.2073 1.9E2 321.0218 1.1E2 461.1912 1.3E2 477.2457 3.3E2 554.1040 1.7E2 640.3182 1.1E2 END IONS BEGIN IONS FEATURE_ID=9146 PEPMASS=205.0494 SCANS=9146 RTINSECONDS=1805.617 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 18 (0 removed due to low quality, 17 removed due to low cosine). 105.0346 1.1E2 115.0082 1.2E2 132.0190 3.6E2 133.0287 6.4E2 161.0246 2.7E2 END IONS BEGIN IONS FEATURE_ID=9151 PEPMASS=517.0786 SCANS=9151 RTINSECONDS=1807.809 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 141.1069 1.1E2 197.0373 1.6E2 221.0361 1.5E2 260.9843 1.0E2 291.0308 2.3E2 293.0444 3.9E2 319.0291 4.6E2 325.0691 1.0E2 337.0294 2.1E3 337.1498 1.1E2 337.1999 1.2E2 338.0359 4.1E2 339.0500 2.2E2 340.0494 1.2E2 353.0517 1.9E2 428.1692 1.8E2 430.5539 1.3E2 472.9992 1.8E2 499.3279 1.2E2 517.0664 5.7E2 517.1389 3.0E2 518.0789 1.8E2 518.2216 1.5E2 518.3058 1.1E2 519.1330 1.9E2 519.3154 1.3E2 520.0832 1.7E2 678.2076 1.1E2 END IONS BEGIN IONS FEATURE_ID=9157 PEPMASS=761.1725 SCANS=9157 RTINSECONDS=1809.044 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 123.0499 1.5E2 185.0185 1.1E2 203.1361 1.2E2 244.0389 1.2E2 325.0678 1.9E2 327.1156 1.2E2 338.1838 1.2E2 349.1926 1.4E2 357.0842 1.4E2 365.0611 8.4E2 366.0695 2.1E2 370.0610 1.1E2 383.0701 4.9E2 384.0737 1.8E2 437.2381 1.3E2 499.4071 2.7E2 538.1260 1.2E2 548.1866 1.3E2 557.1794 2.4E2 557.3101 1.2E2 563.1148 1.9E3 563.3192 1.1E2 563.6883 1.1E2 564.1154 1.1E3 565.1240 5.0E2 565.2072 1.0E2 581.0468 1.5E2 582.1279 2.2E2 610.6557 1.2E2 677.2610 1.1E2 693.1938 1.0E2 719.1421 1.4E2 725.1045 2.1E2 761.0215 1.4E2 762.1332 1.2E2 763.1046 1.3E2 763.3959 1.0E2 764.2418 1.1E2 765.3052 2.0E2 765.3954 1.0E2 841.1229 1.1E2 END IONS BEGIN IONS FEATURE_ID=9171 PEPMASS=213.1116 SCANS=9171 RTINSECONDS=1813.081 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 169.1222 3.9E2 215.0163 1.1E2 317.4862 1.1E2 END IONS BEGIN IONS FEATURE_ID=9184 PEPMASS=651.1530 SCANS=9184 RTINSECONDS=1814.653 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 61.9902 1.6E2 68.5041 2.4E2 71.0158 2.7E2 76.0117 1.5E2 99.0467 1.3E2 101.0217 1.6E2 101.0285 2.1E2 107.2311 1.4E2 131.0308 1.8E2 135.0434 3.8E2 135.0490 1.4E2 137.0251 1.2E2 144.0649 1.5E2 145.0257 1.6E2 171.0971 1.5E2 175.0281 1.6E2 183.0850 1.3E2 186.0329 1.6E2 199.0922 2.0E2 199.1272 2.8E2 203.0545 1.3E2 233.1126 1.8E2 243.8747 1.1E2 249.0542 1.1E2 266.0543 4.8E2 266.2512 1.2E2 267.0954 1.0E2 269.0433 2.8E2 273.1512 1.4E2 282.0135 1.1E2 284.0313 1.6E2 295.0550 1.7E2 295.0615 1.6E2 299.0194 2.1E2 321.0340 1.2E2 323.0576 1.0E2 324.0073 1.7E2 325.0708 1.6E4 325.1589 2.5E2 325.1807 1.4E2 325.2033 5.0E2 325.2306 3.6E2 325.2401 2.5E2 325.2852 1.1E2 325.2924 2.2E2 325.4657 1.1E2 326.0668 6.0E2 326.0736 2.5E3 326.1881 1.2E2 327.0771 5.3E2 328.0688 1.2E2 328.0795 1.4E2 329.2214 1.9E2 330.4777 1.1E2 337.0264 1.2E2 339.0384 1.1E2 353.0266 1.7E2 366.0324 1.5E2 372.0438 1.2E2 377.0515 1.6E2 381.0127 1.5E2 392.8457 1.5E2 414.2212 2.3E2 431.1352 1.5E2 433.1728 1.1E2 456.1086 1.7E2 473.0788 3.0E2 474.0952 1.0E2 517.0786 1.1E2 544.5774 1.4E2 560.9593 1.2E2 565.0328 2.2E2 579.0891 1.3E2 590.4067 2.9E2 606.2224 1.3E2 617.6941 1.2E2 635.1995 1.1E2 650.4244 1.2E2 651.3291 1.5E2 652.1023 1.4E2 652.1794 2.0E2 652.2875 1.5E2 652.3285 1.4E2 653.1445 1.7E2 653.1601 1.1E2 653.3295 1.9E2 654.3456 3.4E2 655.0940 1.5E2 655.3851 1.2E2 752.0135 1.1E2 872.3942 1.1E2 END IONS BEGIN IONS FEATURE_ID=9187 PEPMASS=361.0477 SCANS=9187 RTINSECONDS=1815.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 12 (0 removed due to low quality, 8 removed due to low cosine). 79.0147 2.0E2 106.0654 1.8E2 120.9356 1.1E2 122.8320 1.2E2 127.1100 1.6E2 132.8779 1.2E2 145.0204 1.8E2 149.0196 1.2E2 184.1305 1.0E2 219.0352 1.1E2 219.0438 2.2E2 220.0510 1.5E2 220.0578 1.1E2 226.0495 1.2E2 235.0479 1.2E2 237.0455 1.6E2 237.0524 2.3E2 237.0627 1.6E2 247.0389 2.6E2 248.0378 1.2E2 248.0591 1.2E2 249.0441 1.7E2 249.0534 2.8E2 255.0695 2.1E2 265.0459 1.8E3 265.0506 7.5E2 266.0570 3.1E4 266.1841 2.9E2 266.2053 4.3E2 266.7135 1.1E2 266.8480 1.7E2 266.9390 1.2E2 267.0598 5.3E3 267.1275 1.5E2 267.2098 1.3E2 267.3146 1.2E2 267.4364 1.0E2 267.4913 1.3E2 268.0594 3.8E2 269.0702 1.2E2 325.0714 6.0E3 326.0724 1.5E3 326.0818 1.9E2 326.1294 1.3E2 326.2444 1.2E2 327.0615 1.6E2 439.0387 2.0E2 446.6697 1.1E2 858.9467 1.0E2 END IONS BEGIN IONS FEATURE_ID=9189 PEPMASS=325.0709 SCANS=9189 RTINSECONDS=1815.094 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 11 (0 removed due to low quality, 6 removed due to low cosine). 69.0400 1.0E2 72.9886 1.2E2 84.0154 2.2E2 89.4283 1.9E2 96.9588 1.6E2 119.0815 1.7E2 135.0457 1.2E2 150.9140 1.6E2 155.0993 1.3E2 209.0545 3.8E2 209.0592 1.7E2 219.0356 2.5E2 219.0464 1.1E2 221.0530 3.7E2 223.1508 1.4E2 224.0400 1.1E2 235.0396 1.5E2 236.0473 2.6E2 237.0432 4.3E2 237.0534 3.4E2 237.0935 1.0E2 238.0592 3.0E2 247.0381 2.5E2 248.0372 2.3E2 248.0438 9.2E2 249.0508 4.6E2 250.0506 2.8E2 251.0593 1.1E2 252.0613 2.4E2 264.0354 5.6E2 264.0424 2.5E2 265.0447 2.3E3 265.0507 1.4E3 265.1122 1.3E2 265.1231 1.2E2 266.0562 1.4E4 266.1689 2.5E2 266.2047 2.8E2 266.2412 1.2E2 267.0576 2.4E3 267.1784 1.2E2 268.0632 3.8E2 325.0717 5.4E3 326.0714 9.7E2 326.1995 1.2E2 327.2128 1.2E2 345.4833 1.6E2 564.1485 1.2E2 952.5140 1.2E2 988.6097 1.0E2 END IONS BEGIN IONS FEATURE_ID=9197 PEPMASS=323.0553 SCANS=9197 RTINSECONDS=1816.459 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 12 (0 removed due to low quality, 6 removed due to low cosine). 83.0493 1.2E2 95.0484 1.2E2 96.0186 1.7E2 111.0803 1.5E2 118.0445 1.6E2 119.9130 1.0E2 133.0264 2.0E2 135.0842 1.6E2 147.0330 1.1E2 149.0900 1.0E2 154.1299 1.3E2 157.0332 1.3E2 158.0295 1.2E2 159.0443 1.2E2 164.0619 2.6E2 165.0654 2.6E2 166.0485 1.4E2 167.0468 2.3E2 170.8753 1.1E2 176.1100 1.2E2 178.0352 1.6E2 179.0500 5.6E2 180.0529 2.8E2 180.0580 8.3E2 181.0704 1.2E2 189.0607 1.4E2 191.0502 6.2E2 192.0462 1.0E2 192.0532 1.9E2 193.0573 1.9E2 193.0618 2.0E2 194.0345 1.6E2 195.0447 2.4E2 195.0489 3.7E2 196.0488 5.3E2 196.0522 1.3E2 200.9814 1.4E2 206.9247 1.1E2 207.0390 5.1E2 207.0422 1.9E3 208.0500 2.8E3 208.0872 1.4E2 208.0973 1.5E2 209.0518 6.4E2 209.0602 1.3E3 210.0628 1.9E2 212.9388 1.4E2 218.0330 3.6E2 219.0441 1.6E3 219.0849 1.1E2 219.0928 1.1E2 220.0383 2.0E2 220.0478 1.6E3 220.0905 1.2E2 220.0950 1.1E2 221.0501 2.7E2 221.0580 3.9E2 221.1460 2.5E2 223.0394 1.8E2 223.0491 1.0E2 224.0468 1.8E2 224.0534 1.3E2 225.0510 1.8E2 225.1134 1.1E2 225.2565 1.0E2 226.9602 1.0E2 228.9647 1.1E2 234.0336 1.5E2 235.0313 1.1E2 235.0398 1.7E3 235.0493 4.6E2 236.0465 7.4E3 236.1202 3.0E2 236.1847 2.8E2 237.0538 3.8E3 238.0558 1.2E2 238.0658 1.1E2 239.0607 2.9E2 239.0767 1.6E2 240.0432 1.2E2 245.7390 1.2E2 246.4252 1.1E2 247.0365 2.7E2 247.0457 7.2E2 247.0903 1.1E2 248.0467 1.2E3 248.0523 2.6E2 249.0522 1.6E3 249.0567 5.7E2 251.0600 3.3E2 251.0878 1.5E2 251.8525 1.1E2 253.0253 2.5E2 253.0449 1.1E2 256.0685 1.1E2 261.0531 1.4E2 263.0296 5.7E2 263.0382 1.0E2 264.0418 4.4E3 264.0996 3.8E2 264.1889 1.2E2 264.3092 1.0E2 265.0502 1.1E4 265.0524 2.1E2 265.0795 1.5E2 265.1060 5.3E2 265.1317 2.1E2 265.1510 1.7E2 265.1940 2.6E2 265.2007 1.2E2 265.3877 1.1E2 265.4888 1.1E2 265.5889 1.2E2 265.6648 1.1E2 265.7682 1.1E2 265.8881 1.4E2 265.8955 1.6E2 266.0570 4.9E4 266.1331 3.3E2 266.1990 2.0E2 266.2075 1.2E2 266.2829 1.1E2 266.5156 1.3E2 266.6698 2.3E2 266.6801 1.2E2 266.7392 1.1E2 266.8414 1.5E2 266.9880 1.2E2 267.0621 7.6E3 267.1562 1.4E2 267.2595 2.1E2 268.0602 2.6E2 268.0668 2.8E2 278.0444 2.7E2 279.0618 3.0E2 291.0179 1.6E2 291.0240 1.9E2 292.2363 1.1E2 293.0464 1.0E2 293.0995 1.3E2 295.0607 7.3E3 295.2106 1.0E2 296.0623 2.6E3 304.0413 1.5E2 306.0436 1.8E2 322.0429 1.4E2 323.0543 3.1E3 323.1556 1.3E2 323.1731 1.2E2 323.2222 1.3E2 324.0612 1.6E3 324.1591 1.2E2 325.0498 1.6E2 325.0625 3.3E2 325.0708 3.7E4 325.0879 2.4E2 325.8958 1.6E2 326.0731 5.7E3 326.1818 2.7E2 326.2017 1.3E2 326.2385 1.5E2 326.2490 1.3E2 326.3538 1.3E2 326.4493 1.7E2 326.5010 1.8E2 326.7057 1.0E2 326.9160 1.4E2 327.0715 5.7E2 327.1668 1.2E2 327.1877 1.3E2 896.7207 1.1E2 END IONS BEGIN IONS FEATURE_ID=9198 PEPMASS=491.2838 SCANS=9198 RTINSECONDS=1817.765 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 85.0314 1.1E2 89.0193 1.4E2 101.0268 2.3E2 112.9041 1.5E2 117.5180 1.2E2 127.1136 2.3E2 139.1106 1.8E2 140.1187 1.5E2 161.0203 1.1E2 167.1024 1.1E2 167.1410 1.5E2 171.1025 2.2E2 181.1241 1.1E2 183.1357 2.1E2 211.1352 7.7E2 211.1897 1.2E2 229.1478 7.2E2 230.1446 2.4E2 250.1045 1.0E2 285.1836 1.1E2 311.0532 1.7E2 311.2025 1.2E2 313.2290 1.7E2 329.2357 1.3E2 330.2286 1.1E2 331.2532 2.0E2 492.2764 1.7E2 END IONS BEGIN IONS FEATURE_ID=9215 PEPMASS=291.1227 SCANS=9215 RTINSECONDS=1822.881 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9950 2.0E2 84.0432 2.4E2 89.0263 1.8E2 120.9330 1.1E2 129.0306 1.4E2 146.0359 3.9E2 148.0550 1.2E2 164.9171 1.7E2 169.0897 1.9E2 202.1275 1.3E2 206.0796 1.2E2 214.9780 1.1E2 245.1223 1.3E2 273.1095 1.1E3 291.1234 4.5E2 292.1291 3.5E2 528.9462 1.0E2 END IONS BEGIN IONS FEATURE_ID=9217 PEPMASS=935.2039 SCANS=9217 RTINSECONDS=1822.881 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0467 1.5E2 233.0896 1.5E2 279.0653 1.1E2 311.0588 2.3E2 323.0503 7.5E2 458.1703 1.0E2 491.0980 1.6E3 491.2310 1.0E2 492.0320 1.6E2 492.0938 3.5E2 503.0887 2.0E3 504.1097 4.9E2 514.0590 1.5E2 551.3718 1.0E2 623.5313 1.1E2 755.2424 1.8E2 757.2430 1.4E2 760.2251 1.3E2 858.0048 1.3E2 866.6410 1.1E2 876.9593 1.1E2 898.4903 1.0E2 899.1605 1.7E2 899.3013 1.9E2 902.3808 1.7E2 935.1948 1.4E3 935.3449 3.3E2 935.4447 1.9E2 935.5274 1.3E2 936.2024 1.1E3 936.3900 1.5E2 936.8489 1.4E2 937.1929 4.5E2 937.4568 2.6E2 937.6906 1.4E2 937.8838 1.3E2 938.1926 2.0E2 END IONS BEGIN IONS FEATURE_ID=9227 PEPMASS=541.3115 SCANS=9227 RTINSECONDS=1823.191 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 64.8200 1.5E2 294.1029 1.1E2 297.1400 1.2E2 389.1533 1.2E2 437.1606 1.1E2 END IONS BEGIN IONS FEATURE_ID=9228 PEPMASS=437.2285 SCANS=9228 RTINSECONDS=1825.658 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 85.0691 1.1E2 97.0678 1.3E2 127.0409 1.1E2 166.5183 1.3E2 202.1023 1.8E2 243.1188 1.5E2 247.0145 1.1E2 247.1351 1.7E2 275.0616 1.9E2 289.0680 1.4E2 289.1707 1.4E2 292.9856 1.1E2 301.5530 1.0E2 316.0846 1.1E2 327.2075 1.9E2 380.1190 1.3E2 437.2194 1.6E2 441.1088 2.3E2 END IONS BEGIN IONS FEATURE_ID=9236 PEPMASS=325.2005 SCANS=9236 RTINSECONDS=1825.658 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0332 3.1E2 86.0366 2.1E2 87.0517 2.3E2 95.0439 1.1E2 97.0675 1.9E2 117.0330 3.4E2 121.1037 2.4E2 129.0862 1.4E2 135.0370 2.9E2 136.0481 1.2E2 145.0235 3.2E2 146.0326 1.0E2 149.1277 1.5E2 163.0349 1.7E2 171.0987 3.8E2 183.0965 1.1E2 221.1526 3.1E2 266.0559 1.8E2 267.0584 3.2E2 END IONS BEGIN IONS FEATURE_ID=9242 PEPMASS=287.1484 SCANS=9242 RTINSECONDS=1828.446 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.9979 1.6E2 83.0520 1.8E2 113.3354 1.3E2 127.0727 1.3E2 186.0284 1.6E2 212.0896 1.5E2 677.4967 1.0E2 991.6346 1.4E2 END IONS BEGIN IONS FEATURE_ID=9251 PEPMASS=489.2680 SCANS=9251 RTINSECONDS=1831.281 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0150 1.4E2 73.0313 1.4E2 87.0451 1.9E2 95.0586 1.3E2 99.0430 1.1E2 113.0271 3.0E2 119.0375 1.5E2 124.0197 1.7E2 135.0422 1.1E2 139.1082 1.2E2 157.1048 1.6E2 162.0366 1.3E2 171.1008 3.7E2 195.1366 2.3E2 195.1826 1.1E2 203.1059 1.1E2 209.1386 2.0E2 211.1319 2.4E2 223.1594 2.4E2 229.1425 3.8E2 239.1581 1.8E2 240.1731 1.1E2 293.1989 1.5E2 307.0900 1.3E2 309.2034 2.3E2 311.0493 1.3E2 327.0884 1.4E2 327.2051 1.7E2 328.2208 1.6E2 330.2334 2.8E2 387.1050 1.3E2 491.2900 1.2E2 END IONS BEGIN IONS FEATURE_ID=9256 PEPMASS=385.0920 SCANS=9256 RTINSECONDS=1831.119 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.9856 1.9E2 74.0284 2.6E2 101.0698 1.3E2 109.0263 5.0E2 119.0488 1.5E2 157.0277 1.1E2 161.0294 1.1E2 165.9112 1.2E2 171.0339 1.1E2 173.0184 2.8E2 193.0423 1.3E2 197.0510 2.0E2 204.1520 1.0E2 213.0526 1.5E2 225.0993 1.0E2 234.0486 1.2E2 237.0580 2.9E2 238.0580 1.2E2 249.0488 1.8E2 251.0607 2.2E2 252.0428 2.6E2 253.0406 1.5E2 266.0644 2.2E2 267.0621 3.7E2 276.0597 1.8E2 279.0265 2.5E2 291.9099 1.1E2 293.0431 8.0E2 293.1165 1.1E2 294.0547 2.6E2 END IONS BEGIN IONS FEATURE_ID=9257 PEPMASS=421.0687 SCANS=9257 RTINSECONDS=1831.119 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 112.0023 1.2E2 128.8701 1.6E2 137.0264 1.5E2 145.6558 1.5E2 157.0209 1.2E2 161.0065 1.4E2 168.0854 2.1E2 177.0463 2.1E2 183.0010 2.0E2 185.0218 2.2E2 190.1207 1.5E2 199.0563 1.2E2 202.0243 1.0E2 207.0350 1.2E2 221.0537 2.2E2 228.0363 1.9E2 231.0501 1.3E2 235.0713 1.6E2 238.0548 1.2E2 249.0511 4.1E2 250.0638 2.0E2 251.0298 1.8E2 260.0392 1.5E2 263.0318 1.5E2 265.0460 2.7E2 265.9671 1.2E2 266.0519 2.5E2 276.0420 3.6E2 277.0476 4.9E2 292.0321 1.3E2 293.0418 1.9E3 293.1405 1.7E2 294.0450 3.6E2 295.0476 1.1E2 308.0607 1.4E2 310.0635 1.2E2 353.0656 2.9E2 423.2958 1.0E2 426.0656 1.3E2 END IONS BEGIN IONS FEATURE_ID=9268 PEPMASS=695.2165 SCANS=9268 RTINSECONDS=1833.559 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 121.0594 1.6E2 135.0464 1.1E2 149.0124 1.1E2 263.0722 1.0E2 293.0480 1.0E2 354.0672 1.8E2 355.0801 2.9E2 359.1818 1.0E2 369.1091 1.9E2 387.0959 1.2E2 445.0753 1.1E2 487.3107 1.4E2 515.0587 1.2E2 517.0747 1.1E2 529.2490 1.4E2 535.1203 1.1E2 663.1854 2.1E3 663.4081 1.2E2 664.1934 9.6E2 664.3881 1.1E2 665.1927 1.1E2 673.2803 2.5E2 677.2089 1.7E2 678.2078 1.0E2 695.2170 2.0E3 695.4379 1.1E2 696.2226 6.5E2 696.9604 1.1E2 697.2202 2.0E2 699.2100 1.5E2 END IONS BEGIN IONS FEATURE_ID=9275 PEPMASS=543.3255 SCANS=9275 RTINSECONDS=1834.35 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 65.7734 1.2E2 116.6108 1.3E2 125.0567 1.2E2 150.0514 1.0E2 159.0559 1.9E2 201.0629 1.2E2 231.1040 1.3E2 237.1535 1.2E2 271.0710 1.1E2 294.0545 1.1E2 367.2416 1.2E2 961.0785 1.2E2 END IONS BEGIN IONS FEATURE_ID=9276 PEPMASS=701.1493 SCANS=9276 RTINSECONDS=1834.479 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 9 (0 removed due to low quality, 8 removed due to low cosine). 109.0270 2.5E2 123.0797 1.5E2 135.0417 5.5E2 145.0279 4.3E2 147.0141 1.2E2 185.0204 3.3E2 186.0314 1.1E2 194.0540 1.1E2 197.0295 1.0E2 198.2556 1.5E2 210.1152 1.2E2 243.0280 2.1E2 251.0301 1.8E2 277.0442 4.7E2 279.0333 1.0E2 291.1184 1.2E2 294.0545 1.1E2 295.0557 2.9E2 296.0767 1.8E2 305.0595 2.3E2 307.0764 1.1E2 309.0623 1.2E2 321.0449 1.5E3 321.1087 2.0E2 322.0409 4.6E2 322.1069 1.2E2 323.0429 2.9E2 328.0963 1.2E2 338.2365 1.1E2 339.0437 1.2E3 340.0433 4.3E2 401.0635 1.4E2 425.1120 2.4E2 521.0362 1.1E2 547.0748 1.4E2 END IONS BEGIN IONS FEATURE_ID=9282 PEPMASS=673.3516 SCANS=9282 RTINSECONDS=1836.131 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0122 1.9E2 160.8455 2.2E2 193.0466 2.2E2 356.1709 1.3E2 374.0614 1.2E2 419.4839 1.2E2 451.1980 1.0E2 454.9750 1.0E2 480.2731 1.0E2 489.1752 1.1E2 494.2232 1.7E2 505.3290 3.4E2 515.1106 1.3E2 519.5964 1.4E2 561.0622 1.1E2 566.2517 1.9E2 588.3332 1.6E2 605.2712 1.2E2 637.3850 1.8E2 639.3834 1.1E2 641.3873 1.2E2 672.9818 1.1E2 673.3544 1.5E3 673.5082 1.2E2 673.5554 1.1E2 674.3575 4.8E2 675.2445 1.7E2 675.3616 1.2E3 676.2062 1.3E2 676.3518 6.4E2 676.4185 2.9E2 676.5468 1.4E2 677.1777 2.7E2 677.4247 1.2E2 753.5794 1.4E2 786.9179 1.0E2 908.2180 1.6E2 END IONS BEGIN IONS FEATURE_ID=9287 PEPMASS=577.2202 SCANS=9287 RTINSECONDS=1837.821 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 96.9558 1.5E2 107.0529 1.1E2 133.0239 5.9E2 134.0292 1.0E2 209.0873 1.3E2 233.0937 2.0E2 248.0976 1.2E2 249.1109 1.6E2 274.0050 1.2E2 309.0270 2.3E2 347.0075 1.6E2 355.0405 1.1E2 367.1268 2.0E3 367.3786 1.1E2 368.1297 8.5E2 369.1415 4.8E2 369.2007 1.3E2 384.1558 1.2E2 399.0375 2.0E2 434.3020 1.2E2 462.2035 1.9E2 479.0939 1.0E2 481.2009 1.3E2 531.0673 3.4E2 544.2217 2.0E2 558.9586 1.1E2 577.2493 2.3E2 579.1596 1.3E2 581.0149 2.5E2 581.2296 1.2E2 581.3322 1.4E2 656.1144 1.0E2 END IONS BEGIN IONS FEATURE_ID=9292 PEPMASS=357.2268 SCANS=9292 RTINSECONDS=1839.186 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0503 1.8E2 102.0523 1.0E2 121.0624 1.5E2 130.9699 1.1E2 175.0333 1.4E2 177.2231 1.0E2 181.1264 1.0E2 183.1011 1.9E2 186.1223 1.0E2 197.0454 1.4E2 201.1104 3.5E2 209.1525 2.0E2 210.1398 1.3E2 215.1593 1.0E2 229.1607 1.3E2 229.9419 1.4E2 237.1492 8.8E2 237.1959 2.0E2 249.1584 2.2E2 251.1695 1.4E2 253.3524 1.1E2 254.0792 1.8E2 263.1380 1.1E2 269.1713 5.8E2 270.1770 3.3E2 271.1653 1.3E2 299.1928 2.6E2 300.1859 2.0E2 357.2234 3.7E2 358.2280 1.7E2 359.1529 2.1E2 719.7661 1.3E2 END IONS BEGIN IONS FEATURE_ID=9297 PEPMASS=731.1596 SCANS=9297 RTINSECONDS=1840.354 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 108.0252 1.7E2 111.0767 1.1E2 122.0323 2.0E2 126.0291 1.1E2 133.0288 2.7E2 135.0436 2.2E2 136.0468 1.3E2 151.0402 1.3E2 165.0475 1.3E2 173.0684 1.9E2 175.0768 1.2E2 183.0312 1.2E2 185.0215 7.3E2 187.0377 1.4E2 229.0124 1.5E2 236.0867 1.5E2 264.0615 1.5E2 266.0472 1.3E2 269.0954 1.4E2 281.0427 1.0E2 289.0244 1.0E2 294.0515 2.8E2 295.0537 2.0E2 305.0278 1.7E2 309.0787 3.1E2 320.0267 3.5E2 321.0247 2.6E2 335.0531 1.2E3 336.0608 1.1E2 339.0334 1.2E2 347.1385 1.0E2 353.0733 4.2E2 354.0583 1.6E2 902.8173 1.2E2 END IONS BEGIN IONS FEATURE_ID=9313 PEPMASS=688.3677 SCANS=9313 RTINSECONDS=1844.446 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 66.0336 1.9E2 99.0067 2.0E2 100.0392 2.8E2 112.0410 1.8E2 116.0306 2.0E2 130.0502 2.2E2 141.0499 1.2E2 164.7115 1.2E2 182.0836 3.1E2 185.0216 1.2E2 195.0770 1.0E2 202.1068 1.5E2 204.1115 1.0E2 212.0888 1.3E2 230.1056 6.6E2 231.0942 1.3E2 244.1138 1.3E2 262.1270 1.8E3 262.2121 1.2E2 263.1270 3.6E2 263.1631 1.1E2 264.1313 2.6E2 300.2465 1.7E2 308.2528 1.6E2 327.2047 1.3E2 361.1896 1.4E2 379.0705 1.2E2 402.0989 1.3E2 436.9810 1.3E2 469.1268 1.2E2 472.0479 1.9E2 482.3055 1.2E2 587.1894 1.1E2 653.3784 1.1E2 655.0099 1.2E2 END IONS BEGIN IONS FEATURE_ID=9325 PEPMASS=507.0921 SCANS=9325 RTINSECONDS=1846.168 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 77.1550 1.7E2 89.0226 1.9E2 101.0281 1.2E2 166.1285 1.9E2 171.0994 1.3E2 191.0300 1.1E2 191.0876 1.1E2 197.0404 1.9E2 198.0647 1.7E2 211.0379 2.2E2 243.0672 2.0E2 253.0493 1.3E3 253.1298 1.3E2 254.0404 1.0E2 255.0572 1.1E2 265.0459 3.0E2 281.0487 5.7E2 282.0621 1.8E2 283.0622 9.7E2 283.1433 1.1E2 284.0578 4.7E2 294.0582 1.8E2 309.0409 1.3E3 310.0381 3.7E2 312.0478 1.2E2 327.0493 6.1E2 507.3157 1.2E2 END IONS BEGIN IONS FEATURE_ID=9338 PEPMASS=505.0782 SCANS=9338 RTINSECONDS=1845.546 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0127 1.9E2 72.9915 1.6E2 95.0141 1.2E2 101.0238 1.4E2 109.0668 1.2E2 122.0352 1.0E2 123.0482 1.3E2 135.0454 1.2E3 174.0244 1.2E2 179.0353 1.0E2 181.0680 1.5E2 197.0379 1.6E2 197.4465 1.1E2 209.0606 1.8E2 210.0564 1.4E2 214.0514 1.9E2 223.0388 3.0E2 224.0427 3.1E2 225.0528 4.7E2 226.0347 1.2E2 227.0656 2.5E2 235.0423 4.2E2 237.0673 1.7E2 251.0380 7.4E2 252.0372 1.4E2 253.0492 1.1E4 253.7617 2.1E2 253.8614 1.3E2 254.0531 2.2E3 254.2054 1.3E2 255.0672 6.4E2 255.2306 1.2E2 256.0684 3.4E2 263.0390 2.0E2 264.0431 3.9E2 264.0908 1.3E2 265.0514 1.1E3 266.0563 1.7E2 267.0657 1.2E2 279.0265 1.8E3 280.0314 3.8E2 280.1374 1.0E2 281.0438 7.1E3 282.0508 2.2E3 282.3017 1.0E2 283.0600 9.6E3 284.0599 2.2E3 284.1443 2.0E2 284.2296 1.2E2 307.0212 8.1E2 307.0918 1.3E2 308.0305 2.6E2 309.0387 1.9E4 310.0400 3.3E3 310.1820 1.9E2 311.0433 2.2E2 311.2657 1.4E2 325.0390 3.5E2 327.0495 5.2E3 327.2372 2.8E2 328.0544 6.3E2 507.3052 1.8E2 737.2306 1.1E2 END IONS BEGIN IONS FEATURE_ID=9349 PEPMASS=503.0958 SCANS=9349 RTINSECONDS=1848.522 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (2 removed due to low quality, 5 removed due to low cosine). 72.9948 3.5E2 107.0501 2.2E2 123.0444 2.6E2 135.0447 2.5E3 135.0951 2.0E2 135.1442 2.1E2 136.0497 1.7E2 147.0354 1.4E2 174.0644 1.2E2 195.0499 2.5E2 197.0526 2.2E2 205.0129 1.6E2 207.0435 2.2E2 210.0565 1.5E2 213.0535 1.2E2 223.0347 6.1E2 224.0458 3.7E2 234.0386 3.0E2 235.0436 3.7E2 251.0347 9.1E2 251.1166 1.0E2 252.0404 4.3E2 253.0523 2.4E3 253.1283 2.1E2 253.1940 1.4E2 254.0509 1.4E2 255.0580 3.2E2 263.0346 1.1E3 263.1249 1.0E2 264.0362 3.7E2 265.0516 3.2E2 279.0361 1.4E3 280.0471 3.8E2 280.2982 1.0E2 281.0461 2.4E3 281.1871 1.4E2 281.7721 1.2E2 282.0532 1.5E2 282.1400 1.2E2 283.0601 2.3E3 283.1940 1.8E2 283.3868 1.1E2 283.6280 1.7E2 295.0317 1.3E2 297.0483 3.3E2 305.0457 1.5E2 305.8580 1.4E2 306.0460 2.7E2 306.9234 1.0E2 307.0263 1.6E3 307.1811 1.3E2 308.0300 9.0E2 308.0934 1.4E2 309.0388 5.4E3 310.0441 2.1E2 310.3523 1.9E2 323.0582 5.7E2 324.0563 2.2E2 325.0306 4.1E2 327.0483 1.5E3 356.1321 1.2E2 400.1616 2.6E2 END IONS BEGIN IONS FEATURE_ID=9353 PEPMASS=693.1668 SCANS=9353 RTINSECONDS=1849.209 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0243 2.4E2 90.0281 1.1E2 111.0037 2.6E2 186.1125 1.8E2 284.0332 2.0E2 285.0344 1.0E3 286.0364 2.1E2 288.8014 1.7E2 351.0567 1.5E2 354.0709 2.5E2 355.0744 4.7E2 367.1218 1.0E2 387.1156 1.1E2 393.5120 1.2E2 465.3100 2.1E2 471.0873 1.8E2 633.1460 1.2E2 634.1467 1.2E2 651.1494 3.0E2 651.2461 1.1E2 655.2474 1.2E2 663.1947 1.5E3 664.1922 4.6E2 677.2073 1.1E2 693.1649 1.8E3 693.3110 2.1E2 693.3954 1.8E2 694.1638 7.9E2 695.2121 1.9E3 695.3869 4.1E2 696.2175 4.5E2 END IONS BEGIN IONS FEATURE_ID=9354 PEPMASS=215.1275 SCANS=9354 RTINSECONDS=1849.538 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 125.9718 1.2E2 153.1272 7.6E2 154.1273 1.2E2 197.1191 8.9E2 198.1266 1.4E2 257.5068 1.5E2 485.2451 1.1E2 END IONS BEGIN IONS FEATURE_ID=9367 PEPMASS=695.2160 SCANS=9367 RTINSECONDS=1851.648 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 153.0519 2.0E2 191.0512 1.3E2 205.0556 1.4E2 229.0936 1.1E2 233.0588 1.4E2 237.0446 1.1E2 247.0900 1.3E2 271.0213 1.9E2 285.0321 1.0E2 286.0375 1.4E2 311.0096 1.8E2 326.0524 1.5E2 337.0715 1.8E2 354.0732 2.2E3 354.2218 1.0E2 355.0829 1.7E3 355.2470 1.2E2 356.0793 7.2E2 359.0783 1.7E2 459.0753 1.5E2 475.1387 1.2E2 478.1932 1.4E2 663.1958 6.2E2 664.1974 4.5E2 667.3839 1.4E2 END IONS BEGIN IONS FEATURE_ID=9418 PEPMASS=395.2026 SCANS=9418 RTINSECONDS=1862.536 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 11 (0 removed due to low quality, 10 removed due to low cosine). 93.0415 1.0E2 97.0669 1.1E2 130.0886 1.6E2 149.0917 1.8E2 155.1079 1.5E2 163.1081 2.1E2 165.1298 1.6E2 171.1039 1.5E2 177.1309 1.8E2 207.0967 2.7E2 211.1296 5.0E2 211.1741 1.1E2 212.1332 1.1E2 221.1114 1.0E2 231.0785 1.1E2 233.1138 1.2E2 261.0959 1.9E2 END IONS BEGIN IONS FEATURE_ID=9419 PEPMASS=327.2157 SCANS=9419 RTINSECONDS=1861.787 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 69.0349 2.3E2 97.0244 1.9E2 97.0634 2.6E2 161.0360 1.4E2 165.0905 1.5E2 171.1011 1.6E2 185.1222 1.4E2 212.1066 1.6E2 END IONS BEGIN IONS FEATURE_ID=9420 PEPMASS=363.1919 SCANS=9420 RTINSECONDS=1861.376 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (0 removed due to low quality, 9 removed due to low cosine). 80.9137 1.0E2 85.0305 2.0E2 110.0379 1.3E2 126.0990 1.0E2 137.0942 4.0E2 171.0987 7.5E2 179.0066 2.5E2 188.8686 2.0E2 201.0224 1.1E2 211.1257 2.2E2 239.1461 1.2E2 261.0388 1.5E2 END IONS BEGIN IONS FEATURE_ID=9423 PEPMASS=385.1740 SCANS=9423 RTINSECONDS=1862.536 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 73.0339 2.2E2 85.0293 3.4E2 123.0337 1.4E2 153.1238 1.5E2 171.1021 1.6E2 183.1381 2.4E2 193.1165 1.9E2 202.1129 1.2E2 211.1342 1.6E2 213.1022 1.7E2 227.0714 1.7E2 229.1406 2.6E2 233.1183 2.8E2 247.1988 1.1E2 642.3752 1.6E2 END IONS BEGIN IONS FEATURE_ID=9450 PEPMASS=439.2445 SCANS=9450 RTINSECONDS=1865.172 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.9542 2.9E2 81.9532 1.4E2 97.9816 1.2E2 115.0459 1.2E2 127.0403 1.4E2 135.0434 1.3E2 137.1004 2.0E2 164.0467 1.8E2 228.0664 1.3E2 232.8979 1.3E2 249.1862 1.2E2 282.0558 2.2E2 350.0938 1.4E2 561.3270 1.3E2 END IONS BEGIN IONS FEATURE_ID=9451 PEPMASS=505.1116 SCANS=9451 RTINSECONDS=1867.611 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9936 3.0E2 101.0226 1.6E2 108.0193 1.1E2 123.0399 2.9E2 134.0324 2.4E2 135.0427 1.0E3 147.0053 1.9E2 149.0216 1.1E2 167.0326 1.0E2 219.0173 2.3E2 237.0492 1.0E2 253.0408 4.4E2 253.0980 1.0E2 265.0487 4.1E2 266.0722 2.9E2 267.0563 2.7E2 280.0656 1.6E2 281.0677 5.1E2 283.0611 2.3E2 309.0376 5.3E2 310.0460 1.8E3 310.1366 1.9E2 311.0347 1.4E2 325.0685 1.0E3 326.0716 1.0E2 327.0494 2.2E2 385.1164 1.9E2 END IONS BEGIN IONS FEATURE_ID=9452 PEPMASS=809.3005 SCANS=9452 RTINSECONDS=1867.611 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 5 (0 removed due to low quality, 3 removed due to low cosine). 96.9655 1.3E2 101.0208 1.9E2 102.9557 2.6E2 114.0505 1.1E2 122.0338 3.6E2 122.0680 2.1E2 122.3662 1.4E2 134.0365 2.0E2 136.0217 1.2E2 137.0221 1.5E2 141.9641 1.0E2 145.0630 1.1E2 149.0603 2.7E2 150.0309 1.6E3 151.0366 2.6E2 151.0433 4.5E2 151.1031 1.5E2 152.0505 2.1E2 163.0320 1.5E2 165.0552 5.0E3 165.1226 1.6E2 165.1306 1.1E2 165.1690 2.1E2 166.0563 9.9E2 166.1001 1.7E2 167.0346 1.6E2 167.0502 1.4E2 179.0703 6.4E2 180.0430 3.4E2 181.0548 1.2E2 182.0630 2.0E2 190.0606 1.6E2 195.0663 1.9E3 196.0710 2.8E2 209.9995 1.1E2 217.0853 2.0E2 255.1197 2.5E2 309.0356 1.3E2 315.0816 1.9E2 325.0677 2.4E2 327.0543 1.3E2 330.1055 1.4E2 355.1076 1.4E2 367.1273 1.4E2 384.1205 1.3E2 385.1236 1.1E2 387.1479 4.0E2 404.1357 1.8E2 405.1573 1.2E2 417.1515 3.0E2 417.1778 1.2E2 474.1318 1.3E2 481.0841 1.4E2 507.1633 1.1E2 535.1600 1.7E2 536.1979 1.5E2 541.1373 1.4E2 547.2074 1.7E2 551.1730 1.6E2 551.1918 1.3E2 564.1773 1.4E2 565.2066 1.5E3 565.2915 1.8E2 566.1997 1.8E2 567.9830 1.2E2 597.2017 1.3E2 683.2104 1.1E2 713.2562 3.7E2 714.2554 1.3E2 715.2551 1.1E2 726.2432 1.6E2 744.2763 1.1E2 910.1094 1.3E2 END IONS BEGIN IONS FEATURE_ID=9456 PEPMASS=810.3047 SCANS=9456 RTINSECONDS=1867.611 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 104.0229 1.0E2 150.0586 1.5E2 151.0389 5.5E2 165.0546 3.9E2 166.0602 1.5E2 195.0621 6.6E2 218.0732 1.1E2 228.1618 1.6E2 404.1393 1.1E2 417.1505 2.0E2 493.1050 1.2E2 565.2043 2.1E2 566.2293 4.5E2 567.2177 3.2E2 567.2754 1.5E2 581.1623 1.3E2 585.2043 1.2E2 614.2278 1.5E2 714.2703 1.8E2 744.2625 2.6E2 762.2703 2.1E2 774.2935 1.6E2 775.2300 1.4E2 792.2863 2.6E2 810.3010 8.9E2 810.5152 1.4E2 811.2939 5.5E2 811.4418 1.3E2 812.2689 1.9E2 813.4820 1.4E2 814.3459 1.1E2 END IONS BEGIN IONS FEATURE_ID=9457 PEPMASS=541.0909 SCANS=9457 RTINSECONDS=1867.611 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9928 1.3E2 101.0248 1.2E2 123.0442 1.3E2 135.0432 1.8E3 135.1332 1.4E2 166.3479 1.5E2 179.0295 3.5E2 185.0097 1.1E2 188.9950 1.3E2 197.0417 2.0E2 238.0623 1.3E2 265.0424 1.2E2 266.0532 2.5E2 266.0897 1.0E2 267.0595 1.8E2 278.1690 1.1E2 281.0746 5.1E2 282.0855 1.3E2 309.0420 1.4E2 310.0488 6.2E2 310.1182 1.2E2 311.0537 1.2E2 312.0514 1.1E2 325.0695 2.7E3 326.0743 4.8E2 327.0870 1.3E2 535.6812 1.3E2 END IONS BEGIN IONS FEATURE_ID=9463 PEPMASS=677.2049 SCANS=9463 RTINSECONDS=1868.378 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0110 1.1E2 99.0424 1.0E2 204.0832 1.5E2 219.0616 1.1E2 233.1182 2.2E2 251.1342 1.2E2 275.0766 1.5E2 283.0247 1.1E2 297.0346 1.1E2 313.0793 1.9E2 327.2185 1.7E2 349.1949 1.2E2 350.1999 1.3E2 368.0826 6.7E2 369.0957 3.3E2 370.0938 1.5E2 395.0705 1.3E2 479.2615 2.5E2 507.0734 1.1E2 577.3810 1.1E2 663.1203 1.3E2 677.2013 2.3E3 677.3829 2.6E2 678.0336 1.3E2 678.2078 6.9E2 678.4200 2.4E2 679.2698 3.4E2 680.4160 1.7E2 END IONS BEGIN IONS FEATURE_ID=9480 PEPMASS=521.3277 SCANS=9480 RTINSECONDS=1869.993 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0156 5.1E2 71.0410 1.2E2 73.0296 1.1E2 82.0689 1.4E2 101.0248 2.1E2 101.0579 1.1E2 105.0320 1.1E2 113.0257 2.9E2 130.9609 1.7E2 137.1023 1.5E2 141.0917 2.2E2 155.3454 1.1E2 158.3886 1.7E2 183.1047 1.1E2 210.1085 1.2E2 215.4742 1.4E2 268.0361 1.1E2 281.4869 2.6E2 282.0562 2.8E2 303.1366 1.6E2 313.0751 1.0E2 320.0327 1.7E2 323.0229 1.1E2 334.2014 1.1E2 341.2687 2.3E2 343.2874 2.2E2 358.0333 2.1E2 358.2523 1.0E2 359.2787 3.0E2 521.3268 6.4E2 521.5422 1.4E2 522.3354 1.2E2 557.4167 1.3E2 753.2974 1.8E2 END IONS BEGIN IONS FEATURE_ID=9485 PEPMASS=283.1074 SCANS=9485 RTINSECONDS=1871.038 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 77.0411 1.8E2 95.0711 1.0E2 106.0409 2.2E2 107.0125 2.2E2 112.9036 2.0E2 160.0369 1.5E2 182.0856 1.6E2 194.0450 3.9E2 197.0983 1.9E2 199.0435 1.2E2 209.0634 1.5E2 210.0540 1.4E2 238.0317 3.9E2 252.0507 1.5E2 253.0584 3.1E2 253.0953 1.2E2 254.0525 1.2E2 END IONS BEGIN IONS FEATURE_ID=9510 PEPMASS=325.1994 SCANS=9510 RTINSECONDS=1876.068 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 67.0575 1.0E2 67.4144 1.3E2 69.0333 4.5E2 71.0150 3.3E2 71.0523 1.4E2 85.0305 5.6E3 85.1142 3.6E2 85.1441 1.4E2 85.3161 1.0E2 86.0331 1.3E2 86.5247 1.3E2 87.0452 1.8E2 87.0782 2.1E2 97.0290 3.2E2 97.0660 2.7E3 97.1569 1.4E2 98.0694 1.9E2 99.0501 1.5E2 101.0604 1.7E2 110.0331 1.7E2 111.0799 1.4E2 115.0752 5.7E2 119.0841 2.5E2 121.0639 1.9E2 123.0801 2.2E2 124.0924 1.3E2 125.0737 4.6E2 127.1144 4.5E2 137.0969 6.2E2 137.1286 1.3E2 138.0954 2.1E2 147.1114 2.2E2 151.1095 1.9E2 155.1144 5.0E2 155.1914 1.1E2 164.0743 1.1E2 166.0872 1.3E2 167.1415 6.2E2 169.0929 1.6E2 171.1003 9.2E3 171.2195 2.6E2 172.1052 5.6E2 172.2908 1.2E2 173.1067 1.7E2 176.6647 2.2E2 177.0205 1.8E2 177.1266 1.8E2 178.1276 1.4E2 183.1372 7.4E3 184.1469 4.2E2 185.0216 1.0E2 185.1202 5.6E2 186.1190 1.3E2 190.1625 1.9E2 191.1001 1.6E2 191.1437 1.1E2 193.1252 2.2E2 193.1704 1.1E2 195.1344 1.6E2 197.1109 1.3E2 199.1260 1.4E2 201.1141 4.1E2 202.1117 1.8E2 203.1093 2.2E2 205.4843 1.0E2 205.8683 1.1E2 208.1471 1.1E2 209.1166 5.3E2 209.2756 1.2E2 210.1252 1.1E2 211.1298 8.7E3 211.5997 1.1E2 212.1369 7.5E2 213.1108 1.6E2 214.0614 1.1E2 215.1262 1.0E2 221.1182 1.2E3 221.2081 1.5E2 222.1325 1.2E2 223.1726 1.6E2 225.1127 1.1E2 225.1444 1.2E2 227.4728 1.1E2 229.1406 4.9E3 229.2400 2.4E2 229.2820 2.3E2 229.3247 1.4E2 229.8588 1.2E2 230.1501 5.1E2 233.1466 1.1E2 235.1274 1.9E2 236.1356 1.6E2 237.1509 3.0E2 238.1544 2.8E2 238.9137 1.1E2 239.1483 6.1E2 240.1838 1.5E2 247.2059 2.3E2 251.1632 2.2E3 253.1716 1.8E2 259.1562 1.8E2 263.1981 1.1E2 265.1645 1.3E2 267.1519 1.4E2 269.1719 4.0E2 273.1759 1.4E2 289.1761 3.2E2 291.1934 2.1E3 291.3202 1.7E2 291.3540 1.1E2 292.1939 4.8E2 292.2536 1.1E2 307.1940 2.2E2 309.2057 6.3E2 323.7536 1.3E2 324.1796 1.0E2 324.2191 1.1E2 325.2003 2.1E2 326.8198 1.3E2 327.2141 1.4E4 328.2175 2.8E3 328.3064 1.7E2 328.6405 1.2E2 328.7639 1.1E2 329.2181 1.7E2 530.1105 1.5E2 END IONS BEGIN IONS FEATURE_ID=9512 PEPMASS=541.3090 SCANS=9512 RTINSECONDS=1876.068 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0229 1.1E2 71.0505 1.4E2 87.0115 1.4E2 97.0663 1.4E2 121.0638 1.3E2 132.9731 1.1E2 160.9466 1.1E2 170.0617 1.3E2 172.0985 1.5E2 178.0082 1.4E2 230.1210 1.4E2 310.0761 2.1E2 325.0698 2.2E2 347.1185 2.0E2 END IONS BEGIN IONS FEATURE_ID=9515 PEPMASS=765.3160 SCANS=9515 RTINSECONDS=1877.762 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 135.0393 1.6E2 137.0578 2.0E2 160.6565 1.0E2 201.1016 1.5E2 219.7754 1.3E2 227.1300 1.6E2 229.1020 1.3E2 245.1161 1.2E2 283.0895 1.2E2 288.0966 1.0E2 297.1106 1.5E2 301.1010 1.7E2 303.0723 1.4E2 313.0489 1.6E2 326.0426 1.1E2 424.4179 1.3E2 518.2070 1.3E2 531.2334 1.2E2 557.1863 1.8E2 558.1998 1.1E2 564.9978 1.1E2 608.0456 1.7E2 646.7936 1.0E2 647.3508 1.4E2 698.2980 1.1E2 729.2679 1.0E2 733.3580 1.1E2 765.3166 2.0E3 765.5591 1.9E2 765.6150 1.7E2 766.3075 8.3E2 767.0867 1.5E2 767.2250 1.7E2 767.3415 6.1E2 767.4459 3.0E2 768.3729 3.0E2 768.5222 1.3E2 769.3323 3.0E2 769.4187 2.1E2 END IONS BEGIN IONS FEATURE_ID=9528 PEPMASS=327.2158 SCANS=9528 RTINSECONDS=1880.754 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 83.0488 1.4E2 97.0605 1.0E2 119.0854 1.5E2 183.1344 3.2E2 END IONS BEGIN IONS FEATURE_ID=9530 PEPMASS=385.1733 SCANS=9530 RTINSECONDS=1880.965 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0087 2.2E2 171.1027 3.5E2 193.0838 1.2E2 220.0551 1.2E2 229.1428 2.0E2 233.1113 4.8E2 233.1506 1.9E2 239.1525 2.0E2 251.1195 2.2E2 269.0653 1.0E2 273.1364 1.3E2 278.1099 1.0E2 281.1697 1.8E2 306.0622 1.1E2 309.1976 1.1E2 310.0697 2.5E2 316.1545 1.0E2 327.2128 1.7E3 328.2148 4.3E2 349.1939 2.3E2 350.2058 1.0E2 355.0987 2.3E2 385.1746 4.0E2 386.1697 1.6E2 387.1756 1.2E2 END IONS BEGIN IONS FEATURE_ID=9532 PEPMASS=437.2285 SCANS=9532 RTINSECONDS=1880.965 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0221 1.5E2 135.0424 1.4E2 237.1422 1.3E2 267.1725 1.1E2 275.1304 1.3E2 282.1070 2.0E2 304.1538 1.8E2 327.2165 3.6E2 333.1669 1.1E2 369.0897 1.0E2 437.2587 2.4E2 439.2618 2.2E2 440.2042 1.6E2 END IONS BEGIN IONS FEATURE_ID=9544 PEPMASS=541.3127 SCANS=9544 RTINSECONDS=1881.672 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 135.0506 1.0E2 153.1213 1.0E2 185.1146 1.3E2 257.0824 1.1E2 310.0470 3.1E2 325.0627 1.2E2 337.0723 1.1E2 507.2336 1.4E2 END IONS BEGIN IONS FEATURE_ID=9557 PEPMASS=649.3920 SCANS=9557 RTINSECONDS=1883.316 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 89.0237 2.9E2 121.0347 1.1E2 137.0191 1.2E2 161.0497 2.1E2 187.0970 1.7E2 197.0463 1.5E2 221.6492 2.8E2 232.9891 1.5E2 333.1679 2.0E2 339.0569 1.8E2 340.0535 1.1E2 406.9993 1.6E2 411.1948 1.0E2 491.0916 1.6E2 519.1456 1.1E2 534.2163 1.3E2 583.2065 2.4E2 603.3134 2.0E2 605.3867 1.4E2 606.4299 1.5E2 606.9670 1.2E2 649.2354 1.3E2 649.2982 2.0E2 649.3978 1.1E3 649.5800 1.1E2 649.6366 1.1E2 650.3941 1.1E3 651.1948 1.7E2 651.3611 3.1E2 652.2077 1.1E2 652.3778 1.7E2 652.4496 1.4E2 653.3123 1.7E2 654.2899 1.3E2 826.0929 1.0E2 901.1705 1.3E2 END IONS BEGIN IONS FEATURE_ID=9564 PEPMASS=169.0862 SCANS=9564 RTINSECONDS=1886.047 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0485 2.7E2 83.0561 1.3E2 124.0835 2.2E2 152.3319 1.3E2 170.7247 1.2E2 195.3313 1.7E2 END IONS BEGIN IONS FEATURE_ID=9567 PEPMASS=519.2731 SCANS=9567 RTINSECONDS=1887.62 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 99.0502 2.4E2 126.5940 1.0E2 135.0459 1.1E2 152.0484 2.1E2 171.7521 1.2E2 179.0281 2.1E2 190.6927 1.8E2 197.0425 2.4E2 207.0933 1.0E2 215.0667 3.7E2 233.0537 1.3E2 260.0956 1.6E2 275.0291 1.2E2 295.0559 1.3E2 323.0560 1.0E2 324.0894 1.5E2 327.2219 1.3E2 333.0260 1.6E2 336.0421 1.1E2 339.0554 2.0E2 340.0919 1.5E2 349.1809 1.3E2 359.0650 1.7E2 359.2442 1.0E2 360.9403 1.4E2 361.1249 1.3E2 367.2095 1.7E2 435.2169 3.3E2 456.1169 1.2E2 456.1910 1.5E2 477.2864 2.3E2 501.2060 1.8E2 503.2322 1.0E2 519.1115 1.2E2 519.3266 2.7E2 520.3228 1.8E2 520.4785 1.3E2 521.3211 8.6E2 522.1817 1.3E2 522.3121 1.2E2 794.0473 1.6E2 END IONS BEGIN IONS FEATURE_ID=9569 PEPMASS=257.1375 SCANS=9569 RTINSECONDS=1888.482 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 95.0457 1.4E2 126.0656 1.2E2 135.0371 1.7E2 303.9055 1.9E2 END IONS BEGIN IONS FEATURE_ID=9574 PEPMASS=577.1312 SCANS=9574 RTINSECONDS=1890.088 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 65.0070 1.2E2 97.0575 1.3E2 101.0303 1.2E2 113.0195 4.2E2 117.0338 4.8E2 118.0363 1.5E2 119.0209 1.1E2 119.0530 2.2E2 121.0997 1.6E2 145.0282 3.6E3 145.1346 1.4E2 145.3615 1.0E2 146.0308 1.4E2 147.0361 1.0E2 172.2990 1.7E2 173.0241 1.9E2 177.1209 2.7E2 179.0328 1.0E2 197.0527 1.4E2 261.1704 1.3E2 266.4026 1.1E2 268.0352 5.7E2 269.0445 3.5E4 269.1908 8.1E2 269.8612 1.6E2 269.9458 1.2E2 270.0493 7.2E3 270.1256 1.9E2 270.6924 1.4E2 271.0498 6.8E2 271.0960 1.2E2 272.0443 1.4E2 274.6163 1.4E2 307.0840 2.9E2 311.0533 1.3E2 401.0792 1.7E2 413.0724 2.2E2 414.0903 1.1E2 419.1960 1.0E2 431.0888 3.8E2 431.1017 1.9E2 431.1440 1.4E2 432.0880 1.0E2 458.0920 1.1E2 577.1332 5.4E3 578.1319 2.8E3 579.1442 8.7E2 581.1455 1.6E2 END IONS BEGIN IONS FEATURE_ID=9575 PEPMASS=599.1156 SCANS=9575 RTINSECONDS=1890.088 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0124 1.0E2 85.0312 1.0E2 145.0224 1.4E2 177.0117 3.5E2 188.0932 1.0E2 227.0337 1.2E2 251.0720 1.7E2 283.1374 1.1E2 307.0683 2.3E2 309.0824 1.3E2 423.0633 2.7E2 446.5734 1.6E2 461.1894 2.2E2 533.1069 1.2E2 554.2732 1.6E2 599.1180 1.9E3 599.3328 1.4E2 599.6394 1.0E2 600.1190 5.3E2 600.2424 1.6E2 601.1206 4.4E2 601.2162 2.2E2 601.2897 3.2E2 602.1078 1.0E2 602.3486 4.9E2 603.2933 1.2E2 781.1039 1.3E2 860.7059 1.1E2 END IONS BEGIN IONS FEATURE_ID=9582 PEPMASS=519.3113 SCANS=9582 RTINSECONDS=1891.162 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9930 1.8E2 80.9596 1.2E2 102.9522 1.3E2 118.9769 1.5E2 299.2549 1.2E2 305.1853 2.2E2 327.2177 2.8E2 342.1825 1.2E2 357.2693 1.8E2 361.1771 1.2E2 386.1844 2.1E2 387.1875 2.2E2 400.2735 1.2E2 503.2315 1.2E2 519.3087 1.9E3 519.5061 1.7E2 520.3130 1.2E3 521.1973 1.5E2 521.3208 5.3E2 521.4101 1.5E2 521.6008 1.3E2 END IONS BEGIN IONS FEATURE_ID=9591 PEPMASS=327.2155 SCANS=9591 RTINSECONDS=1894.503 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0303 1.7E2 84.0204 1.7E2 95.0468 1.7E2 147.0434 1.8E2 174.0688 1.8E2 183.1371 1.4E2 269.0339 1.2E2 280.4702 1.1E2 410.4946 1.3E2 END IONS BEGIN IONS FEATURE_ID=9593 PEPMASS=395.2030 SCANS=9593 RTINSECONDS=1894.708 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 69.0315 1.6E2 71.0117 1.6E2 73.0318 1.6E2 85.0283 2.1E2 125.0559 1.3E2 138.0637 1.9E2 165.1229 1.9E2 177.1244 2.1E2 183.1365 2.7E2 204.0930 1.5E2 205.1580 3.8E2 218.0711 1.3E2 219.1342 1.2E2 233.1104 1.8E2 273.1392 2.2E2 275.1219 1.9E2 END IONS BEGIN IONS FEATURE_ID=9596 PEPMASS=541.3105 SCANS=9596 RTINSECONDS=1896.318 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 132.0665 2.7E2 135.0273 2.4E2 140.9165 1.4E2 214.1496 2.1E2 253.0800 1.4E2 341.2236 2.6E2 419.0653 1.0E2 423.1925 1.2E2 448.1761 1.0E2 497.2487 1.8E2 505.3297 1.9E2 506.1278 1.6E2 526.1916 1.0E2 541.3139 6.2E2 542.3070 3.4E2 543.2902 2.2E2 END IONS BEGIN IONS FEATURE_ID=9606 PEPMASS=543.3243 SCANS=9606 RTINSECONDS=1897.382 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 132.0922 1.2E2 137.0219 2.5E2 175.0222 1.3E2 179.0421 2.6E2 205.0447 1.3E2 285.1507 1.4E2 366.1714 1.2E2 444.1483 1.2E2 544.1486 1.1E2 END IONS BEGIN IONS FEATURE_ID=9609 PEPMASS=617.3498 SCANS=9609 RTINSECONDS=1898.207 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0171 3.7E2 87.0419 2.2E2 89.0232 6.5E2 89.0546 1.1E2 99.0073 1.1E2 101.0263 4.5E2 113.0263 3.2E2 125.0279 1.4E2 131.0340 2.1E2 135.0417 2.7E2 161.0433 4.2E2 174.0574 1.4E2 178.0280 1.1E2 179.0322 2.6E2 191.0555 1.3E2 197.0419 1.7E2 231.0343 2.4E2 267.0612 1.5E2 313.0419 1.1E2 357.7298 1.3E2 369.1262 1.0E2 378.9444 1.2E2 483.2032 1.1E2 485.3017 1.5E2 514.1736 2.4E2 605.0455 1.2E2 END IONS BEGIN IONS FEATURE_ID=9610 PEPMASS=653.3290 SCANS=9610 RTINSECONDS=1898.207 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9870 1.5E2 72.9914 1.2E2 116.9327 1.4E2 180.0362 1.1E2 197.0472 1.6E2 306.1252 1.2E2 368.0637 1.2E2 409.1042 1.1E2 495.1607 1.2E2 617.3413 1.8E2 619.2995 1.7E2 639.2726 2.0E2 653.3461 4.6E2 653.4896 1.1E2 654.3177 4.3E2 655.3354 4.5E2 655.4143 1.7E2 656.3045 2.0E2 END IONS BEGIN IONS FEATURE_ID=9614 PEPMASS=548.3398 SCANS=9614 RTINSECONDS=1898.891 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0137 1.2E3 85.0300 3.0E2 89.0263 7.2E2 101.0242 3.6E2 108.0461 1.5E2 113.0240 1.9E2 135.0431 1.5E2 148.0433 1.0E2 162.0206 1.9E2 186.3953 1.2E2 234.9105 1.3E2 251.0534 1.7E2 323.0649 1.1E2 326.0798 2.5E2 431.0533 1.7E2 459.1849 1.3E2 END IONS BEGIN IONS FEATURE_ID=9663 PEPMASS=252.1224 SCANS=9663 RTINSECONDS=1909.179 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 94.0268 1.8E2 108.0449 1.5E2 122.0267 9.5E2 122.3891 1.1E2 167.0557 1.8E2 END IONS BEGIN IONS FEATURE_ID=9670 PEPMASS=517.3165 SCANS=9670 RTINSECONDS=1910.623 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0139 1.9E2 91.0481 1.1E2 138.9985 1.6E2 184.8582 1.1E2 294.8454 1.1E2 307.1859 1.2E2 321.0193 1.4E2 339.0547 1.5E2 340.1460 1.3E2 341.0353 1.1E2 369.1118 1.7E2 378.0493 1.3E2 489.3323 1.1E2 501.3032 1.4E2 517.3237 9.8E2 518.3230 1.1E3 519.0989 2.6E2 519.3166 1.2E3 519.4156 2.3E2 520.3276 1.6E2 520.7691 1.0E2 537.0422 1.0E2 626.7825 1.1E2 847.0320 1.1E2 END IONS BEGIN IONS FEATURE_ID=9675 PEPMASS=731.1582 SCANS=9675 RTINSECONDS=1911.108 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 104.3805 1.2E2 109.0288 2.6E2 123.0362 1.9E2 135.0489 2.3E2 148.0411 1.7E2 150.0380 1.4E2 176.0357 1.1E2 178.0267 1.0E2 179.0234 1.0E2 185.0205 3.9E2 186.0201 1.2E2 203.0289 8.4E2 203.8324 1.0E2 228.1111 1.0E2 229.0126 1.8E2 263.0250 1.2E2 265.0507 2.0E2 269.0795 1.5E2 277.0508 3.9E2 278.0626 1.1E2 279.0329 4.9E2 279.1599 1.3E2 280.0297 1.6E2 295.0565 9.2E2 296.0586 3.2E2 297.0821 2.2E2 299.1512 1.2E2 303.0306 1.1E2 307.0498 1.1E2 321.0371 9.2E2 321.0954 2.1E2 322.0383 5.5E2 335.0235 1.1E2 338.0510 1.7E2 339.0527 1.2E3 340.0447 2.6E2 341.0660 2.2E2 348.1130 1.2E2 383.0810 1.1E2 393.0461 1.1E2 533.1048 7.8E2 533.2277 1.2E2 534.1085 2.4E2 535.1188 1.1E2 573.2197 1.0E2 663.1937 1.1E2 734.4098 1.2E2 903.3256 1.3E2 END IONS BEGIN IONS FEATURE_ID=9677 PEPMASS=313.0697 SCANS=9677 RTINSECONDS=1911.555 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 83.0271 2.2E2 105.0364 7.2E2 108.0248 2.1E2 115.0179 3.6E2 117.0544 1.6E2 123.0460 6.4E2 123.0734 1.4E2 132.0199 1.4E3 132.0545 1.4E2 133.0290 6.1E3 133.1247 1.7E2 133.1373 1.6E2 133.5828 1.0E2 134.0279 4.0E2 134.0365 3.2E2 134.0637 1.4E2 150.0305 6.1E2 161.0250 1.5E3 162.0279 1.5E2 162.0322 2.3E2 190.0404 1.2E2 253.6905 1.0E2 450.4567 1.0E2 887.0338 1.8E2 END IONS BEGIN IONS FEATURE_ID=9687 PEPMASS=325.1998 SCANS=9687 RTINSECONDS=1911.555 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 69.0351 4.4E2 71.0150 5.2E2 71.0474 2.0E2 73.0299 2.8E2 83.0482 3.8E2 84.0249 2.3E2 85.0298 1.2E4 85.0605 5.5E2 85.1134 2.9E2 86.0336 4.9E2 87.0419 2.0E2 93.0314 1.1E2 95.0550 1.8E2 97.0293 3.6E2 97.0663 1.4E3 97.3726 1.1E2 99.0421 4.8E2 101.0658 1.4E2 103.9648 1.0E2 109.0625 1.6E2 110.0387 1.5E2 111.0454 2.6E2 113.0561 2.7E2 123.0780 3.2E2 125.0578 3.5E2 125.0804 1.2E2 149.0376 1.1E2 162.0511 1.8E2 165.5544 1.6E2 168.1065 1.5E2 169.0919 1.3E2 171.0979 1.7E2 179.5888 1.3E2 181.1129 1.6E2 182.4591 2.2E2 183.1361 1.4E4 183.1773 3.3E2 183.2623 1.3E2 184.1354 1.2E3 184.2151 1.1E2 195.1374 4.1E2 196.1412 1.5E2 205.1156 1.6E2 207.1761 2.5E2 209.1108 3.5E2 211.1311 3.5E3 211.7290 1.3E2 212.1367 3.3E2 213.1404 1.5E2 219.1447 1.2E2 221.1620 2.0E2 223.1681 1.2E3 223.2143 1.9E2 225.0596 1.6E2 229.1388 2.6E2 233.1500 1.4E3 233.2255 1.3E2 234.1563 1.7E2 239.1655 1.1E3 240.1536 1.6E2 250.0564 1.0E2 251.1635 3.5E3 251.2401 2.2E2 251.3104 1.3E2 251.4168 1.1E2 251.5424 1.3E2 252.1671 7.6E2 265.2086 2.6E2 269.1748 2.0E3 269.3221 1.1E2 270.1803 4.3E2 273.1846 1.0E2 276.1930 1.0E2 283.1883 4.2E2 289.1910 1.1E2 291.1939 1.5E3 292.1962 1.9E2 304.0794 1.3E2 309.2023 1.2E3 310.2054 4.9E2 325.2059 2.5E2 326.1529 1.8E2 326.2153 1.6E2 327.0361 2.3E2 327.2129 1.5E4 328.2162 2.8E3 328.3349 2.6E2 328.3831 1.5E2 328.5007 1.6E2 328.6305 1.0E2 328.8408 1.6E2 329.2144 1.4E2 541.3864 1.5E2 553.9401 2.0E2 END IONS BEGIN IONS FEATURE_ID=9688 PEPMASS=809.3038 SCANS=9688 RTINSECONDS=1913.256 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 78.9601 1.0E2 135.0402 1.9E2 138.0257 2.0E2 150.0324 7.9E2 151.0347 5.6E2 151.0715 1.4E2 162.0265 1.6E2 164.0399 2.4E2 164.9385 1.0E2 165.0552 2.6E3 165.1279 1.6E2 166.0558 6.0E2 179.0787 1.1E2 180.0397 3.9E2 181.0507 2.7E2 195.0633 1.5E3 196.0652 1.6E2 197.0792 1.1E2 283.0551 2.0E2 292.0656 1.1E2 297.0623 1.6E2 311.0483 1.7E2 311.6487 1.4E2 323.0499 1.3E2 329.0899 2.8E2 372.1181 1.3E2 388.5493 1.1E2 407.0636 1.6E2 417.1447 2.4E2 421.0451 1.6E2 535.1873 2.0E2 536.1069 1.0E2 542.1051 1.1E2 549.2139 1.6E2 559.1603 1.1E2 565.1939 3.1E2 566.2114 2.3E2 END IONS BEGIN IONS FEATURE_ID=9690 PEPMASS=845.2821 SCANS=9690 RTINSECONDS=1913.256 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 135.0816 2.7E2 146.0663 1.6E2 151.0378 1.3E2 165.0543 2.9E2 195.0634 2.6E2 251.0610 1.4E2 371.1068 1.3E2 547.2223 1.0E2 550.1768 1.2E2 565.2113 1.2E2 595.1869 1.4E2 606.1935 2.3E2 625.1311 1.2E2 635.2424 1.6E2 641.0756 1.2E2 642.9843 1.3E2 651.1010 1.3E2 651.4395 1.5E2 663.0510 1.1E2 671.3299 1.4E2 738.2931 1.8E2 785.2793 1.5E2 789.3339 1.2E2 792.2438 1.1E2 803.2288 3.1E2 804.2401 1.4E2 809.3033 7.0E2 810.3146 4.2E2 811.3198 2.4E2 812.2062 1.4E2 812.9948 1.0E2 839.9387 1.0E2 845.4708 2.3E2 846.2553 1.1E2 847.0652 1.4E2 847.3130 4.6E2 847.4600 1.6E2 848.3134 3.1E2 849.1934 2.5E2 849.5027 1.1E2 END IONS BEGIN IONS FEATURE_ID=9703 PEPMASS=327.2159 SCANS=9703 RTINSECONDS=1916.097 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0486 1.5E2 85.0655 1.4E2 122.0354 1.9E2 122.3142 1.0E2 136.0115 2.7E2 147.0821 1.5E2 200.1788 1.0E2 528.3862 1.3E2 END IONS BEGIN IONS FEATURE_ID=9706 PEPMASS=695.2153 SCANS=9706 RTINSECONDS=1916.097 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0243 1.8E2 116.9230 1.6E2 119.0311 1.6E2 124.0500 1.4E2 177.0663 2.4E2 179.0276 1.2E2 180.0284 1.1E2 191.0514 7.9E2 207.0542 2.0E2 325.0708 1.3E2 326.0683 3.2E2 327.2165 1.6E2 339.0598 6.4E2 340.0560 3.1E2 354.0702 2.0E3 354.2357 1.2E2 354.9195 1.8E2 355.0761 2.0E3 355.1712 1.5E2 356.0762 3.3E2 386.0922 1.5E2 394.0725 1.7E2 397.1068 1.3E2 412.9925 1.3E2 425.0946 1.2E2 517.3319 1.3E2 627.2769 1.1E2 663.1973 5.9E2 663.9497 1.0E2 664.2023 2.4E2 END IONS BEGIN IONS FEATURE_ID=9727 PEPMASS=541.3123 SCANS=9727 RTINSECONDS=1920.244 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 95.0124 1.1E2 96.9567 2.6E2 110.9858 1.5E2 114.0544 3.6E2 171.0032 1.4E2 187.0560 1.2E2 217.0832 1.1E2 224.9359 1.2E2 225.9028 1.3E2 234.4392 1.5E2 317.0080 1.2E2 334.1144 1.3E2 339.0249 1.1E2 379.1845 1.2E2 379.8110 1.2E2 385.4309 1.1E2 387.2334 1.6E2 397.0106 1.5E2 408.1153 2.5E2 408.9787 2.1E2 415.0769 1.8E2 515.0235 1.1E2 834.9533 1.0E2 END IONS BEGIN IONS FEATURE_ID=9736 PEPMASS=426.2839 SCANS=9736 RTINSECONDS=1921.068 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (2 removed due to low quality, 0 removed due to low cosine). 97.0311 1.3E2 99.0521 1.5E2 99.5553 1.5E2 114.9752 1.0E2 116.0703 4.3E3 116.9265 1.2E2 117.0736 2.4E2 117.0787 1.0E2 125.4954 1.1E2 153.0823 1.6E2 162.0573 1.3E2 165.1278 1.4E2 171.1003 2.5E2 184.1746 1.0E2 201.0147 1.4E2 243.1208 1.1E2 247.6248 1.3E2 255.0633 1.3E2 267.2077 1.1E2 292.1945 1.2E2 381.1458 1.4E2 381.2324 1.0E2 391.1156 1.3E2 426.2840 3.6E3 426.4727 1.2E2 427.0995 1.7E2 427.2802 1.7E3 428.2930 2.2E2 429.2153 1.3E2 END IONS BEGIN IONS FEATURE_ID=9740 PEPMASS=713.1121 SCANS=9740 RTINSECONDS=1921.085 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 88.0386 1.2E2 89.0344 2.4E2 101.0256 1.2E2 109.0244 1.9E2 133.0330 1.0E2 135.0404 2.1E2 149.0257 1.1E2 151.0457 2.1E2 159.0490 1.4E2 160.0153 1.2E2 161.0205 2.4E2 177.0165 1.9E2 179.0324 1.8E2 219.0836 1.0E2 221.0343 1.6E2 229.0082 2.6E2 241.0244 1.8E2 243.0264 1.1E2 260.9438 1.4E2 275.0203 1.1E2 283.0507 1.1E2 294.0514 1.0E2 295.0553 2.9E2 309.0365 3.0E2 309.0549 1.2E2 313.0711 1.1E2 321.0342 1.4E2 335.0183 1.1E4 335.1926 1.6E2 335.2566 1.9E2 335.8781 1.0E2 336.0195 2.2E3 336.1341 1.0E2 336.1440 1.3E2 337.0266 3.0E2 337.0348 4.2E2 338.0347 4.3E2 339.0462 1.3E2 341.0638 1.4E2 353.0479 1.4E2 357.0463 3.5E2 394.1215 2.4E2 405.0653 1.8E2 413.0834 1.2E2 445.1264 2.6E2 472.0728 1.5E2 475.0813 2.1E2 489.1071 1.0E2 515.0309 2.0E2 516.0717 1.0E2 519.1052 1.2E2 522.8683 1.4E2 532.0436 2.2E2 533.0807 3.4E2 533.1481 1.0E2 555.1191 1.6E2 594.0723 2.4E2 616.6361 2.1E2 660.3137 1.4E2 696.1580 1.1E2 713.1074 5.8E2 713.3604 2.5E2 714.1138 2.5E2 714.3971 1.3E2 715.1209 1.6E2 715.3888 2.4E2 716.1335 3.4E2 717.1374 3.0E2 758.0132 1.1E2 965.1340 1.4E2 END IONS BEGIN IONS FEATURE_ID=9744 PEPMASS=297.1231 SCANS=9744 RTINSECONDS=1923.435 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 92.0518 1.3E2 104.0497 3.9E2 108.0809 6.7E2 108.1128 1.5E2 121.0526 1.8E3 122.0602 1.8E2 136.0763 1.6E3 137.0794 2.0E2 147.0347 2.0E2 148.0402 8.4E2 160.0375 2.2E2 205.5378 1.5E2 END IONS BEGIN IONS FEATURE_ID=9754 PEPMASS=345.2275 SCANS=9754 RTINSECONDS=1926.691 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 95.0500 1.2E2 96.9598 1.1E2 106.9575 1.5E2 121.9932 1.4E2 123.0799 2.9E2 132.0409 1.8E2 157.1172 1.7E2 248.2044 1.0E2 251.0388 1.5E2 309.1956 1.6E2 END IONS BEGIN IONS FEATURE_ID=9760 PEPMASS=831.4374 SCANS=9760 RTINSECONDS=1927.582 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 130.0478 1.4E2 145.0160 1.1E2 158.6470 1.4E2 163.0699 2.0E2 165.0943 2.4E2 179.0318 2.0E2 181.8489 1.4E2 235.0555 1.4E2 254.0178 1.4E2 270.1117 1.3E2 313.2350 2.2E2 314.0322 1.1E2 321.0395 1.7E2 332.1110 1.3E2 337.0329 1.1E2 339.0349 2.2E2 341.2270 1.8E2 357.2641 1.0E2 359.1200 1.3E2 391.0964 1.2E2 461.3250 1.9E2 471.3587 1.6E2 488.3118 2.0E2 490.3340 1.3E2 505.3023 1.4E2 506.3181 1.3E2 507.3308 6.1E2 507.4001 1.2E2 508.3379 5.1E2 509.3441 1.8E2 560.2158 1.8E2 633.3993 1.9E2 636.4328 1.2E2 651.3695 1.4E2 652.3745 1.7E2 669.3892 1.3E3 670.3938 1.1E3 671.4005 1.4E2 831.4329 1.1E3 831.5434 1.4E2 832.4343 4.1E2 833.2378 1.6E2 939.2513 1.6E2 END IONS BEGIN IONS FEATURE_ID=9765 PEPMASS=813.4497 SCANS=9765 RTINSECONDS=1928.543 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9597 1.3E2 85.0327 1.8E2 87.0462 1.5E2 87.0628 1.0E2 211.0314 1.0E2 464.1254 2.6E2 464.3023 1.4E2 507.4805 1.0E2 651.4007 2.2E2 652.3947 1.4E2 668.4023 1.2E2 679.9124 1.2E2 780.3531 1.6E2 813.4509 2.8E3 813.6976 1.3E2 814.2103 2.0E2 814.2784 1.1E2 814.4592 8.7E2 815.4611 1.2E3 815.6012 1.1E2 815.6767 1.4E2 816.2769 1.2E2 816.4632 3.1E2 END IONS BEGIN IONS FEATURE_ID=9767 PEPMASS=487.0656 SCANS=9767 RTINSECONDS=1928.573 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.2618 2.2E2 87.0471 1.2E2 92.9274 2.0E2 133.0313 1.6E2 135.0468 7.9E2 138.0657 1.3E2 147.0930 2.5E2 170.0580 1.5E2 193.0562 2.5E2 207.0387 1.4E2 220.0420 1.8E2 234.0242 2.7E2 235.0415 7.0E2 249.0406 2.0E2 254.1185 1.4E2 263.0349 2.7E3 263.1317 1.2E2 263.1788 1.6E2 264.0390 1.1E3 264.0891 2.1E2 265.0465 1.8E3 265.1717 1.3E2 266.0534 2.9E2 266.0941 1.5E2 278.0502 1.4E2 279.0259 6.4E2 279.0833 1.2E2 291.0248 1.4E2 295.0605 2.1E2 307.0195 7.0E2 308.0294 2.8E2 309.0372 1.0E3 321.0361 4.2E2 380.0527 1.6E2 END IONS BEGIN IONS FEATURE_ID=9782 PEPMASS=541.3140 SCANS=9782 RTINSECONDS=1932.437 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 116.0653 2.3E2 135.0463 3.3E2 167.0380 1.7E2 170.8790 1.5E2 171.1285 1.4E2 177.0118 1.2E2 188.0560 1.5E2 200.1359 1.6E2 257.1141 1.2E2 271.1491 1.1E2 309.0390 1.7E2 313.1596 1.3E2 324.1157 1.8E2 341.0678 2.1E2 345.0396 2.0E2 409.2548 1.1E2 445.0861 2.4E2 457.1169 1.2E2 472.1514 1.3E2 500.1285 1.1E2 506.2699 1.5E2 525.1759 1.1E2 541.3233 2.5E2 542.2077 2.5E2 542.3145 3.0E2 543.0971 2.4E2 543.2713 3.4E2 543.3876 1.3E2 544.2674 2.8E2 545.3570 1.1E2 715.1392 1.7E2 END IONS BEGIN IONS FEATURE_ID=9794 PEPMASS=331.2480 SCANS=9794 RTINSECONDS=1935.582 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 16 (0 removed due to low quality, 15 removed due to low cosine). 97.0669 3.0E2 127.1105 7.3E2 152.9602 1.4E2 155.1074 4.4E2 157.1201 4.2E2 161.0482 2.0E2 313.2303 2.0E2 331.2524 1.7E2 END IONS BEGIN IONS FEATURE_ID=9797 PEPMASS=367.2210 SCANS=9797 RTINSECONDS=1935.713 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 211.1217 1.5E2 229.1362 4.1E2 329.2306 9.2E2 329.2971 1.8E2 330.2315 3.2E2 331.2463 1.6E3 331.6822 1.5E2 332.1659 1.3E2 332.2420 4.4E2 333.7064 1.0E2 369.1231 1.1E2 END IONS BEGIN IONS FEATURE_ID=9800 PEPMASS=512.3004 SCANS=9800 RTINSECONDS=1935.932 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0199 1.4E2 74.0284 1.7E2 87.0466 1.3E2 102.9563 1.2E2 124.0434 1.4E2 193.0837 1.1E2 204.9713 1.0E2 218.0414 1.7E2 223.2054 1.4E2 253.2184 8.7E2 254.2230 4.2E2 265.2069 2.8E2 331.0150 1.3E2 747.1400 1.1E2 END IONS BEGIN IONS FEATURE_ID=9810 PEPMASS=269.0450 SCANS=9810 RTINSECONDS=1937.878 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 63.0248 1.2E3 63.0523 1.3E2 65.0032 2.2E3 77.0372 2.5E2 77.0434 1.2E2 79.0187 1.4E2 83.0124 1.8E2 89.0384 4.3E2 107.0127 8.0E2 107.0335 1.9E2 117.0351 7.4E3 117.1228 1.6E2 118.0358 1.0E2 118.0403 2.2E2 121.0289 4.7E2 128.0583 1.6E2 130.0425 2.7E2 143.0525 1.6E2 149.0276 4.8E2 151.0024 4.9E2 159.0457 2.1E2 182.0400 1.5E2 202.0637 1.7E2 641.1921 2.6E2 END IONS BEGIN IONS FEATURE_ID=9851 PEPMASS=329.2319 SCANS=9851 RTINSECONDS=1945.143 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 18 (0 removed due to low quality, 17 removed due to low cosine). 80.0241 1.1E2 99.0833 2.0E2 127.1098 1.8E2 139.1077 1.0E2 167.1394 1.5E2 171.0991 3.7E2 211.1321 2.3E2 259.5487 2.0E2 330.9380 1.7E2 END IONS BEGIN IONS FEATURE_ID=9852 PEPMASS=365.2082 SCANS=9852 RTINSECONDS=1945.143 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (2 removed due to low quality, 7 removed due to low cosine). 99.9248 1.3E2 117.0279 2.4E2 127.1109 1.9E2 157.1211 1.9E2 183.1194 1.1E2 185.1378 1.1E2 199.9570 1.3E2 211.1393 3.5E2 211.4279 1.1E2 216.9585 1.2E2 END IONS BEGIN IONS FEATURE_ID=9854 PEPMASS=397.2193 SCANS=9854 RTINSECONDS=1945.143 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (0 removed due to low quality, 13 removed due to low cosine). 68.0546 1.0E2 121.0162 1.2E2 137.0951 1.3E2 163.0187 1.1E2 165.1288 3.1E2 171.1000 4.7E2 182.1383 1.2E2 185.0872 1.7E2 187.1132 1.3E2 191.0572 2.2E2 193.0783 2.2E2 211.1356 2.4E2 212.1346 2.1E2 214.0236 1.2E2 234.1186 1.4E2 275.0956 1.1E2 315.1267 1.3E2 331.2517 2.0E2 END IONS BEGIN IONS FEATURE_ID=9856 PEPMASS=505.1134 SCANS=9856 RTINSECONDS=1945.177 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 71.0143 2.7E2 75.0094 2.7E2 78.9608 1.1E2 101.0232 4.2E2 152.0009 1.5E2 180.0588 1.0E2 195.0566 1.6E2 210.4974 1.3E2 225.0534 3.3E2 225.9471 1.2E2 233.0970 1.3E2 236.0315 1.7E2 239.0289 2.5E2 266.0554 3.2E2 267.0628 2.6E3 267.1668 1.5E2 267.2502 1.2E2 268.0691 4.9E2 268.1980 1.2E2 269.0606 2.8E2 283.0671 1.2E2 285.0611 1.3E2 295.0251 4.5E2 304.0624 1.4E2 309.0380 1.7E2 311.0587 4.9E2 312.0605 1.1E2 333.0355 1.3E2 345.1138 1.0E2 361.1365 1.1E2 365.1606 1.1E2 415.1050 1.0E2 507.3287 1.4E2 END IONS BEGIN IONS FEATURE_ID=9874 PEPMASS=512.2959 SCANS=9874 RTINSECONDS=1947.437 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0150 4.4E2 71.0454 1.2E2 72.9943 2.2E2 73.0316 1.3E3 73.0925 1.2E2 84.0406 1.2E2 88.0389 1.2E2 109.0390 1.2E2 221.1803 1.1E2 223.0991 1.7E2 223.2021 7.0E2 224.2072 4.6E2 225.2176 1.4E2 227.0109 1.5E2 235.2050 3.1E2 245.0267 1.2E2 253.2155 1.6E3 254.2117 7.5E2 254.2703 1.0E2 255.2358 1.1E2 265.2070 1.9E2 266.2406 1.7E2 282.2345 4.7E2 283.2417 2.0E2 290.2397 2.5E2 299.6815 1.5E2 315.2499 1.0E2 END IONS BEGIN IONS FEATURE_ID=9888 PEPMASS=439.2762 SCANS=9888 RTINSECONDS=1952.315 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9909 2.1E2 87.0411 1.6E2 87.0676 1.0E2 127.0523 3.7E2 128.0398 2.4E2 134.8891 1.1E2 138.0522 2.0E2 145.0566 3.9E2 244.9866 1.5E2 261.0458 2.4E2 290.2253 1.2E2 329.2307 4.0E2 343.2531 1.2E2 352.2100 2.3E2 373.1882 2.0E2 394.5808 1.1E2 421.2652 1.4E2 439.2772 1.8E3 439.4146 1.1E2 440.2860 7.3E2 441.2814 2.2E2 442.2554 1.7E2 END IONS BEGIN IONS FEATURE_ID=9900 PEPMASS=677.2067 SCANS=9900 RTINSECONDS=1954.763 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 173.0613 1.1E2 175.0004 4.8E2 191.0402 1.7E2 199.1502 1.6E2 267.0580 1.3E2 285.0445 1.2E2 298.0339 2.0E2 313.0184 4.7E2 314.0330 1.5E2 325.0350 2.0E3 325.1575 1.0E2 326.0356 4.3E2 353.0864 1.7E2 364.5723 1.2E2 368.0896 3.3E3 368.2650 1.3E2 369.0919 2.1E3 369.2108 1.5E2 369.2691 1.3E2 369.4673 1.1E2 370.1012 7.0E2 370.1688 1.1E2 371.0895 1.4E2 384.1134 1.0E2 413.1113 1.2E2 534.3044 1.2E2 677.2146 2.4E2 677.3388 1.3E2 678.2079 4.4E2 END IONS BEGIN IONS FEATURE_ID=9923 PEPMASS=521.2844 SCANS=9923 RTINSECONDS=1959.263 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.9651 1.0E2 97.0356 1.6E2 141.0144 1.1E2 152.9897 1.0E2 153.9917 1.3E2 197.0407 2.0E2 282.0085 1.1E2 324.2264 1.7E2 341.8720 1.3E2 357.1848 1.0E2 375.2067 1.3E2 481.1958 1.1E2 521.3160 2.8E2 523.2644 2.2E2 523.3658 1.1E2 524.2573 1.2E2 579.2448 1.2E2 END IONS BEGIN IONS FEATURE_ID=9927 PEPMASS=299.0544 SCANS=9927 RTINSECONDS=1959.363 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 63.0248 9.4E2 65.0050 3.6E2 83.0164 5.2E2 94.0084 1.3E2 107.0142 4.1E2 133.0270 3.5E2 134.0358 3.8E2 149.0183 1.2E2 151.0019 8.4E2 151.6863 1.2E2 158.0362 1.1E2 172.0611 1.8E2 187.0347 1.2E2 200.0425 2.1E2 211.0362 1.2E2 212.0487 1.9E2 213.0349 1.2E2 227.0400 2.3E2 228.0465 1.3E2 230.0797 1.2E2 255.0334 1.6E2 256.0488 3.6E2 283.0227 1.4E2 284.0333 6.0E2 285.0300 2.6E2 END IONS BEGIN IONS FEATURE_ID=9932 PEPMASS=509.2491 SCANS=9932 RTINSECONDS=1959.363 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 92.9252 1.8E2 132.0633 3.2E2 140.0793 1.4E2 163.0184 1.1E2 199.0475 1.7E2 253.2096 3.8E2 253.2506 1.2E2 265.2154 1.4E2 299.9392 1.5E2 308.2622 2.4E2 309.1151 1.3E2 311.2190 1.1E3 312.2278 1.1E2 314.2655 2.3E2 315.0536 1.3E2 348.1011 1.3E2 356.2734 6.7E2 357.2774 1.2E2 386.2805 2.4E2 398.2879 2.2E2 474.3149 1.1E2 479.1387 1.4E2 509.2057 1.2E2 511.1790 1.1E2 511.2723 1.7E2 512.2620 2.2E2 629.2736 1.0E2 END IONS BEGIN IONS FEATURE_ID=9937 PEPMASS=313.0708 SCANS=9937 RTINSECONDS=1959.548 CHARGE=1- MSLEVEL=2 MERGED_STATS=6 / 14 (0 removed due to low quality, 8 removed due to low cosine). 77.0398 2.6E2 89.0359 4.2E2 89.0424 2.9E2 105.0350 1.2E3 106.0523 1.2E2 107.0486 2.1E2 108.0218 1.1E2 108.6444 2.6E2 109.0301 1.7E2 115.0111 1.1E2 117.0292 2.6E2 122.0323 1.1E2 122.0402 2.0E2 122.0485 1.2E2 123.0428 2.5E3 123.0721 1.0E2 132.0201 2.8E3 132.0243 2.0E2 132.0559 1.5E2 133.0288 2.6E4 133.1078 1.3E2 133.1350 2.2E2 133.8409 1.2E2 134.0321 3.1E3 134.0647 1.6E2 135.0378 3.0E2 143.0601 1.0E2 145.5131 1.7E2 148.8050 1.2E2 149.0214 4.5E2 150.0313 2.9E3 151.0320 1.2E2 151.0361 6.8E2 151.1036 1.1E2 160.0082 1.1E2 161.0223 7.4E3 161.0519 4.1E2 161.0615 2.9E2 161.1449 1.0E2 162.0271 1.2E3 164.0361 1.6E2 END IONS BEGIN IONS FEATURE_ID=9938 PEPMASS=349.0480 SCANS=9938 RTINSECONDS=1959.641 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 12 (0 removed due to low quality, 8 removed due to low cosine). 61.9882 1.8E2 67.0545 1.1E2 71.0559 1.1E2 77.0398 1.3E2 89.0459 1.0E2 105.0348 1.1E3 105.0582 2.8E2 106.0407 1.3E2 109.0347 3.0E2 115.0108 1.4E2 122.9412 1.3E2 123.0422 1.4E3 123.0457 6.9E2 124.0477 1.6E2 132.0220 5.8E2 133.0288 9.4E3 133.0413 1.3E2 133.1121 1.5E2 133.1244 1.3E2 133.1344 1.4E2 133.1421 1.0E2 134.0300 5.2E2 134.0421 3.9E2 134.2966 1.4E2 135.0454 1.2E2 138.3763 1.5E2 150.0308 6.7E2 151.0380 1.8E3 151.0719 1.2E2 152.0470 1.2E2 161.0232 2.7E4 161.1386 1.0E3 161.3036 1.1E2 161.7187 1.2E2 161.9344 1.1E2 162.0246 3.3E3 162.1423 1.1E2 163.0249 1.4E2 163.0383 7.5E2 163.0705 1.3E2 183.0365 1.3E2 235.0050 1.7E2 254.0534 1.0E2 313.0691 1.7E2 539.9289 1.2E2 813.4172 1.0E2 938.4866 1.1E2 END IONS BEGIN IONS FEATURE_ID=9940 PEPMASS=361.1760 SCANS=9940 RTINSECONDS=1961.608 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0531 1.3E2 109.0646 1.7E2 123.0883 1.0E2 130.7784 1.2E2 183.0846 1.8E2 185.1083 2.6E2 186.1213 1.8E2 214.1537 1.3E2 219.1330 1.0E2 221.1542 1.0E2 222.1475 1.1E2 233.0662 1.5E2 239.1496 1.0E2 302.1818 1.0E2 311.1521 1.0E2 325.2061 3.1E2 327.2145 8.3E2 328.2125 2.3E2 329.2322 2.1E2 363.1805 1.5E2 363.9654 1.1E2 605.0250 1.0E2 END IONS BEGIN IONS FEATURE_ID=9952 PEPMASS=283.1538 SCANS=9952 RTINSECONDS=1964.198 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0304 2.2E2 92.9258 1.2E2 125.0979 1.3E2 161.1297 2.6E2 164.0051 2.4E2 195.1383 2.3E2 199.0378 1.4E2 223.1398 1.8E2 285.0364 4.8E2 285.1376 1.4E2 287.1938 1.4E2 337.3561 2.0E2 END IONS BEGIN IONS FEATURE_ID=9979 PEPMASS=321.1338 SCANS=9979 RTINSECONDS=1971.892 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 81.0347 2.4E2 96.9583 1.9E2 101.0261 7.7E2 110.3416 1.0E2 115.0568 1.3E2 117.0715 5.4E3 117.1274 1.1E2 118.0731 4.2E2 118.1124 1.2E2 130.4858 1.2E2 139.1214 1.2E2 149.0204 2.0E2 149.9936 2.6E2 150.0346 1.6E2 159.0674 1.5E2 162.0696 1.4E2 171.0991 1.4E2 177.0765 9.5E2 183.4578 1.2E2 209.1167 1.1E2 220.0660 1.0E2 234.1021 1.9E2 245.1120 1.1E2 249.0462 1.8E2 251.1686 1.0E2 261.1794 1.2E2 280.2016 1.3E2 321.1963 1.1E2 490.3231 1.0E2 END IONS BEGIN IONS FEATURE_ID=9988 PEPMASS=327.2161 SCANS=9988 RTINSECONDS=1972.744 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (6 removed due to low quality, 7 removed due to low cosine). 96.9601 2.7E2 97.0270 2.1E2 104.0546 1.6E2 118.0349 1.3E2 149.9967 1.3E2 177.1286 2.0E2 190.8863 2.6E2 213.1292 1.1E2 228.0232 1.6E2 241.0373 1.4E2 449.1757 1.1E2 END IONS BEGIN IONS FEATURE_ID=9989 PEPMASS=385.1736 SCANS=9989 RTINSECONDS=1973.807 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 111.0829 1.7E2 173.1167 2.1E2 179.1360 2.2E2 195.1351 1.9E2 197.7005 1.3E2 215.1438 1.7E2 219.1310 4.2E2 221.1430 1.2E2 239.1574 2.3E2 261.1411 2.5E2 363.0781 1.2E2 END IONS BEGIN IONS FEATURE_ID=9990 PEPMASS=395.2017 SCANS=9990 RTINSECONDS=1973.807 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 79.9577 1.3E2 128.1137 1.5E2 145.0703 1.1E2 181.1282 2.7E2 182.1267 1.6E2 193.1536 2.1E2 195.1373 1.0E2 196.9984 1.1E2 213.1295 2.5E2 215.1425 2.5E2 217.1233 2.9E2 219.1365 1.8E2 239.1574 1.7E2 247.1000 1.0E2 260.1348 1.6E2 261.1377 4.4E2 262.1033 1.1E2 321.1658 2.1E2 331.1772 1.8E2 END IONS BEGIN IONS FEATURE_ID=10009 PEPMASS=709.2336 SCANS=10009 RTINSECONDS=1974.259 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0230 1.2E2 151.0727 1.4E2 174.9970 1.3E2 218.0563 1.1E2 219.0717 1.2E2 235.0185 1.6E2 237.0746 1.0E2 283.0078 1.4E2 323.0813 2.6E2 325.0329 1.1E3 326.0380 3.1E2 327.0361 1.4E2 327.3339 1.2E2 328.0823 1.3E2 341.0806 1.6E2 365.1032 1.8E2 367.0918 1.1E2 368.0892 2.3E3 368.2380 1.4E2 369.0941 1.9E3 369.1631 2.7E2 370.1027 3.7E2 436.1344 1.7E2 445.0674 2.0E2 677.1970 1.3E3 677.3285 1.4E2 678.2131 5.7E2 738.1702 2.2E2 END IONS BEGIN IONS FEATURE_ID=10010 PEPMASS=565.1362 SCANS=10010 RTINSECONDS=1974.665 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 61.9879 1.2E2 109.0288 6.6E2 134.0487 1.9E2 146.0323 1.0E2 147.0804 1.0E2 161.0227 2.7E2 176.9693 1.4E2 181.0123 1.2E2 185.0221 6.7E2 208.0423 1.4E2 224.0739 1.1E2 226.0221 1.0E2 249.0608 1.6E2 253.0308 2.0E2 260.0429 1.1E2 264.0349 1.0E2 267.0620 4.2E2 277.0526 4.4E2 279.0325 4.4E2 280.0335 1.6E2 287.0015 2.8E2 293.0472 1.4E2 295.0663 3.6E2 296.0685 2.3E2 321.0400 2.7E2 339.0589 1.4E2 END IONS BEGIN IONS FEATURE_ID=10042 PEPMASS=577.1327 SCANS=10042 RTINSECONDS=1978.979 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 73.0342 1.8E2 78.9570 1.7E2 79.9590 1.4E2 80.9651 1.8E2 89.0414 1.5E2 93.0736 1.1E2 113.0319 1.5E2 117.0310 3.6E2 117.0356 7.6E2 119.0472 2.4E2 120.0516 1.7E2 125.0221 1.4E2 132.0563 1.4E2 133.0177 2.1E2 145.0288 7.6E3 145.0897 2.4E2 145.1392 2.7E2 145.7390 1.5E2 146.0324 1.0E3 146.0695 1.2E2 163.0390 2.7E2 170.0689 2.2E2 181.0336 1.6E2 183.0431 1.1E2 187.0983 1.5E2 226.0222 1.1E2 227.1179 1.6E2 257.0715 1.4E2 260.5429 1.3E2 268.0289 1.6E2 268.0368 1.3E3 269.0428 8.8E3 269.1549 1.1E2 270.0428 8.9E2 270.0505 1.0E3 270.1476 1.5E2 271.0501 5.2E2 271.2969 1.0E2 279.9954 2.5E2 283.0597 2.5E2 291.0550 1.2E2 292.0220 1.0E2 306.1507 1.3E2 307.0827 2.2E2 342.0593 1.3E2 413.0781 3.9E2 413.0911 5.6E2 414.0742 1.1E2 416.0601 1.0E2 417.2185 1.1E2 431.0900 1.2E3 432.0892 2.5E2 432.0993 2.0E2 433.0813 1.2E2 461.2380 1.8E2 511.1659 1.7E2 519.3342 1.1E2 577.1274 3.3E3 577.9908 1.0E2 578.1428 9.0E2 579.1306 1.6E2 580.2076 1.0E2 583.8342 1.1E2 END IONS BEGIN IONS FEATURE_ID=10050 PEPMASS=428.2970 SCANS=10050 RTINSECONDS=1981.016 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 115.0364 1.4E2 116.0688 8.6E2 116.1243 1.1E2 156.9987 1.9E2 297.1207 1.1E2 303.0510 2.6E2 382.9889 1.3E2 396.0786 1.2E2 428.2985 2.8E3 429.3028 8.3E2 430.2993 2.6E2 END IONS BEGIN IONS FEATURE_ID=10056 PEPMASS=514.3107 SCANS=10056 RTINSECONDS=1981.016 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 71.0153 2.1E2 119.0496 2.7E2 141.1438 1.0E2 151.0577 1.1E2 153.0880 1.2E2 225.2195 1.5E2 225.2322 1.8E2 226.2270 1.1E2 241.2131 1.0E2 254.2378 2.0E2 255.2292 5.0E3 255.3133 2.0E2 255.3854 1.3E2 256.2299 4.5E2 256.2364 6.9E2 258.2771 1.1E2 267.2284 3.9E2 268.2314 2.4E2 284.2454 1.5E2 284.2727 1.2E2 285.2632 1.5E2 292.2715 2.4E2 316.2809 1.2E2 322.0801 1.1E2 322.2728 1.3E2 378.1157 1.2E2 END IONS BEGIN IONS FEATURE_ID=10060 PEPMASS=667.3315 SCANS=10060 RTINSECONDS=1981.395 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0305 1.5E2 93.0309 2.4E2 109.0309 1.0E2 116.0765 1.2E2 122.0588 2.3E2 133.0334 1.5E2 135.0428 1.0E3 135.1040 1.0E2 145.0506 2.2E2 159.0427 1.6E2 161.0220 1.9E3 161.1378 1.1E2 161.7774 1.1E2 162.0206 1.1E2 174.0430 2.4E2 179.0367 3.1E2 180.0412 1.6E2 185.0277 1.2E2 191.0553 3.1E3 191.1854 1.6E2 192.0539 5.2E2 192.0948 1.2E2 193.9440 1.0E2 195.1108 1.9E2 204.0325 1.8E2 231.0309 1.1E2 269.2130 1.0E2 278.1117 2.1E2 291.1853 1.0E2 313.7688 1.5E2 321.0418 1.9E2 323.1768 2.8E2 331.2478 9.8E2 331.3195 1.2E2 332.2489 3.6E2 332.3102 1.0E2 339.0505 3.3E2 348.1498 1.3E2 481.2850 1.1E2 507.2525 1.1E2 528.3053 1.0E2 667.3381 1.8E2 668.0392 1.0E2 END IONS BEGIN IONS FEATURE_ID=10069 PEPMASS=301.2007 SCANS=10069 RTINSECONDS=1983.28 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 130.9727 1.7E2 183.1350 1.3E2 221.1812 2.0E2 END IONS BEGIN IONS FEATURE_ID=10083 PEPMASS=689.3886 SCANS=10083 RTINSECONDS=1985.326 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0188 1.1E2 73.0274 1.7E2 84.0215 1.4E2 113.0220 3.6E2 113.0428 1.4E2 135.0443 1.2E2 150.6759 1.3E2 153.0276 1.6E2 184.0565 1.6E2 273.0648 1.2E2 289.1384 1.0E2 292.9643 1.3E2 359.1763 1.1E2 433.0892 1.2E2 436.0104 1.8E2 491.3568 3.0E2 492.3641 3.6E2 653.4196 6.0E2 654.4028 2.8E2 691.4080 1.2E2 END IONS BEGIN IONS FEATURE_ID=10098 PEPMASS=737.1153 SCANS=10098 RTINSECONDS=1987.816 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 176.0116 1.2E2 179.0305 1.2E2 181.0426 1.5E2 292.0659 2.0E2 307.0682 1.2E2 316.0483 1.7E2 335.0519 1.6E2 337.0350 1.6E2 351.0430 1.6E2 353.0671 5.1E2 354.0659 2.1E2 379.0403 2.7E2 381.0597 3.3E2 382.0606 1.1E2 396.9079 1.6E2 397.0585 9.0E2 398.0491 2.6E2 454.1376 1.0E2 514.0925 2.2E2 515.1109 8.2E2 541.0720 3.4E2 541.1321 1.4E2 559.0851 4.0E2 560.0830 1.7E2 562.1638 1.1E2 591.0626 1.5E2 649.1266 1.2E2 652.1252 1.1E2 693.1219 2.0E2 693.3574 1.7E2 737.1178 1.0E3 737.2631 1.0E2 738.1243 5.4E2 738.1934 1.8E2 739.1201 3.1E2 739.3604 2.4E2 740.3594 1.1E2 END IONS BEGIN IONS FEATURE_ID=10104 PEPMASS=509.2480 SCANS=10104 RTINSECONDS=1988.372 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0093 1.7E2 99.9299 1.0E2 101.0266 3.7E2 109.0272 1.0E2 172.0622 1.2E2 183.0105 1.0E2 201.1085 1.1E2 223.1652 1.2E2 265.0484 1.3E2 292.1783 1.1E2 308.2608 1.0E2 331.0843 1.1E2 340.0659 1.4E2 372.1313 1.3E2 774.5145 1.0E2 END IONS BEGIN IONS FEATURE_ID=10132 PEPMASS=597.2321 SCANS=10132 RTINSECONDS=1993.406 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0168 1.1E2 89.0207 1.5E2 99.0105 1.0E2 118.9313 1.7E2 122.0397 1.2E2 135.0449 1.0E2 138.0389 1.4E2 150.0303 4.5E2 151.0335 1.8E2 164.0443 1.4E2 165.0534 2.0E3 165.1677 1.1E2 166.0549 2.7E2 195.0620 2.5E2 241.1089 1.1E2 303.9055 1.1E2 322.4268 1.2E2 337.1119 1.4E2 341.1377 2.1E2 342.0980 2.1E2 353.1060 2.4E2 357.1157 1.5E2 368.1227 1.1E2 389.1375 1.1E2 405.2701 1.2E2 413.2456 1.0E2 441.0867 1.3E2 477.1943 1.0E2 481.2036 1.1E2 END IONS BEGIN IONS FEATURE_ID=10145 PEPMASS=287.2210 SCANS=10145 RTINSECONDS=1995.276 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (2 removed due to low quality, 2 removed due to low cosine). 67.0582 1.0E2 111.0792 2.5E2 127.1070 2.5E2 130.9621 1.6E2 147.0737 2.6E2 242.2166 1.3E2 269.2085 1.6E2 270.2126 1.1E2 285.2072 1.2E2 287.2211 4.3E3 287.6880 1.2E2 288.2249 1.5E3 288.3501 1.0E2 288.4897 1.1E2 288.9349 1.4E2 289.2320 2.4E2 289.7951 1.1E2 291.1265 1.9E2 569.7718 1.2E2 570.4998 1.8E2 END IONS BEGIN IONS FEATURE_ID=10152 PEPMASS=711.1921 SCANS=10152 RTINSECONDS=1996.602 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 88.0404 2.0E2 179.0279 1.7E2 179.4715 1.5E2 185.0610 1.2E2 200.1035 1.1E2 337.0310 1.2E2 402.0651 1.7E2 403.0810 2.6E2 451.7317 1.3E2 503.2531 1.4E2 519.3356 1.1E2 529.7304 1.0E2 533.0755 1.1E2 639.2262 1.4E2 644.2633 1.3E2 656.3377 1.2E2 675.3825 1.2E2 711.1965 2.4E3 711.4314 1.2E2 712.2031 8.6E2 712.3966 2.3E2 712.8549 1.2E2 713.3431 2.4E2 714.1945 1.1E2 END IONS BEGIN IONS FEATURE_ID=10154 PEPMASS=426.2821 SCANS=10154 RTINSECONDS=1998.266 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 114.0930 3.4E2 116.0705 2.8E3 116.1263 2.4E2 116.1706 1.6E2 117.0751 4.5E2 125.0977 1.2E2 134.0240 2.6E2 137.0530 1.3E2 161.0202 1.8E2 179.1370 1.8E2 190.3410 1.2E2 198.1799 1.7E2 224.1932 1.4E2 312.5706 2.3E2 359.2725 1.4E2 END IONS BEGIN IONS FEATURE_ID=10162 PEPMASS=445.0944 SCANS=10162 RTINSECONDS=1998.268 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 110.0370 1.4E2 113.0605 2.0E2 123.0432 1.0E2 149.0202 1.4E2 150.0329 1.3E2 152.9986 4.4E2 265.0476 6.6E2 265.1416 1.0E2 266.0653 1.9E2 267.0631 1.1E2 286.1016 1.8E2 293.0552 1.9E2 305.1048 1.5E2 329.2357 5.3E2 369.2145 1.7E2 417.0887 1.4E2 418.1136 1.2E2 445.0953 1.4E3 445.1877 2.3E2 446.1024 4.6E2 446.1986 1.1E2 446.2716 1.6E2 447.0842 1.2E2 449.2505 1.2E2 616.9603 1.3E2 END IONS BEGIN IONS FEATURE_ID=10183 PEPMASS=440.2970 SCANS=10183 RTINSECONDS=2000.691 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 111.0838 1.1E2 115.0069 1.4E2 119.0852 1.5E2 122.0257 2.1E2 128.0343 1.5E2 128.1161 2.4E2 129.7754 1.0E2 130.0860 3.4E3 130.1431 1.5E2 130.1889 1.2E2 131.0951 1.3E2 143.0702 2.0E2 149.0190 1.2E2 150.0245 2.0E2 151.0234 1.7E2 171.1073 1.1E2 182.9465 1.4E2 188.0874 2.3E2 191.0513 1.2E2 191.1215 1.3E2 203.0740 1.9E2 241.0538 1.2E2 261.0920 1.6E2 265.0377 1.4E2 301.1014 1.5E2 307.1834 1.1E2 327.2134 1.2E2 400.2851 1.3E2 409.1499 1.5E2 440.2996 3.6E3 440.4038 2.0E2 440.4687 2.2E2 441.3013 2.0E3 441.4099 1.2E2 442.2986 5.5E2 442.3495 1.1E2 END IONS BEGIN IONS FEATURE_ID=10192 PEPMASS=419.2647 SCANS=10192 RTINSECONDS=2003.174 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 85.0686 1.3E2 185.1189 1.1E2 237.0851 1.3E2 257.2157 2.1E2 284.9269 1.1E2 315.1526 2.2E2 329.1304 1.4E2 419.2664 1.8E3 419.4525 1.0E2 420.2644 4.8E2 421.2791 2.8E2 422.1613 1.4E2 422.2244 1.0E2 END IONS BEGIN IONS FEATURE_ID=10212 PEPMASS=329.2317 SCANS=10212 RTINSECONDS=2006.828 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (4 removed due to low quality, 5 removed due to low cosine). 99.0808 1.7E2 100.0779 1.2E2 107.0445 1.1E2 125.0941 4.1E2 129.0907 2.2E2 131.0880 1.3E2 169.1208 1.6E2 170.1260 2.1E2 171.0372 2.5E2 171.0983 2.7E2 173.1043 1.2E2 200.1338 1.3E2 748.4079 1.5E2 END IONS BEGIN IONS FEATURE_ID=10241 PEPMASS=229.1439 SCANS=10241 RTINSECONDS=2011.184 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 167.1441 1.1E3 211.1318 1.6E3 212.1453 1.1E2 229.1422 1.2E2 END IONS BEGIN IONS FEATURE_ID=10244 PEPMASS=649.3968 SCANS=10244 RTINSECONDS=2011.184 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0128 4.4E2 78.9548 1.4E2 79.8665 1.0E2 85.0355 1.5E2 113.0207 2.1E2 134.0347 2.6E2 135.0395 3.7E2 137.0183 1.4E2 150.0384 1.3E2 152.9956 1.1E2 154.0372 1.4E2 234.0513 1.1E2 242.1141 1.1E2 266.0499 1.0E2 379.5945 1.4E2 385.1013 2.4E2 449.0441 1.1E2 468.1951 1.7E2 487.3470 6.1E2 487.4440 1.1E2 516.0804 1.3E2 619.2222 1.3E2 645.7973 1.4E2 649.3945 4.5E3 649.6187 2.0E2 649.7261 1.1E2 650.4003 2.7E3 650.6215 1.4E2 651.0929 1.2E2 651.3967 8.1E2 651.4730 2.2E2 651.7170 1.4E2 652.4263 2.1E2 653.3730 1.9E2 END IONS BEGIN IONS FEATURE_ID=10283 PEPMASS=537.0808 SCANS=10283 RTINSECONDS=2016.245 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9915 1.4E2 93.0332 2.1E2 116.0226 1.7E2 117.0343 4.7E2 118.0386 1.5E2 159.0386 1.0E2 161.0162 1.3E2 195.0427 2.1E2 213.0116 1.2E2 223.0425 1.2E2 255.0234 2.5E2 257.0090 3.7E2 258.0093 2.3E2 268.0487 1.1E2 278.0732 1.1E2 281.0078 1.8E2 297.0376 2.0E2 305.0285 1.0E2 307.0571 1.1E2 331.0529 2.9E2 332.0719 1.7E2 333.0327 1.2E2 347.0685 1.5E2 348.0565 1.1E2 374.0306 3.0E2 375.0493 3.1E3 375.2270 1.4E2 376.0485 1.1E3 376.1694 1.1E2 377.0501 2.9E2 399.0426 3.8E2 400.0464 1.8E2 401.0423 4.1E2 402.0587 1.1E2 417.0597 1.5E3 417.1645 1.9E2 443.0427 1.2E2 449.2295 1.3E2 451.0844 1.2E2 540.3386 1.4E2 753.5715 1.8E2 END IONS BEGIN IONS FEATURE_ID=10286 PEPMASS=687.3723 SCANS=10286 RTINSECONDS=2016.287 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 160.0450 1.7E2 309.9839 2.6E2 327.1010 1.0E2 333.0984 1.2E2 360.0868 1.3E2 382.5310 1.6E2 395.0851 1.0E2 423.0856 1.3E2 478.1506 2.7E2 491.0932 1.1E2 495.0696 1.5E2 552.1663 1.5E2 611.4122 1.2E2 619.2610 1.4E2 645.2264 1.2E2 650.2437 1.6E2 651.3989 8.1E2 651.4847 2.6E2 652.3995 3.5E2 654.4040 1.1E2 669.2742 1.0E2 687.3633 4.8E2 688.3848 4.6E2 688.4353 1.1E2 689.1242 1.0E2 689.3411 7.2E2 689.4231 3.7E2 690.0830 1.0E2 690.3892 2.1E2 690.4453 1.1E2 691.3250 1.3E2 END IONS BEGIN IONS FEATURE_ID=10297 PEPMASS=329.2322 SCANS=10297 RTINSECONDS=2018.808 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 79.9614 1.7E2 95.9489 2.6E2 96.9636 2.9E2 99.0806 1.0E2 116.0785 1.1E2 125.0900 1.6E2 129.0909 2.3E2 155.1063 1.1E2 164.0162 1.8E2 168.7839 1.2E2 178.0176 1.2E2 197.1223 1.4E2 199.1307 2.3E2 285.1164 1.2E2 333.3390 1.3E2 END IONS BEGIN IONS FEATURE_ID=10307 PEPMASS=692.3539 SCANS=10307 RTINSECONDS=2018.531 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0246 2.7E2 119.0342 1.5E2 135.0449 1.7E2 161.0532 1.5E2 236.0814 1.2E2 253.0816 2.1E2 277.1945 1.6E2 293.2062 7.8E2 293.2507 2.9E2 294.2154 6.1E2 294.2706 1.1E2 341.0974 1.8E2 381.0623 1.3E2 387.0540 1.1E2 397.1299 5.8E2 398.1373 8.4E2 415.1494 2.4E2 416.1465 2.9E2 417.1458 2.2E2 418.9955 1.6E2 426.1340 1.1E2 519.1775 1.2E2 649.3924 1.0E2 661.1815 2.4E2 674.3428 1.1E2 677.2719 1.4E2 692.3527 2.1E2 693.2101 1.5E2 693.3582 4.3E2 694.2436 1.1E2 695.1962 5.6E2 695.3579 1.9E2 END IONS BEGIN IONS FEATURE_ID=10334 PEPMASS=539.2979 SCANS=10334 RTINSECONDS=2021.919 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 194.0853 1.7E2 213.0633 1.4E2 262.1081 1.4E2 269.0426 1.3E2 270.1570 1.2E2 273.0685 1.2E2 287.1141 1.3E2 310.1288 1.1E2 329.2197 1.0E2 359.1377 1.2E2 390.2551 2.8E2 473.0477 2.3E2 539.3049 1.6E2 540.3298 1.7E2 541.2438 1.1E2 541.3391 2.2E2 543.2625 1.6E2 END IONS BEGIN IONS FEATURE_ID=10336 PEPMASS=307.1885 SCANS=10336 RTINSECONDS=2022.643 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 69.0372 3.1E2 71.0148 1.8E2 71.0483 1.4E2 82.3006 1.1E2 86.9767 1.1E2 108.0843 1.3E2 114.0542 1.7E2 119.0508 1.1E2 130.9642 1.1E2 222.1492 2.6E2 251.1183 1.4E2 293.2344 2.0E2 309.1668 1.8E2 END IONS BEGIN IONS FEATURE_ID=10341 PEPMASS=449.2383 SCANS=10341 RTINSECONDS=2023.444 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0235 5.9E2 84.7277 1.1E2 86.0685 1.9E2 93.0318 1.1E2 149.0919 1.2E2 150.1047 1.5E2 152.9976 2.0E2 165.1238 4.7E2 178.9376 1.1E2 187.0846 1.2E2 188.0425 1.3E2 200.0213 1.3E2 247.1975 3.9E2 274.1798 1.6E2 291.1928 1.3E3 292.2015 2.6E2 310.0341 1.5E2 345.0876 1.1E2 446.0498 1.3E2 735.2904 1.0E2 END IONS BEGIN IONS FEATURE_ID=10366 PEPMASS=309.2047 SCANS=10366 RTINSECONDS=2027.666 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 98.9581 1.6E2 142.0630 1.2E2 END IONS BEGIN IONS FEATURE_ID=10387 PEPMASS=239.1278 SCANS=10387 RTINSECONDS=2031.671 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (2 removed due to low quality, 0 removed due to low cosine). 71.0110 1.7E2 77.7570 2.2E2 94.6562 1.1E2 130.9607 1.8E2 195.1377 5.1E2 195.1708 2.1E2 196.1460 1.9E2 END IONS BEGIN IONS FEATURE_ID=10388 PEPMASS=578.3056 SCANS=10388 RTINSECONDS=2031.796 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (2 removed due to low quality, 5 removed due to low cosine). 78.9601 2.5E2 80.9668 1.6E2 140.1091 1.4E2 168.0422 2.6E2 171.0985 1.7E2 195.1386 1.8E2 224.0727 2.5E2 226.0736 1.6E2 235.0152 2.1E2 275.2017 5.3E2 293.2139 1.0E3 294.2125 7.9E2 294.2931 1.2E2 301.1713 2.0E2 401.1027 1.2E2 433.1089 1.1E2 519.2720 1.0E2 END IONS BEGIN IONS FEATURE_ID=10390 PEPMASS=445.0944 SCANS=10390 RTINSECONDS=2033.452 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 111.0487 1.3E2 137.0251 1.7E2 150.0268 2.5E2 150.0603 1.0E2 151.0373 1.4E2 152.9901 1.2E2 171.0064 1.3E2 174.9551 2.9E2 179.0244 2.5E2 265.0437 6.6E2 284.0226 1.8E2 285.2068 1.2E2 295.0575 1.4E2 308.0124 1.4E2 329.2332 3.0E2 329.2894 1.1E2 335.1847 1.3E2 380.9764 1.2E2 399.0849 1.1E2 401.3564 1.2E2 412.1099 1.5E2 417.0955 1.2E2 445.0960 1.2E3 445.2032 3.1E2 446.0967 7.6E2 446.2307 1.5E2 447.0776 1.3E2 448.2039 1.0E2 END IONS BEGIN IONS FEATURE_ID=10391 PEPMASS=385.2237 SCANS=10391 RTINSECONDS=2033.452 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0495 1.3E2 85.0672 2.2E2 97.9315 1.0E2 101.9307 1.0E2 104.0239 1.3E2 131.0826 2.0E2 167.1408 2.8E2 169.1236 1.5E2 171.1118 1.0E2 224.2025 2.2E2 229.1401 1.4E2 267.1942 6.0E2 267.2753 1.1E2 276.1649 1.1E2 293.1840 1.4E2 END IONS BEGIN IONS FEATURE_ID=10407 PEPMASS=431.2269 SCANS=10407 RTINSECONDS=2033.606 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 114.0267 2.1E2 115.0348 1.2E2 119.0332 1.5E2 141.0200 1.3E2 169.0841 1.2E2 178.0793 1.6E2 187.0914 5.5E2 255.0589 1.2E2 261.1310 1.6E2 263.1172 1.1E2 277.1175 1.3E2 345.0329 1.0E2 431.2226 3.9E2 432.2141 3.2E2 432.2663 1.3E2 END IONS BEGIN IONS FEATURE_ID=10414 PEPMASS=491.3158 SCANS=10414 RTINSECONDS=2036.22 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0094 8.6E2 78.9614 4.0E2 80.7483 1.0E2 101.0230 3.9E2 118.9007 1.7E2 119.0360 9.5E2 121.0364 1.2E2 133.0434 4.0E2 133.0688 1.1E2 135.0522 1.6E2 149.0228 1.0E2 161.7814 1.5E2 177.0738 1.5E2 178.0838 1.0E2 181.1588 1.3E2 187.1331 1.5E2 192.4984 1.7E2 218.0168 2.1E2 219.0216 1.1E2 267.0515 2.0E2 269.0577 1.2E2 294.0515 1.6E2 299.2621 1.1E2 312.0563 1.6E2 313.0233 1.3E2 331.2492 7.4E2 332.2476 1.9E2 415.0521 2.2E2 434.2930 2.4E2 494.1565 1.2E2 END IONS BEGIN IONS FEATURE_ID=10425 PEPMASS=307.1904 SCANS=10425 RTINSECONDS=2038.062 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 80.0235 1.0E2 81.0340 1.1E2 93.0315 1.9E2 106.0404 2.0E2 107.0394 1.5E2 107.0846 1.0E2 109.0632 3.2E2 166.0904 1.1E2 183.0984 1.1E2 195.1765 1.4E2 END IONS BEGIN IONS FEATURE_ID=10427 PEPMASS=487.2864 SCANS=10427 RTINSECONDS=2038.871 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 87.0454 1.1E2 96.0430 1.8E2 101.0192 5.7E2 107.0566 1.3E2 109.0251 1.3E2 115.0428 1.1E2 119.0325 1.1E3 123.0093 1.3E2 133.0546 2.8E2 150.4352 1.2E2 161.0208 1.8E2 162.0299 2.3E2 171.0991 2.9E2 173.0410 1.7E2 177.0761 7.1E2 178.0746 4.5E2 179.0390 2.2E2 207.1365 1.2E2 213.1112 1.1E2 229.1346 1.0E2 241.1067 1.2E2 251.6475 2.8E2 259.0575 1.3E2 289.1066 1.6E2 310.0314 1.8E2 310.2322 1.5E2 311.0491 3.3E2 327.2159 1.1E3 328.2142 3.4E2 329.2392 1.4E2 330.2335 1.2E2 331.2592 1.7E2 353.0632 1.0E2 367.0927 1.8E2 413.2568 2.2E2 415.1415 1.5E2 421.2504 1.5E2 487.2741 2.2E2 488.2334 1.3E2 489.2682 2.3E2 490.0957 2.5E2 490.2797 3.7E2 491.0947 2.0E2 491.1736 1.0E2 491.3020 2.2E2 611.9920 1.7E2 651.3946 1.1E2 END IONS BEGIN IONS FEATURE_ID=10432 PEPMASS=447.3308 SCANS=10432 RTINSECONDS=2041.472 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.0168 2.9E2 95.0497 1.8E2 99.0373 1.0E2 130.0431 1.5E2 135.0457 2.1E2 152.9935 1.9E2 157.1211 2.3E2 169.1240 2.1E2 199.1298 1.1E2 228.1016 1.2E2 250.0617 1.4E2 267.4918 1.1E2 402.2554 1.2E2 406.0495 1.7E2 448.2301 1.1E2 END IONS BEGIN IONS FEATURE_ID=10439 PEPMASS=387.2860 SCANS=10439 RTINSECONDS=2041.706 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 61.9868 1.6E2 75.0084 1.8E2 99.0448 1.8E2 102.0532 1.0E2 121.0644 1.3E2 147.9031 1.4E2 230.1370 2.7E2 234.0669 1.1E2 263.1241 1.1E2 283.2649 1.3E2 284.0913 2.3E2 288.0911 1.8E2 299.1558 2.2E2 327.2356 1.8E2 329.2248 2.1E2 340.0550 1.2E2 390.9939 1.4E2 END IONS BEGIN IONS FEATURE_ID=10440 PEPMASS=341.2314 SCANS=10440 RTINSECONDS=2042.616 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 74.0267 1.2E2 85.0325 1.2E2 721.4610 1.1E2 END IONS BEGIN IONS FEATURE_ID=10443 PEPMASS=409.2177 SCANS=10443 RTINSECONDS=2042.616 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0547 2.1E2 87.0407 2.4E2 107.0547 2.2E2 107.0848 1.4E2 152.9990 1.5E2 156.9740 1.8E2 157.0197 1.4E2 202.6089 2.7E2 205.1053 1.1E2 210.0681 1.1E2 243.1308 5.1E2 256.0723 1.0E2 275.0613 1.7E2 END IONS BEGIN IONS FEATURE_ID=10445 PEPMASS=524.2950 SCANS=10445 RTINSECONDS=2042.616 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0168 2.3E2 97.0675 1.7E2 125.0595 1.4E2 174.8861 1.7E2 175.0219 1.6E2 185.1303 2.3E2 193.0713 1.1E2 201.1071 1.3E2 217.1195 1.3E2 229.1887 1.5E2 238.0273 1.4E2 253.2212 2.4E2 262.1366 1.2E2 273.1861 1.6E2 291.1880 1.2E2 293.1985 1.4E2 309.2042 1.3E2 317.7077 1.5E2 398.2763 2.6E2 413.1652 2.1E2 434.1204 1.7E2 450.2907 1.7E2 457.2499 1.3E2 468.1675 2.1E2 489.1461 1.1E2 524.2151 1.4E2 524.3045 2.0E2 525.2833 3.9E2 526.0204 1.3E2 526.3582 1.6E2 527.1838 3.8E2 552.7746 1.3E2 690.2436 1.3E2 988.0822 1.0E2 END IONS BEGIN IONS FEATURE_ID=10446 PEPMASS=329.2322 SCANS=10446 RTINSECONDS=2043.658 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (8 removed due to low quality, 3 removed due to low cosine). 85.0216 1.1E2 99.0789 2.6E2 125.0937 1.5E2 169.1286 1.8E2 END IONS BEGIN IONS FEATURE_ID=10461 PEPMASS=442.3137 SCANS=10461 RTINSECONDS=2045.051 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0131 1.2E2 96.9604 1.4E2 116.9301 3.4E2 130.0857 4.2E2 145.0717 1.3E2 148.9460 1.5E2 240.1774 1.2E2 252.0627 1.4E2 253.2129 1.6E2 302.4265 1.2E2 309.1003 2.1E2 311.2269 1.8E2 313.0855 1.4E2 329.2259 1.9E2 330.2411 1.6E2 343.2148 1.2E2 377.1768 1.0E2 414.5561 1.1E2 442.3140 1.5E3 442.4083 1.7E2 443.3199 7.3E2 443.4099 1.2E2 444.2303 1.3E2 444.3179 3.6E2 445.2453 1.7E2 446.2711 1.2E2 738.3036 1.2E2 END IONS BEGIN IONS FEATURE_ID=10462 PEPMASS=505.1162 SCANS=10462 RTINSECONDS=2047.007 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 105.0372 1.5E2 108.0209 3.4E2 109.0263 3.8E2 110.0326 1.8E2 111.0908 1.0E2 129.0420 1.1E2 136.0118 2.1E2 157.0265 1.9E2 161.0261 1.5E2 177.0974 1.0E2 185.0182 3.1E2 186.0924 1.3E2 197.0483 1.0E2 198.0330 1.2E2 202.0688 1.5E2 221.0695 1.8E2 232.0336 3.9E2 247.0815 2.6E2 248.0438 1.4E2 249.0443 2.2E2 250.0567 1.7E2 265.0515 1.4E2 275.0295 1.1E2 276.0524 2.6E2 277.0430 3.3E2 279.0260 1.3E2 292.0287 3.2E2 293.0484 4.2E2 294.0546 1.6E2 301.0525 1.7E2 321.0393 9.0E2 331.8619 1.3E2 355.1372 1.0E2 362.2745 1.3E2 389.4240 1.5E2 505.2709 1.0E2 END IONS BEGIN IONS FEATURE_ID=10464 PEPMASS=322.2004 SCANS=10464 RTINSECONDS=2045.75 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 71.0127 1.6E2 82.0610 1.4E2 82.0735 1.4E2 96.9672 1.9E2 117.0316 1.9E2 125.0965 2.6E2 127.0846 1.0E2 128.1084 2.3E3 128.1687 1.3E2 129.1105 2.2E2 129.3221 1.1E2 130.0873 1.2E4 130.1514 1.5E2 130.1914 1.6E2 131.0897 1.2E3 131.0980 1.5E2 131.5345 1.2E2 132.0938 1.4E2 135.0748 2.3E2 139.1143 1.4E2 151.1114 1.2E2 162.0445 1.4E2 167.1073 1.3E2 171.1036 1.8E2 172.0971 3.1E2 178.1279 1.1E2 189.0352 1.3E2 223.1313 1.2E2 225.1383 2.1E2 237.1464 1.1E2 247.5878 2.5E2 249.2273 2.0E2 267.1441 2.5E2 279.1175 1.4E2 279.2026 1.5E2 304.1665 1.6E2 322.2036 8.1E2 322.2554 1.2E2 323.1036 1.2E2 323.1515 1.7E2 365.9793 1.4E2 477.9529 1.5E2 583.4573 1.4E2 END IONS BEGIN IONS FEATURE_ID=10506 PEPMASS=487.2886 SCANS=10506 RTINSECONDS=2054.145 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 69.0337 1.3E2 75.0102 1.8E2 101.0252 9.3E2 119.0341 8.2E2 133.0475 2.8E2 151.0731 1.7E2 161.0205 1.1E2 177.0731 2.2E2 179.0426 1.6E2 183.1370 2.4E2 197.1246 3.2E2 211.1322 1.3E2 251.1691 1.4E2 251.6388 1.2E2 265.0519 1.0E2 311.0532 1.7E2 313.1654 1.3E2 323.1666 1.4E2 327.2226 1.8E2 338.1438 2.8E2 412.2584 1.8E2 END IONS BEGIN IONS FEATURE_ID=10522 PEPMASS=309.2058 SCANS=10522 RTINSECONDS=2057.149 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0508 1.7E2 83.0510 1.0E2 109.0262 1.8E2 136.9055 1.6E2 137.0958 3.1E2 149.0128 1.1E2 161.0196 1.3E2 171.0977 5.1E2 177.1145 1.2E2 183.1295 3.0E2 195.1363 2.0E2 221.1511 1.2E2 223.9974 2.4E2 235.1652 1.2E2 235.3020 1.1E2 291.1949 4.6E2 292.1955 1.7E2 298.0349 1.5E2 309.1590 2.3E2 309.2077 1.7E2 312.2118 1.5E2 313.2369 1.2E2 END IONS BEGIN IONS FEATURE_ID=10523 PEPMASS=341.2290 SCANS=10523 RTINSECONDS=2057.149 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 69.0342 1.9E2 83.0484 1.1E2 83.2459 1.1E2 119.0801 1.0E2 147.0145 1.1E2 163.0070 1.6E2 171.1064 1.1E2 201.0978 1.3E2 208.0804 1.1E2 271.7938 1.0E2 END IONS BEGIN IONS FEATURE_ID=10529 PEPMASS=440.2979 SCANS=10529 RTINSECONDS=2057.969 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 6 (0 removed due to low quality, 3 removed due to low cosine). 83.0114 1.5E2 87.0480 4.3E2 94.0302 2.3E2 94.8635 1.4E2 116.0706 3.3E2 116.9279 1.9E2 118.0850 1.4E2 127.0543 1.8E2 128.0323 4.0E2 128.1068 2.5E2 130.0866 6.0E3 130.1437 1.8E2 130.1806 1.0E2 130.9655 1.3E2 131.0876 3.6E2 131.0945 2.2E2 133.0472 1.6E2 134.0224 1.0E2 136.0810 1.1E2 170.1167 1.2E2 174.9512 2.1E2 175.1114 1.3E2 180.9680 1.9E2 197.1151 1.2E2 200.1446 1.0E2 206.1596 1.4E2 212.9910 1.0E2 223.1688 1.2E2 235.1899 2.7E2 240.1998 1.3E2 241.0739 1.1E2 241.1927 2.0E2 271.1368 1.4E2 282.1660 2.0E2 290.2448 1.1E2 308.2173 1.3E2 311.2122 3.5E2 326.1014 1.3E2 327.2098 3.3E2 337.0580 1.1E2 337.2151 1.3E2 349.1798 1.2E2 367.1486 1.4E2 378.9711 1.1E2 440.2953 3.2E3 440.5551 2.4E2 440.7580 1.3E2 441.1601 1.6E2 441.2266 1.4E2 441.2961 1.4E3 441.4439 1.2E2 442.3087 8.6E2 443.2073 1.1E2 848.8534 1.2E2 END IONS BEGIN IONS FEATURE_ID=10533 PEPMASS=623.1189 SCANS=10533 RTINSECONDS=2059.818 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.9572 1.3E2 108.0474 1.8E2 111.0858 1.2E2 116.9740 2.1E2 133.0279 2.1E2 135.0484 1.5E2 136.0653 1.3E2 147.0347 1.0E2 151.0363 1.5E2 154.9845 1.3E2 161.0241 5.7E2 161.0737 1.0E2 203.0666 1.8E2 235.5618 1.1E2 261.0626 2.7E2 264.0941 1.6E2 266.0574 1.8E2 311.0555 2.0E2 312.0498 1.8E2 313.0651 2.2E2 328.1001 1.5E2 337.0790 1.1E2 371.0856 2.8E2 381.0801 1.1E2 399.1636 1.2E2 415.0821 1.4E3 416.0775 9.1E2 417.0973 1.1E2 439.0163 1.1E2 441.6001 1.1E2 443.0726 3.2E3 443.2695 1.2E2 444.0797 8.1E2 445.0862 2.5E2 507.1846 1.4E2 625.2752 1.9E2 626.2633 1.1E2 END IONS BEGIN IONS FEATURE_ID=10545 PEPMASS=593.2703 SCANS=10545 RTINSECONDS=2061.427 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 61.9884 1.0E2 79.9560 2.9E2 135.0439 1.1E2 146.9806 1.1E2 149.0972 1.5E2 152.9760 1.0E2 183.0296 2.0E2 197.0416 2.1E2 269.0906 1.2E2 371.1872 1.5E2 399.0910 1.3E2 399.1426 1.1E2 413.1531 1.8E2 413.2321 1.2E2 414.9618 2.3E2 417.2284 1.4E2 435.1165 1.9E2 445.1489 1.1E2 448.1637 1.6E2 461.1891 1.1E2 465.2266 1.1E2 489.3501 1.2E2 491.0974 1.3E2 520.3286 1.5E2 556.1950 1.6E2 560.2277 1.0E2 589.0522 1.2E2 593.2760 1.6E3 593.3638 3.9E2 593.4845 1.7E2 594.2633 4.7E2 594.3398 1.8E2 594.3830 1.5E2 594.5462 1.0E2 595.3023 3.3E2 596.2586 3.0E2 596.3380 1.2E2 756.0367 1.0E2 END IONS BEGIN IONS FEATURE_ID=10547 PEPMASS=533.3286 SCANS=10547 RTINSECONDS=2062.163 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 79.8501 1.1E2 101.0259 1.6E3 102.0287 1.1E2 159.0625 1.4E2 213.8418 1.3E2 218.0879 2.4E2 219.0979 1.9E2 306.9776 1.3E2 331.2503 1.2E2 357.0616 2.6E2 415.2645 4.7E2 416.2731 4.4E2 433.1199 1.7E2 451.2552 1.9E2 465.0942 1.5E2 533.1868 1.1E2 533.3193 2.7E2 534.1781 1.2E2 534.3229 2.2E2 535.3258 5.1E2 536.3353 1.6E2 543.7841 1.2E2 END IONS BEGIN IONS FEATURE_ID=10569 PEPMASS=303.0074 SCANS=10569 RTINSECONDS=2067.772 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.0052 1.3E2 77.0025 2.3E2 86.9775 3.2E2 94.0264 1.5E2 96.9587 3.3E2 98.9662 1.5E2 105.0292 1.0E2 116.9850 2.2E2 117.0331 1.3E3 118.0391 1.6E2 118.3243 1.3E2 119.0141 2.5E2 119.9733 1.4E2 121.0282 1.1E2 140.9664 2.3E2 147.0559 2.1E2 154.0676 1.1E2 167.0517 3.3E2 175.0396 2.1E2 176.0689 1.5E2 184.9621 1.6E2 211.0329 1.0E2 212.0343 1.2E2 232.1017 1.5E2 239.0336 1.6E2 329.3351 1.4E2 404.7126 2.7E2 604.7226 1.1E2 END IONS BEGIN IONS FEATURE_ID=10574 PEPMASS=382.2552 SCANS=10574 RTINSECONDS=2068.884 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 70.0397 1.7E2 83.0162 1.9E2 87.3950 1.1E2 88.0416 5.3E3 88.1116 1.3E2 88.1282 1.5E2 88.1731 1.2E2 89.0481 2.7E2 94.9237 1.4E2 102.0357 1.7E2 109.0711 1.3E2 123.0812 1.6E2 126.9955 1.8E2 133.0312 1.2E2 184.0290 1.0E2 213.0402 1.7E2 221.1121 1.8E2 236.0467 1.3E2 237.0237 1.0E2 243.0282 1.5E2 251.1325 1.2E2 268.1420 1.2E2 275.1915 1.6E2 277.0485 1.5E2 286.1107 1.6E2 295.2052 1.4E2 308.1903 1.1E2 309.2044 2.2E2 311.2197 8.6E2 312.2220 1.1E2 364.1893 1.1E2 382.2574 1.8E3 382.4913 1.3E2 383.1093 1.2E2 383.1598 1.2E2 383.2576 9.3E2 END IONS BEGIN IONS FEATURE_ID=10576 PEPMASS=313.2377 SCANS=10576 RTINSECONDS=2069.695 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 117.0313 1.0E2 118.0283 2.2E2 155.0546 1.3E2 164.9749 1.3E2 165.0086 1.9E2 256.0364 1.1E2 794.2433 1.2E2 END IONS BEGIN IONS FEATURE_ID=10578 PEPMASS=345.2632 SCANS=10578 RTINSECONDS=2069.695 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.9548 2.1E2 103.0516 1.1E2 138.0525 1.3E2 152.0990 1.1E2 158.0325 1.8E2 183.1373 2.1E2 281.8235 1.0E2 299.8932 2.7E2 317.1297 1.1E2 END IONS BEGIN IONS FEATURE_ID=10588 PEPMASS=431.2606 SCANS=10588 RTINSECONDS=2071.464 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 74.9907 2.8E2 102.9553 3.9E2 110.0001 1.6E2 121.0632 1.0E2 123.0831 1.1E2 137.9907 1.9E2 158.9826 1.2E2 161.0353 1.5E2 174.9456 1.1E2 179.0332 1.0E2 205.1451 1.4E2 217.0048 1.2E2 227.0671 1.1E2 259.0898 2.7E2 279.1519 1.0E2 294.8745 1.3E2 311.2238 2.3E2 312.2174 1.9E2 319.1687 1.0E2 345.2531 1.5E2 371.2860 3.3E2 373.2526 1.1E2 397.0945 1.2E2 397.1449 1.6E2 416.2768 1.3E2 433.2150 1.3E2 END IONS BEGIN IONS FEATURE_ID=10599 PEPMASS=421.2323 SCANS=10599 RTINSECONDS=2071.464 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 99.9213 1.8E2 100.9293 1.1E2 130.9666 1.3E2 148.0365 1.1E2 279.0702 1.0E2 291.1471 1.0E2 END IONS BEGIN IONS FEATURE_ID=10601 PEPMASS=580.3256 SCANS=10601 RTINSECONDS=2072.086 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 125.0614 1.2E2 183.0973 1.9E2 185.7134 2.0E2 203.0773 1.1E2 204.0823 1.4E2 217.0588 1.4E2 217.1281 2.7E2 217.1643 1.2E2 223.0408 1.1E2 259.1275 1.5E2 273.1020 1.0E2 295.2264 7.1E2 431.2166 1.0E2 463.0766 1.7E2 497.2925 1.2E2 520.3050 1.5E3 521.3146 8.7E2 522.3117 1.4E2 581.1830 2.4E2 581.3180 2.3E2 582.1700 1.2E2 584.3264 1.2E2 END IONS BEGIN IONS FEATURE_ID=10613 PEPMASS=475.2917 SCANS=10613 RTINSECONDS=2074.023 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0163 2.2E2 85.0297 1.7E2 89.0258 4.4E2 89.0536 1.2E2 91.0594 2.2E2 95.0098 1.4E2 101.0220 1.9E2 118.0295 1.3E2 123.0836 1.3E2 163.0340 1.0E2 165.0736 1.4E2 166.0255 1.6E2 212.1485 1.6E2 227.0868 1.0E2 251.2427 2.3E2 251.7737 1.0E2 260.0300 2.2E2 267.2288 5.5E2 295.2254 2.7E2 296.2151 1.3E2 297.1573 2.0E2 313.2520 1.5E2 331.1163 2.6E2 365.1613 1.2E2 387.0359 1.2E2 388.0939 1.2E2 475.2894 1.5E2 514.0544 1.0E2 583.8677 1.7E2 849.5609 1.8E2 END IONS BEGIN IONS FEATURE_ID=10629 PEPMASS=349.2002 SCANS=10629 RTINSECONDS=2076.951 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 93.0347 2.4E2 121.0284 1.1E2 155.1478 1.2E2 165.0829 1.7E2 171.0952 1.2E2 223.0504 1.0E2 235.2064 1.5E2 237.2245 1.0E2 262.0884 1.1E2 284.1688 2.7E2 303.2068 2.0E2 349.1921 2.0E2 END IONS BEGIN IONS FEATURE_ID=10639 PEPMASS=537.0826 SCANS=10639 RTINSECONDS=2079.177 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 61.9906 1.5E2 85.0340 1.8E2 93.0397 1.9E2 98.9591 1.7E2 107.0132 1.1E2 117.0321 5.6E2 135.0430 4.2E2 151.0067 1.2E2 159.0409 2.0E2 159.0460 4.2E2 161.0194 2.3E2 185.0111 1.4E2 185.0849 1.0E2 194.0440 1.7E2 203.0397 1.3E2 204.9352 1.0E2 208.1290 1.9E2 227.1457 2.1E2 231.0299 1.0E2 248.0420 1.2E2 261.0535 1.2E2 269.1194 1.2E2 295.2234 2.8E2 299.0244 1.7E2 307.0626 6.4E2 307.1069 1.5E2 313.0615 2.0E2 329.0616 2.4E2 331.0615 1.0E3 332.0653 5.6E2 333.0456 5.0E2 334.0436 1.0E2 347.0509 1.6E2 355.0634 1.4E2 357.0218 1.5E2 358.0430 1.0E2 359.0513 1.5E2 374.3083 1.1E2 375.0510 6.1E3 375.1503 2.2E2 375.2268 2.4E2 375.9377 1.3E2 376.0558 1.9E3 377.0495 2.7E2 383.0815 1.2E2 389.0580 1.1E2 399.0553 1.2E3 400.0465 1.4E2 400.0688 2.1E2 401.0346 6.9E2 402.0454 1.5E2 417.0605 1.6E3 417.1748 1.8E2 417.7003 1.2E2 418.0571 6.0E2 419.0672 1.3E2 427.0851 1.9E2 443.0454 1.8E2 443.0587 1.5E2 444.0384 2.5E2 451.0837 1.1E2 470.1028 2.4E2 537.0780 1.1E2 539.1076 1.0E2 772.9042 1.4E2 END IONS BEGIN IONS FEATURE_ID=10668 PEPMASS=529.2991 SCANS=10668 RTINSECONDS=2086.37 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 92.9282 2.6E2 99.0793 1.6E2 99.9244 1.5E2 103.0412 1.5E2 113.0244 1.4E2 121.1037 3.2E2 135.0483 1.6E2 159.0409 1.5E2 208.0873 1.3E2 223.1311 1.6E2 257.1146 1.4E2 275.1976 3.6E2 278.0968 1.4E2 293.2165 2.3E2 337.1943 1.1E2 END IONS BEGIN IONS FEATURE_ID=10670 PEPMASS=580.3234 SCANS=10670 RTINSECONDS=2086.496 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 135.0456 1.4E2 155.0318 1.7E2 158.0396 1.7E2 161.0214 2.6E2 171.1015 1.4E2 179.0329 1.7E2 195.0252 1.6E2 222.1152 1.7E2 277.2089 2.4E2 291.0301 1.4E2 293.0407 1.4E2 295.2253 8.5E2 295.2752 2.1E2 296.2247 2.8E2 310.1598 1.0E2 389.1810 1.1E2 419.1799 1.4E2 421.1405 1.7E2 445.1124 1.2E2 520.3026 2.4E3 521.3072 7.1E2 522.3130 1.6E2 564.1517 1.4E2 580.3544 1.1E2 581.1635 9.5E2 581.2494 4.5E2 581.3211 3.1E2 581.3801 2.1E2 582.2041 3.0E2 582.2917 1.9E2 END IONS BEGIN IONS FEATURE_ID=10684 PEPMASS=565.2765 SCANS=10684 RTINSECONDS=2087.544 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 88.9769 2.6E2 112.1047 1.1E2 113.0424 1.4E2 134.0271 1.2E2 171.0043 1.3E2 180.9930 1.8E2 207.1699 1.6E2 232.0851 1.8E2 255.2354 1.2E2 296.2604 1.1E2 304.0093 1.7E2 317.1472 1.3E2 381.1238 1.1E2 385.0963 2.1E2 566.1532 2.0E2 END IONS BEGIN IONS FEATURE_ID=10698 PEPMASS=313.2386 SCANS=10698 RTINSECONDS=2091.14 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 88.0405 1.3E2 95.9523 1.9E2 100.9352 1.0E2 176.0054 1.9E2 182.0373 1.5E2 550.0894 1.8E2 END IONS BEGIN IONS FEATURE_ID=10706 PEPMASS=343.1668 SCANS=10706 RTINSECONDS=2091.122 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 71.0483 2.7E2 71.0737 1.1E2 72.9957 1.5E2 125.0946 2.2E2 135.0403 1.3E2 END IONS BEGIN IONS FEATURE_ID=10708 PEPMASS=307.1894 SCANS=10708 RTINSECONDS=2091.128 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 14 (2 removed due to low quality, 11 removed due to low cosine). 65.0403 4.9E2 71.0487 1.6E2 79.0625 1.0E2 91.0578 1.3E2 97.0670 1.8E2 105.0695 2.6E2 121.0668 1.9E2 123.0835 1.3E2 126.1041 1.1E2 141.0910 2.3E2 END IONS BEGIN IONS FEATURE_ID=10709 PEPMASS=375.1791 SCANS=10709 RTINSECONDS=2091.122 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (6 removed due to low quality, 1 removed due to low cosine). 65.0402 3.8E2 79.9557 3.4E2 97.0702 1.6E2 98.0674 1.6E2 107.0443 2.2E2 119.0860 1.4E2 121.0691 3.1E2 125.0966 3.7E2 189.1298 3.1E2 206.1629 1.3E2 247.1260 1.0E2 309.2113 1.3E2 333.0695 2.0E2 798.7781 1.8E2 950.7679 2.3E2 END IONS BEGIN IONS FEATURE_ID=10738 PEPMASS=287.1856 SCANS=10738 RTINSECONDS=2098.179 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (6 removed due to low quality, 0 removed due to low cosine). 207.1693 2.0E2 225.1836 7.4E2 226.1886 1.7E2 226.2267 1.0E2 241.1782 1.5E3 242.1791 3.5E2 269.1994 2.0E2 287.1892 1.3E3 288.1911 3.3E2 END IONS BEGIN IONS FEATURE_ID=10741 PEPMASS=369.2238 SCANS=10741 RTINSECONDS=2099.164 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 65.9999 1.8E2 69.0354 1.5E2 79.9541 1.6E2 83.9349 1.9E2 111.0811 1.8E2 112.0903 1.8E2 176.0315 1.4E2 183.1351 4.3E2 211.1347 3.7E2 323.1031 2.1E2 326.1197 1.1E2 958.4733 1.3E2 END IONS BEGIN IONS FEATURE_ID=10744 PEPMASS=311.2206 SCANS=10744 RTINSECONDS=2099.78 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9940 1.9E2 81.0346 1.0E2 82.0678 2.6E2 99.0862 2.5E2 111.0762 1.2E2 112.0118 2.0E2 113.0591 1.7E2 113.0938 1.8E2 121.0962 2.2E2 127.1145 1.4E2 130.9643 6.6E2 135.1142 2.6E2 139.1108 3.8E2 145.0447 1.5E2 155.1074 4.5E2 156.1243 1.0E2 159.0952 1.7E2 171.1003 2.8E2 172.0970 1.5E2 174.9567 3.3E2 176.9621 1.4E2 181.1214 5.5E2 191.1033 1.6E2 191.4640 1.2E2 203.0702 3.0E2 210.0823 1.8E2 211.8203 1.5E2 277.2375 1.4E2 284.0211 2.1E2 293.2127 7.8E2 295.2247 2.7E2 296.1176 2.1E2 311.2226 5.2E2 313.0354 1.7E2 313.1195 1.2E2 313.2402 3.6E3 313.3249 2.6E2 313.4043 1.6E2 314.2336 4.1E2 END IONS BEGIN IONS FEATURE_ID=10750 PEPMASS=271.1537 SCANS=10750 RTINSECONDS=2101.634 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0494 1.1E2 83.0913 1.6E2 127.0765 5.1E2 211.1693 1.0E2 END IONS BEGIN IONS FEATURE_ID=10755 PEPMASS=187.1331 SCANS=10755 RTINSECONDS=2102.426 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 141.1282 8.6E2 142.1295 3.5E2 142.8955 1.3E2 187.1293 1.8E2 END IONS BEGIN IONS FEATURE_ID=10777 PEPMASS=243.1591 SCANS=10777 RTINSECONDS=2105.165 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 130.9644 8.4E2 148.5081 1.6E2 153.1273 1.7E2 174.9489 1.2E2 181.1562 8.4E2 199.1656 2.0E2 204.5254 1.3E2 225.1477 8.9E2 225.1930 2.0E2 226.1531 2.4E2 243.1562 4.8E2 518.8067 1.1E2 END IONS BEGIN IONS FEATURE_ID=10778 PEPMASS=309.2052 SCANS=10778 RTINSECONDS=2105.774 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0489 1.2E2 74.0295 1.2E2 80.0264 2.0E2 83.0599 1.3E2 END IONS BEGIN IONS FEATURE_ID=10779 PEPMASS=345.1810 SCANS=10779 RTINSECONDS=2105.774 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 87.0407 1.1E2 115.0333 2.0E2 161.0192 1.8E2 164.9255 1.1E2 171.0981 3.2E2 193.0397 1.4E2 203.1034 1.4E2 221.1493 3.4E2 222.1531 1.4E2 227.1044 1.8E2 230.1934 1.2E2 251.1613 1.5E2 260.0755 1.2E2 291.1998 1.0E2 309.2082 1.5E2 345.2696 1.4E2 347.2437 1.1E2 393.4504 1.4E2 END IONS BEGIN IONS FEATURE_ID=10793 PEPMASS=309.1748 SCANS=10793 RTINSECONDS=2107.887 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.9982 1.5E2 73.0304 2.0E2 95.0096 2.6E2 99.0100 6.2E2 99.0787 1.3E2 116.9250 1.2E2 122.0305 1.2E2 123.0415 1.0E2 130.9634 3.2E2 137.0645 2.4E2 137.0897 1.3E2 189.0902 1.7E2 209.1557 2.7E2 END IONS BEGIN IONS FEATURE_ID=10796 PEPMASS=341.2309 SCANS=10796 RTINSECONDS=2108.271 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 87.0463 1.4E2 130.0882 1.4E2 179.1321 1.2E2 END IONS BEGIN IONS FEATURE_ID=10797 PEPMASS=377.1942 SCANS=10797 RTINSECONDS=2108.271 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0548 1.8E2 87.0448 3.2E2 91.0567 2.2E2 97.0665 3.5E2 119.8483 1.3E2 130.9646 1.0E2 243.1321 1.2E2 285.9756 2.3E2 END IONS BEGIN IONS FEATURE_ID=10807 PEPMASS=707.1527 SCANS=10807 RTINSECONDS=2109.47 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 147.8020 1.0E2 161.0598 1.6E2 177.0144 1.5E2 179.0333 1.1E2 260.0563 1.5E2 362.0150 1.2E2 367.2485 1.2E2 475.0969 1.5E2 475.2053 1.6E2 490.1048 1.6E3 490.2405 2.1E2 491.1065 5.3E2 491.1637 2.2E2 492.4518 1.3E2 508.1195 6.0E2 509.1153 5.6E2 581.7736 1.4E2 671.1771 2.6E3 671.4075 1.7E2 671.4759 1.2E2 671.7753 1.0E2 672.1794 1.7E3 672.2721 2.3E2 672.3784 1.4E2 673.1710 5.9E2 673.3448 1.5E2 673.7915 1.2E2 674.1557 1.4E2 677.2670 1.1E2 678.9984 1.1E2 707.2014 1.2E2 707.3837 3.3E2 708.2571 1.2E2 709.4033 2.7E2 709.4880 1.4E2 710.1498 1.4E2 711.2970 2.2E2 END IONS BEGIN IONS FEATURE_ID=10814 PEPMASS=695.3797 SCANS=10814 RTINSECONDS=2110.77 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 91.0375 1.1E2 103.0063 1.3E2 114.0318 1.1E2 171.0993 1.6E2 172.0921 1.3E2 235.0426 1.4E2 235.0752 1.3E2 297.2414 1.4E3 299.2284 1.1E2 340.5784 1.7E2 379.0122 1.1E2 397.1325 8.5E2 398.1449 1.5E2 401.0803 1.5E2 415.1433 1.9E2 416.1535 1.8E2 425.1585 1.5E2 551.2585 1.0E2 576.2758 1.5E2 594.2776 1.1E2 612.2961 1.5E2 629.2603 1.8E2 630.3203 1.6E2 695.3729 4.8E2 696.2800 2.6E2 696.3734 1.7E2 697.2729 1.5E2 697.4500 1.5E2 699.2994 2.3E2 END IONS BEGIN IONS FEATURE_ID=10815 PEPMASS=271.1542 SCANS=10815 RTINSECONDS=2111.882 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 60.4359 1.1E2 197.0207 1.6E2 581.9174 1.1E2 641.7820 1.1E2 END IONS BEGIN IONS FEATURE_ID=10817 PEPMASS=673.3218 SCANS=10817 RTINSECONDS=2111.882 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 71.2638 1.1E2 72.9924 1.6E2 117.0390 1.5E2 135.0454 1.8E3 151.0432 1.7E2 161.0214 1.9E3 161.0799 1.3E2 161.1380 1.1E2 162.0222 1.7E2 179.0361 4.1E3 180.0335 7.2E2 180.0753 1.4E2 180.1619 1.3E2 197.0428 7.4E2 268.1514 1.1E2 289.1359 1.4E2 341.0668 2.5E2 438.1692 1.3E2 475.2464 1.1E2 495.2428 1.1E2 511.2952 6.0E2 674.3044 1.5E2 END IONS BEGIN IONS FEATURE_ID=10818 PEPMASS=674.3253 SCANS=10818 RTINSECONDS=2111.882 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.9946 2.1E2 98.9789 1.5E2 135.0447 1.7E2 136.0503 1.1E2 157.0335 1.7E2 179.0372 4.2E2 180.0377 1.8E2 191.0540 2.6E2 197.0514 1.3E2 341.0472 1.2E2 433.9651 1.4E2 511.2954 1.5E2 512.3081 2.6E2 515.1889 1.1E2 674.3196 2.0E3 674.4772 1.6E2 675.3247 7.4E2 676.3142 2.0E2 677.4203 1.0E2 END IONS BEGIN IONS FEATURE_ID=10822 PEPMASS=491.2412 SCANS=10822 RTINSECONDS=2113.392 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0254 1.7E2 140.9756 1.0E2 161.0182 1.3E2 168.9856 1.1E2 192.0612 1.9E2 233.1143 1.5E2 287.0822 1.0E2 293.2020 6.4E2 294.2073 1.7E2 295.0779 1.5E2 297.2360 2.0E2 317.1943 1.5E2 319.0693 1.4E2 358.1268 1.1E2 381.1534 2.3E2 421.2002 1.2E2 477.1931 1.9E2 491.3247 2.7E2 492.1698 1.5E2 492.2497 2.5E2 493.2020 2.6E2 493.2705 2.9E2 493.3569 1.4E2 494.2797 2.2E2 495.2466 1.0E2 END IONS BEGIN IONS FEATURE_ID=10832 PEPMASS=356.2423 SCANS=10832 RTINSECONDS=2116.021 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 112.0762 1.3E2 143.0692 1.5E2 157.1172 2.0E2 183.9803 1.4E2 229.1014 1.1E2 250.1516 2.0E2 299.1213 1.3E2 END IONS BEGIN IONS FEATURE_ID=10833 PEPMASS=325.2019 SCANS=10833 RTINSECONDS=2116.069 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.0662 2.6E2 101.0564 1.8E2 101.0837 1.1E2 116.9281 1.3E2 123.0380 1.5E2 123.0768 1.7E2 137.0991 3.2E2 149.1227 1.1E2 153.0843 1.2E2 167.6380 1.0E2 263.2071 2.7E2 279.0982 1.1E2 END IONS BEGIN IONS FEATURE_ID=10844 PEPMASS=309.2047 SCANS=10844 RTINSECONDS=2118.526 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0531 1.4E2 87.0451 2.1E2 122.0330 1.5E2 124.0494 1.1E2 133.0983 1.9E2 137.0900 1.5E2 139.0760 2.1E2 141.0907 4.8E2 141.1317 1.0E2 142.0939 1.1E2 143.1055 1.2E2 171.1034 1.5E2 174.9511 1.3E2 183.0928 1.7E2 195.1340 1.3E2 208.1741 2.4E2 219.1656 1.2E2 222.1822 1.5E2 223.1687 6.1E2 224.1615 1.3E2 251.1618 1.8E2 267.1917 5.5E2 275.1569 1.3E2 291.1965 1.8E2 293.1700 7.4E2 309.1979 2.9E2 311.2258 3.6E2 312.1640 1.1E2 313.2514 1.5E2 END IONS BEGIN IONS FEATURE_ID=10855 PEPMASS=529.3002 SCANS=10855 RTINSECONDS=2119.166 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 78.9608 1.8E2 101.0240 2.2E3 127.0683 1.4E2 132.0442 1.1E2 161.0912 1.5E2 197.1189 1.2E2 203.1244 1.7E2 219.0904 1.4E2 287.1376 1.4E2 295.2409 1.4E2 334.1340 1.5E2 END IONS BEGIN IONS FEATURE_ID=10879 PEPMASS=861.4461 SCANS=10879 RTINSECONDS=2124.249 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9968 1.4E2 89.0290 1.4E2 101.0202 1.3E2 125.1059 2.9E2 136.0483 1.4E2 162.0271 1.0E2 169.0886 1.3E2 179.0496 1.2E2 179.1333 1.6E2 180.0338 1.9E2 187.0955 1.2E3 195.1363 1.3E2 229.0076 1.3E2 236.0921 2.2E2 243.1308 1.1E2 245.1385 1.2E2 275.2109 1.1E2 293.2131 1.4E2 294.2075 1.6E2 321.0266 1.7E2 333.1575 1.2E2 335.1003 1.4E2 339.2091 1.6E2 407.0431 1.1E2 415.1466 4.8E2 435.0660 1.4E2 552.1857 1.7E2 569.2280 1.0E2 585.2419 5.7E2 696.3750 2.2E2 751.3601 1.2E2 843.4463 2.2E2 843.5073 1.3E2 854.1710 1.4E2 861.4463 1.4E3 862.4448 1.1E3 862.5619 2.5E2 862.7226 1.0E2 863.4391 4.5E2 863.5211 1.5E2 864.2587 1.5E2 END IONS BEGIN IONS FEATURE_ID=10889 PEPMASS=582.3412 SCANS=10889 RTINSECONDS=2126.854 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 78.9587 2.0E2 78.9636 1.4E2 88.0399 1.7E2 89.0230 1.9E2 113.0049 1.5E2 128.0488 1.1E2 152.9941 5.5E2 155.1053 8.2E2 164.9218 1.4E2 168.0413 4.1E2 171.0971 1.6E2 184.0248 1.6E2 224.0669 6.9E2 225.0707 2.5E2 256.0548 1.1E2 279.2265 2.5E2 279.2374 3.9E2 283.1647 1.6E2 295.2251 1.2E2 297.2424 7.5E3 297.3172 3.3E2 297.3295 2.3E2 297.3645 2.2E2 297.4019 2.7E2 297.4445 1.0E2 297.4535 1.0E2 298.2469 1.5E3 298.3120 1.1E2 312.0967 1.4E2 346.1269 1.3E2 347.1465 1.1E2 373.0736 1.1E2 495.9864 2.1E2 507.2570 1.5E2 522.3429 1.1E2 523.3186 1.1E2 525.2251 1.7E2 533.0823 1.1E2 635.9531 1.3E2 774.6837 1.7E2 END IONS BEGIN IONS FEATURE_ID=10890 PEPMASS=311.1878 SCANS=10890 RTINSECONDS=2125.552 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 8 (0 removed due to low quality, 4 removed due to low cosine). 60.0147 1.5E2 71.0161 1.5E2 72.9961 1.4E2 79.9577 2.6E2 125.0963 2.7E2 126.0206 1.0E2 130.9683 1.5E2 133.0301 1.2E2 141.1290 1.2E2 161.0264 1.0E2 167.1296 2.3E2 169.1211 1.6E2 174.9456 1.5E2 176.9565 2.0E2 215.1217 1.0E2 223.8619 1.5E2 249.1794 7.0E2 249.1850 3.0E2 249.2108 1.7E2 252.0423 1.1E2 267.1945 9.4E3 267.2402 3.1E2 268.2003 1.8E3 270.1979 1.8E2 271.5865 1.1E2 275.1605 6.5E2 275.1989 2.1E2 276.1679 1.3E2 277.1579 1.1E2 293.1760 1.5E3 293.1819 1.2E3 294.1777 2.8E2 294.1866 5.3E2 294.2045 1.3E2 294.9544 1.2E2 311.2067 2.6E2 311.2213 1.5E3 312.2190 1.7E2 313.2229 1.0E2 313.2300 1.0E3 314.0712 1.6E2 315.1168 1.4E2 315.1611 1.8E2 END IONS BEGIN IONS FEATURE_ID=10916 PEPMASS=323.1863 SCANS=10916 RTINSECONDS=2129.201 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0293 1.8E2 97.0628 2.0E2 109.0633 1.1E2 125.0919 1.2E2 129.0555 1.7E2 139.0683 2.2E2 151.0794 1.1E2 162.1000 1.3E2 193.0778 2.0E2 195.1352 2.1E2 203.1750 1.3E2 209.1530 2.0E2 235.1529 1.4E2 247.1797 2.1E2 266.0995 2.2E2 291.1614 2.0E2 306.2114 2.2E2 323.1875 1.3E3 324.1911 4.0E2 325.0414 1.8E2 325.2007 2.4E2 328.0996 1.8E2 970.5651 1.0E2 993.7452 1.1E2 END IONS BEGIN IONS FEATURE_ID=10929 PEPMASS=491.2411 SCANS=10929 RTINSECONDS=2133.797 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.0061 1.4E2 108.0482 1.9E2 108.9691 2.7E2 112.9365 1.0E2 124.0352 1.0E2 125.0944 2.0E2 130.9584 1.6E2 135.0940 1.1E2 140.0261 2.0E2 145.0252 1.3E2 161.0196 2.6E2 163.0312 1.1E2 165.7863 1.2E2 166.0456 2.4E2 196.0649 1.1E2 225.1511 1.2E2 232.0735 1.4E2 263.9947 1.0E2 293.2170 1.2E2 296.9663 1.1E2 315.3276 1.1E2 492.2336 1.5E2 945.7380 1.2E2 END IONS BEGIN IONS FEATURE_ID=10941 PEPMASS=476.3198 SCANS=10941 RTINSECONDS=2136.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 70.0386 2.4E2 96.0205 1.0E2 116.0668 1.5E2 124.0770 2.0E2 223.2100 1.2E2 253.2150 3.8E2 254.2063 1.6E2 338.2450 1.2E2 433.0855 1.7E2 440.2917 1.5E2 441.2958 1.2E2 458.3160 4.3E2 459.3086 3.7E2 476.3219 1.1E3 476.4166 1.4E2 477.3229 3.3E2 478.3067 1.2E2 479.2750 2.6E2 479.3486 1.1E2 END IONS BEGIN IONS FEATURE_ID=10947 PEPMASS=669.2902 SCANS=10947 RTINSECONDS=2136.467 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 72.9978 1.3E2 117.0650 2.1E2 123.0463 1.5E2 134.0326 3.4E2 135.0415 2.0E3 135.1469 1.0E2 137.0653 1.1E2 144.0400 1.0E2 161.0256 1.1E3 162.0238 1.6E2 177.0201 1.9E2 179.0327 3.0E3 179.1527 1.2E2 180.0416 4.6E2 184.2332 1.0E2 187.0848 1.0E2 197.0424 1.6E3 199.1334 1.6E2 206.0477 1.4E2 218.0852 1.2E2 218.9996 1.2E2 246.1517 1.1E2 255.2256 1.6E2 311.1497 1.2E2 320.0440 1.5E2 327.2177 1.8E2 328.2249 1.2E2 341.0607 4.4E2 359.0836 1.0E2 477.2077 1.0E2 490.1014 4.1E2 491.1295 1.4E2 507.2584 1.4E2 508.2606 2.1E2 509.2957 1.0E2 657.2304 1.4E2 671.2918 2.1E2 END IONS BEGIN IONS FEATURE_ID=10952 PEPMASS=387.2377 SCANS=10952 RTINSECONDS=2138.737 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.3679 1.1E2 161.6220 1.9E2 171.0937 1.5E2 183.9778 1.0E2 187.0914 2.7E2 213.0975 1.1E2 236.1011 1.2E2 241.3587 1.3E2 258.1669 1.0E2 298.1999 1.0E2 311.1498 1.2E2 319.1496 1.2E2 323.2189 1.1E2 END IONS BEGIN IONS FEATURE_ID=10959 PEPMASS=293.1748 SCANS=10959 RTINSECONDS=2139.076 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 32 (0 removed due to low quality, 31 removed due to low cosine). 136.0524 1.2E2 148.0487 7.9E2 148.1033 1.1E2 162.0553 1.4E2 164.0827 1.5E2 177.0868 8.8E2 177.1264 1.7E2 178.0903 1.2E2 191.1145 1.3E2 192.1114 2.5E2 205.1235 2.2E3 206.1242 3.6E2 217.0790 1.9E2 220.1458 9.7E2 220.3426 1.1E2 221.1514 2.1E3 221.2872 1.1E2 222.1582 6.3E2 222.1986 1.3E2 236.1051 1.2E2 END IONS BEGIN IONS FEATURE_ID=10960 PEPMASS=351.1354 SCANS=10960 RTINSECONDS=2139.563 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0147 1.6E2 74.9667 1.2E2 96.9643 1.7E2 132.9193 1.5E2 164.0874 1.9E2 190.0947 1.4E2 192.1117 1.9E2 218.0951 4.3E2 220.1488 8.1E2 220.2307 1.1E2 221.1567 1.3E3 221.2526 1.3E2 221.5738 1.4E2 222.1569 3.6E2 230.0209 1.5E2 END IONS BEGIN IONS FEATURE_ID=10961 PEPMASS=361.1638 SCANS=10961 RTINSECONDS=2139.076 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 16 (0 removed due to low quality, 13 removed due to low cosine). 69.0346 1.7E2 71.0130 1.8E2 96.9599 1.5E2 103.0529 2.3E2 123.0814 1.1E2 148.0436 1.8E2 164.0817 1.7E2 177.0860 2.0E2 177.0902 3.0E2 178.0902 1.6E2 192.1111 4.8E2 199.0609 1.8E2 201.0502 1.5E2 205.1154 3.3E2 205.1250 1.9E2 209.1569 1.3E2 218.0956 3.5E2 220.1454 3.4E3 220.1977 1.5E2 221.1527 6.0E3 221.2542 1.3E2 222.1533 7.3E2 222.1722 1.2E2 231.0920 1.6E2 233.0696 1.4E2 236.1033 6.0E2 237.1078 2.1E2 291.1298 1.2E2 316.0800 1.9E2 326.9020 2.6E2 346.0348 1.8E2 END IONS BEGIN IONS FEATURE_ID=10969 PEPMASS=609.3407 SCANS=10969 RTINSECONDS=2139.563 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0150 1.1E2 79.0590 1.9E2 143.0668 2.4E2 153.0000 1.2E2 174.0892 1.1E2 211.1330 1.5E2 220.1469 1.2E3 220.2087 1.5E2 221.1531 2.1E3 221.2314 2.4E2 221.2822 1.2E2 222.1559 4.6E2 236.1044 2.8E3 236.1771 1.8E2 236.2188 1.3E2 236.2550 1.1E2 237.1086 3.9E2 275.1739 2.3E2 293.1795 2.5E2 295.2260 4.7E2 325.0798 1.0E2 393.2515 1.3E2 429.0993 1.7E2 609.2928 2.0E2 END IONS BEGIN IONS FEATURE_ID=10971 PEPMASS=236.1043 SCANS=10971 RTINSECONDS=2139.246 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 113.7704 2.1E2 136.0477 1.4E2 148.0514 7.2E2 176.0767 1.3E2 177.0847 1.0E2 END IONS BEGIN IONS FEATURE_ID=11010 PEPMASS=837.4107 SCANS=11010 RTINSECONDS=2146.11 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (0 removed due to low quality, 6 removed due to low cosine). 71.0140 1.8E2 87.0092 1.3E2 89.0242 1.8E3 99.0442 4.0E2 101.0237 4.6E2 107.0297 1.2E2 113.0234 4.4E2 115.0381 1.6E2 119.0366 3.0E2 125.0231 2.4E2 133.0287 2.6E2 143.0342 4.4E2 157.0505 1.6E2 161.0428 3.2E2 179.0570 6.5E2 215.3968 1.2E2 221.0682 2.3E2 235.0810 2.8E2 245.0644 1.5E2 253.0860 1.1E2 277.2331 2.1E2 278.0967 1.1E2 278.2200 2.9E2 379.1183 1.8E2 397.1386 3.4E2 415.1654 2.4E2 416.1417 1.3E2 425.5135 1.1E2 426.1426 1.6E2 559.1905 5.6E2 560.2084 1.2E2 561.1989 1.6E2 577.1182 1.1E2 577.1971 8.1E2 578.2121 1.3E2 639.1723 1.3E2 838.4608 1.2E2 END IONS BEGIN IONS FEATURE_ID=11011 PEPMASS=873.3879 SCANS=11011 RTINSECONDS=2146.11 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 71.0136 1.1E2 89.0255 5.9E2 101.0258 3.4E2 108.0403 1.0E2 119.0364 1.9E2 125.0218 4.0E2 125.0589 1.0E2 161.0469 2.5E2 167.0277 1.7E2 179.0579 2.0E2 221.1530 1.4E2 236.1052 2.2E2 253.0980 1.4E2 271.1230 1.1E2 277.2277 1.4E2 319.2251 1.0E2 367.0925 1.2E2 379.1279 1.9E2 383.1185 1.2E2 397.1482 2.1E2 406.0782 1.2E2 415.1643 2.2E2 449.1302 1.1E2 559.1914 1.8E3 560.1951 6.3E2 560.2613 1.3E2 560.9711 1.1E2 577.2042 6.6E2 599.2563 1.4E2 684.2224 1.2E2 873.4244 1.1E2 876.4891 1.3E2 END IONS BEGIN IONS FEATURE_ID=11022 PEPMASS=377.1990 SCANS=11022 RTINSECONDS=2148.225 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0126 1.8E2 73.0255 1.8E2 74.0233 3.6E2 74.0470 1.3E2 75.0111 1.1E2 87.0498 1.0E2 130.9788 1.2E2 135.1146 1.3E2 162.0271 1.6E2 182.0431 1.3E2 221.1591 1.0E2 223.1753 2.9E2 246.1726 2.2E2 277.1519 1.9E2 313.2567 1.9E2 370.9960 1.1E2 377.2717 1.6E2 END IONS BEGIN IONS FEATURE_ID=11028 PEPMASS=723.1692 SCANS=11028 RTINSECONDS=2148.605 CHARGE=1- MSLEVEL=2 MERGED_STATS=5 / 6 (0 removed due to low quality, 1 removed due to low cosine). 117.0308 2.6E2 119.0506 4.0E2 131.0525 1.7E2 131.0772 1.4E2 134.4602 1.0E2 134.8935 2.3E2 135.0455 3.1E2 138.1013 1.1E2 143.0308 1.5E2 145.0276 4.9E3 145.0863 1.6E2 145.1367 1.0E2 146.0286 2.4E2 146.0328 1.9E2 151.0712 1.2E2 156.9007 1.8E2 159.6286 2.4E2 163.0387 7.9E2 164.0436 1.2E2 179.0414 1.1E2 187.0364 1.0E2 205.0542 2.2E2 229.0295 3.2E2 229.0443 4.4E2 235.0482 1.2E2 235.0597 1.3E2 243.0254 1.6E2 245.1143 1.5E2 266.6238 1.1E2 267.1983 1.1E2 268.0317 1.6E2 269.0427 1.1E4 269.1100 1.4E2 269.1272 3.8E2 269.1935 2.1E2 270.0475 2.1E3 270.1933 1.2E2 271.0589 2.7E2 271.0897 1.2E2 283.3024 1.0E2 287.1915 1.0E2 289.0680 1.1E2 293.2110 2.3E2 297.2059 1.2E2 300.0813 1.3E2 302.1610 1.4E2 307.0731 1.4E2 311.7760 1.2E2 323.0815 2.2E2 335.0603 1.0E2 337.0377 1.8E2 353.0684 1.2E2 358.0634 2.6E2 362.0629 1.9E2 362.1236 1.3E2 398.2132 2.2E2 427.1172 1.0E2 434.1661 1.7E2 445.1248 1.7E2 453.1038 5.7E2 453.1216 4.0E2 453.1775 1.3E2 454.1213 3.3E2 476.0878 1.1E2 489.1092 1.3E2 502.0897 1.1E2 519.1959 2.3E2 527.0027 1.2E2 529.3100 1.6E2 559.1287 1.2E3 560.1284 3.3E2 577.1106 1.7E2 577.1471 2.3E2 578.1201 2.4E2 578.1368 1.7E2 583.2141 1.7E2 663.3393 1.6E2 678.2386 1.2E2 681.1624 1.6E2 685.5754 1.7E2 687.2573 1.8E2 687.3854 1.1E2 723.1674 7.1E3 723.3211 2.1E2 723.4028 3.0E2 723.4752 1.0E2 723.5990 1.2E2 723.7294 1.2E2 724.1742 4.0E3 724.3534 1.3E2 724.3806 2.8E2 724.4488 4.0E2 725.1630 7.4E2 725.1804 7.8E2 725.2976 1.3E2 725.3452 4.0E2 725.4029 3.9E2 725.4392 2.3E2 725.5674 1.3E2 726.1775 1.5E2 726.3220 1.9E2 726.3909 2.7E2 726.4689 1.2E2 727.1975 1.5E2 727.3955 1.5E2 727.4196 1.7E2 884.1916 1.1E2 END IONS BEGIN IONS FEATURE_ID=11029 PEPMASS=759.1458 SCANS=11029 RTINSECONDS=2148.605 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 60.9849 1.1E2 105.0290 1.4E2 151.0369 1.0E2 229.0539 2.6E2 236.0944 1.2E2 269.0445 7.5E2 354.0570 1.5E2 427.1982 1.8E2 453.1206 1.2E2 477.2061 1.2E2 623.2945 1.4E2 723.1742 4.1E3 723.4193 2.1E2 723.7856 1.0E2 724.1748 1.7E3 724.3607 1.1E2 725.1690 7.7E2 759.3665 1.7E2 759.7724 1.6E2 760.4378 1.8E2 761.4721 2.5E2 762.4538 2.1E2 END IONS BEGIN IONS FEATURE_ID=11032 PEPMASS=309.2052 SCANS=11032 RTINSECONDS=2149.583 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0449 1.1E2 174.3540 1.2E2 END IONS BEGIN IONS FEATURE_ID=11035 PEPMASS=311.2218 SCANS=11035 RTINSECONDS=2150.346 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0527 2.2E2 147.1153 1.3E2 END IONS BEGIN IONS FEATURE_ID=11045 PEPMASS=483.2361 SCANS=11045 RTINSECONDS=2150.12 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9603 3.5E2 92.9245 1.2E2 137.0204 2.3E2 152.9930 9.9E2 154.9966 1.0E2 171.0035 2.1E2 181.1237 2.5E2 186.0753 1.4E2 187.1011 2.8E2 189.6664 1.2E2 212.0880 1.2E2 215.0694 1.5E2 247.1425 1.0E2 325.1968 2.7E2 351.1264 1.8E2 423.2489 1.7E2 439.1333 2.0E2 483.2362 1.0E3 483.3308 2.7E2 484.2438 7.4E2 484.3686 1.7E2 484.4432 1.2E2 485.2084 1.5E2 485.3069 1.5E2 486.2440 1.3E2 487.3610 1.1E2 END IONS BEGIN IONS FEATURE_ID=11074 PEPMASS=580.3243 SCANS=11074 RTINSECONDS=2157.957 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 98.0205 1.5E2 121.0272 1.2E2 192.9198 1.1E2 203.1335 1.1E2 208.1685 1.2E2 218.9817 1.0E2 295.2316 3.0E2 296.2307 2.2E2 361.1393 1.1E2 385.1854 1.3E2 401.0828 1.7E2 431.1114 1.0E2 520.3032 1.3E3 521.2965 4.0E2 521.4829 1.8E2 534.3232 2.7E2 537.3350 1.5E2 563.3570 1.7E2 580.3006 2.0E2 581.2230 1.6E2 581.3049 1.9E2 583.2870 1.5E2 718.9281 1.4E2 END IONS BEGIN IONS FEATURE_ID=11085 PEPMASS=669.2909 SCANS=11085 RTINSECONDS=2158.358 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 83.0167 1.6E2 87.0151 1.7E2 101.0237 2.8E2 135.0409 2.0E2 153.7227 2.7E2 161.0241 6.8E2 162.0238 1.4E2 176.0344 1.3E2 179.0368 5.1E2 179.0864 1.0E2 180.0313 2.0E2 193.0455 2.7E2 197.0448 3.7E2 200.0656 1.3E2 270.6535 1.6E2 301.2062 1.0E2 341.0654 3.9E2 342.0629 1.1E2 366.1677 1.5E2 433.2369 1.1E2 446.1094 1.6E2 474.2550 1.6E2 489.2504 1.2E2 491.1502 1.1E2 504.2382 1.8E2 507.2527 2.5E2 507.3398 1.1E2 508.2662 1.5E2 509.2831 3.9E2 540.9597 1.1E2 581.2862 2.1E2 669.2993 1.0E3 669.4081 2.5E2 669.4758 1.1E2 669.9709 1.1E2 670.1183 1.9E2 670.2959 5.5E2 670.4382 1.8E2 671.3108 2.7E3 671.4264 6.8E2 671.5492 2.2E2 672.3146 1.0E3 672.3975 1.9E2 672.5637 1.2E2 673.2496 1.7E2 683.6477 1.3E2 END IONS BEGIN IONS FEATURE_ID=11118 PEPMASS=311.2205 SCANS=11118 RTINSECONDS=2161.588 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 70.2021 1.6E2 155.1038 1.0E2 726.5652 1.1E2 END IONS BEGIN IONS FEATURE_ID=11119 PEPMASS=379.2082 SCANS=11119 RTINSECONDS=2162.534 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0499 1.6E2 78.9594 1.1E2 87.0442 3.5E2 135.0794 1.4E2 218.1198 1.6E2 223.1725 3.6E2 224.1882 1.0E2 241.1116 3.1E2 253.1761 1.4E2 313.1669 1.1E2 END IONS BEGIN IONS FEATURE_ID=11120 PEPMASS=543.2798 SCANS=11120 RTINSECONDS=2162.534 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0121 1.4E2 83.0559 1.2E2 87.0092 2.4E2 99.0093 4.0E2 108.0442 1.2E2 111.0168 2.2E2 112.0385 2.5E2 113.0261 1.8E2 115.0022 1.7E2 158.0656 1.6E2 172.0513 1.1E2 172.8900 2.6E2 183.1067 1.5E2 211.1183 1.3E2 235.0687 1.1E2 249.0664 1.3E2 262.0405 1.1E2 273.1991 1.1E2 293.2011 1.0E2 294.2167 1.4E2 307.1014 1.1E2 409.2626 1.3E2 439.3028 1.4E2 END IONS BEGIN IONS FEATURE_ID=11121 PEPMASS=305.1742 SCANS=11121 RTINSECONDS=2161.943 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (2 removed due to low quality, 3 removed due to low cosine). 71.0475 2.6E2 72.0585 2.5E2 79.0578 1.1E2 80.0581 2.2E2 120.0560 2.0E2 135.0894 1.1E2 175.0341 1.5E2 189.1203 2.4E2 204.0401 1.4E2 309.1502 1.2E2 END IONS BEGIN IONS FEATURE_ID=11131 PEPMASS=645.4295 SCANS=11131 RTINSECONDS=2162.534 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 119.0350 1.4E2 245.1407 1.1E2 246.1487 1.8E2 311.2181 6.8E2 333.2049 9.0E2 334.2011 2.2E2 351.0586 1.4E2 534.1804 1.7E2 645.4314 6.6E2 646.4387 4.0E2 647.3853 2.3E2 648.3858 1.2E2 649.3154 2.2E2 END IONS BEGIN IONS FEATURE_ID=11162 PEPMASS=309.2020 SCANS=11162 RTINSECONDS=2167.052 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 73.0327 1.7E2 83.0513 2.4E2 85.0303 3.4E2 87.0462 1.1E3 101.0640 1.9E2 107.0833 1.1E2 111.0439 1.4E2 113.0941 5.3E2 114.1023 2.5E2 115.0755 1.5E2 118.9883 1.1E2 121.1054 2.2E2 125.1010 1.4E2 127.0751 4.3E2 127.1098 4.3E2 128.0833 1.2E2 129.0880 2.1E2 143.1005 1.2E2 152.0830 1.6E2 153.1200 2.6E2 155.1047 5.6E2 155.1414 1.1E2 155.4611 2.8E2 157.1189 1.8E2 162.0960 1.9E2 165.0835 1.0E2 167.1088 1.5E2 171.0996 1.0E3 172.0998 2.6E2 179.1400 1.8E2 180.0727 2.3E2 181.1230 5.3E2 183.1362 2.3E3 183.2604 1.0E2 184.1026 2.6E2 184.1418 1.7E2 184.5088 1.1E2 185.1149 2.0E2 190.0968 6.6E2 191.1481 1.2E2 193.1191 3.1E2 195.1324 1.6E2 199.1273 1.4E2 201.1115 6.1E3 201.6751 1.2E2 202.1128 6.7E2 208.1016 1.2E2 209.1574 2.9E2 211.1277 2.5E2 213.1474 7.6E2 214.1570 1.1E2 219.1779 3.2E2 221.1568 2.3E2 223.1689 4.5E3 223.2956 2.1E2 224.1671 5.9E2 224.2101 3.8E2 231.2104 1.5E2 235.1658 1.4E3 235.2405 1.2E2 237.1757 1.2E2 239.1515 1.5E2 241.1424 5.3E2 249.2247 1.2E2 275.1972 9.9E2 276.2009 1.9E2 291.1916 6.7E2 292.1965 1.4E2 293.2121 1.8E3 293.3648 1.1E2 309.2008 5.2E2 311.2222 4.6E3 311.3821 2.3E2 311.6183 1.3E2 312.0659 1.0E2 312.2287 8.0E2 312.3262 1.0E2 313.2339 1.3E2 322.4308 1.1E2 END IONS BEGIN IONS FEATURE_ID=11169 PEPMASS=301.2006 SCANS=11169 RTINSECONDS=2169.065 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0150 1.1E2 79.9647 1.3E2 96.9600 1.6E2 114.9949 1.1E2 120.9396 4.7E2 130.9662 2.0E2 174.9632 1.6E2 203.0642 1.6E2 221.1894 4.2E2 221.2389 1.0E2 239.2024 3.0E2 240.2018 2.0E2 255.1996 1.9E2 256.1904 4.0E2 273.0279 1.2E2 287.1262 2.2E2 301.1970 6.9E2 456.7693 1.1E2 483.9169 1.6E2 END IONS BEGIN IONS FEATURE_ID=11180 PEPMASS=345.1808 SCANS=11180 RTINSECONDS=2169.422 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 171.0980 1.8E2 175.0720 1.2E2 271.1269 1.5E2 END IONS BEGIN IONS FEATURE_ID=11189 PEPMASS=311.2215 SCANS=11189 RTINSECONDS=2169.53 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 125.0912 2.1E2 127.1122 1.8E2 130.9688 2.0E2 135.0403 1.7E2 138.1025 2.3E2 215.1013 1.4E2 226.0603 1.6E2 END IONS BEGIN IONS FEATURE_ID=11190 PEPMASS=379.2067 SCANS=11190 RTINSECONDS=2169.065 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0267 1.1E2 109.0294 1.8E2 116.9220 1.1E2 118.9930 1.1E2 129.0893 3.2E2 163.1079 2.5E2 163.2246 1.0E2 181.1210 1.3E2 182.0311 1.0E2 183.1081 1.3E2 193.0833 1.0E2 201.1188 1.2E2 203.0947 1.0E2 205.0851 2.3E2 221.1802 1.4E2 226.0461 1.3E2 231.1349 1.9E2 255.1594 1.2E2 269.8529 1.5E2 277.1800 1.9E2 293.1620 1.7E2 295.1864 2.6E2 301.1133 1.1E2 311.2175 7.9E2 312.2264 4.1E2 313.2356 1.2E2 314.2463 1.3E2 333.2105 2.3E2 334.1933 2.6E2 379.1358 1.9E2 380.9680 2.9E2 381.1498 3.4E2 381.1996 1.7E2 413.2399 1.0E2 699.0233 1.7E2 708.8465 1.1E2 END IONS BEGIN IONS FEATURE_ID=11199 PEPMASS=386.2884 SCANS=11199 RTINSECONDS=2171.71 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 88.0384 1.3E2 114.0533 2.0E2 132.0660 1.5E2 133.4675 1.1E2 275.8426 1.2E2 366.3340 1.0E2 369.2818 2.0E2 386.2863 2.5E3 386.4162 1.3E2 386.4706 1.5E2 387.2898 8.0E2 388.2165 1.1E2 760.7602 1.7E2 END IONS BEGIN IONS FEATURE_ID=11203 PEPMASS=349.2129 SCANS=11203 RTINSECONDS=2172.288 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (3 removed due to low quality, 0 removed due to low cosine). 269.0406 1.1E2 290.1907 1.0E2 313.2370 7.3E2 314.2366 1.1E2 END IONS BEGIN IONS FEATURE_ID=11206 PEPMASS=309.1865 SCANS=11206 RTINSECONDS=2172.36 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 69.0420 1.5E2 71.0174 1.5E2 83.0454 2.1E2 99.0427 2.0E2 101.0591 1.4E2 124.0197 2.5E2 127.1111 1.9E2 151.0415 1.9E2 151.0751 1.1E2 155.9842 1.1E2 162.1058 2.5E2 179.0636 1.7E2 180.0752 1.4E2 183.1361 1.8E2 205.1118 1.0E2 223.1404 1.4E2 253.0874 1.1E2 END IONS BEGIN IONS FEATURE_ID=11222 PEPMASS=309.1734 SCANS=11222 RTINSECONDS=2175.24 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 69.0301 1.4E2 81.0665 2.0E2 94.9213 1.2E2 96.0056 1.7E2 96.9629 1.2E2 97.0726 1.3E2 98.6015 1.2E2 120.0558 1.0E2 130.9631 1.8E2 147.0800 2.5E2 151.0734 2.5E2 162.1023 2.7E2 163.1067 1.0E2 179.0705 1.3E2 179.1076 1.0E2 183.0117 2.0E2 204.1475 1.4E2 219.1766 1.6E2 265.1846 1.2E2 338.1248 2.7E2 END IONS BEGIN IONS FEATURE_ID=11228 PEPMASS=675.3566 SCANS=11228 RTINSECONDS=2176.391 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0157 1.3E2 97.0297 1.5E2 101.0226 1.2E2 119.0434 1.1E2 172.0784 1.2E2 179.0520 3.7E2 235.0852 1.2E2 236.0792 1.2E2 253.0944 2.3E2 275.1078 1.4E2 277.2163 8.9E2 278.1009 1.3E2 278.2148 2.2E2 287.0745 1.1E2 291.1918 1.0E2 293.2145 1.2E2 307.2273 2.4E2 350.1530 1.1E2 379.2315 1.4E2 397.1309 9.2E2 398.1485 2.1E2 399.1487 1.0E2 415.1494 3.2E2 423.1534 1.4E2 447.2211 1.1E2 551.1427 1.2E2 641.4188 1.2E2 675.1670 1.1E2 675.4057 1.4E2 677.3327 1.4E2 678.3389 1.2E2 678.4564 1.3E2 END IONS BEGIN IONS FEATURE_ID=11229 PEPMASS=711.3342 SCANS=11229 RTINSECONDS=2177.029 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 119.0301 1.6E2 195.0253 1.4E2 233.1474 1.7E2 277.2107 2.0E2 421.1880 2.2E2 428.2626 1.4E2 669.2153 1.2E2 END IONS BEGIN IONS FEATURE_ID=11230 PEPMASS=721.3625 SCANS=11230 RTINSECONDS=2176.391 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0336 1.1E2 101.0243 2.0E2 169.0061 1.3E2 212.1672 1.9E2 277.2208 6.0E2 309.1741 1.3E2 360.0988 1.1E2 363.2159 1.6E2 379.1250 1.5E2 383.1188 1.4E2 386.2051 1.0E2 397.1335 2.4E3 397.2272 2.8E2 397.3169 1.3E2 398.1416 4.7E2 415.1418 8.5E2 415.2083 1.6E2 416.1460 2.3E2 417.1622 1.2E2 427.1072 2.1E2 670.0776 1.1E2 675.3666 6.1E2 676.3597 3.6E2 677.3433 1.2E2 677.5532 1.2E2 721.4324 2.1E2 722.3452 1.8E2 724.3562 1.3E2 END IONS BEGIN IONS FEATURE_ID=11233 PEPMASS=257.1750 SCANS=11233 RTINSECONDS=2178.017 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 161.0287 1.5E2 168.0109 1.2E2 END IONS BEGIN IONS FEATURE_ID=11235 PEPMASS=483.2369 SCANS=11235 RTINSECONDS=2178.017 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 78.9598 1.3E3 97.0300 1.2E2 99.9253 1.4E2 108.0438 1.7E2 112.9883 2.4E2 114.0559 1.5E2 114.9907 1.1E2 118.9468 1.3E2 139.1097 1.0E2 152.9944 2.6E3 153.0527 1.7E2 153.9926 1.2E2 154.1325 1.1E2 161.0264 1.1E2 164.9202 2.1E2 172.1031 1.1E2 176.0370 1.3E2 209.0706 1.7E2 225.1079 1.6E2 231.1509 1.9E2 236.1117 1.1E2 278.9027 2.4E2 280.1138 1.7E2 280.9079 1.0E2 281.0895 1.8E2 282.0483 1.1E2 295.2169 1.1E2 299.1928 2.1E2 301.9523 1.3E2 313.2474 2.5E2 333.1155 1.7E2 373.1724 1.1E2 400.0563 1.4E2 400.1051 1.7E2 411.1041 1.1E2 413.9790 2.0E2 417.3444 1.2E2 439.1455 1.6E2 449.1944 1.0E2 483.2401 1.4E3 484.0987 1.0E2 484.2328 1.8E2 485.3151 2.5E2 487.2183 1.3E2 487.3436 1.6E2 695.8409 1.1E2 END IONS BEGIN IONS FEATURE_ID=11239 PEPMASS=194.0809 SCANS=11239 RTINSECONDS=2179.34 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 94.9792 1.6E2 106.0413 1.5E2 134.0345 2.3E2 149.0594 6.4E2 151.1045 1.8E2 160.8866 1.4E2 164.0766 1.5E2 176.8980 1.5E2 194.0843 3.9E2 195.1411 1.2E2 END IONS BEGIN IONS FEATURE_ID=11254 PEPMASS=636.3138 SCANS=11254 RTINSECONDS=2181.204 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 99.0096 1.6E2 116.0730 1.4E2 189.0674 1.7E2 214.0519 2.1E2 268.0602 1.8E2 277.2193 9.7E2 277.3156 1.0E2 278.2122 2.6E2 287.1464 1.3E2 304.1971 2.0E2 407.1691 1.1E2 439.3491 1.9E2 474.2555 1.1E3 474.3413 1.9E2 474.8276 1.1E2 475.2622 3.2E2 487.2462 1.2E2 550.3944 1.2E2 605.2796 1.2E2 607.2062 1.2E2 636.1247 1.3E2 636.3185 9.9E2 637.3333 7.7E2 638.3338 1.5E2 639.3461 1.5E2 END IONS BEGIN IONS FEATURE_ID=11262 PEPMASS=641.1656 SCANS=11262 RTINSECONDS=2181.705 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 72.9952 1.1E2 110.6927 1.1E2 125.0596 1.2E2 134.0343 1.6E2 136.0124 1.4E2 153.0941 1.6E2 175.0386 1.4E2 198.0588 1.1E2 237.1458 1.3E2 238.0649 2.1E2 253.0440 5.1E2 254.0594 7.4E2 255.0613 2.3E2 269.0419 3.9E2 309.1701 1.6E2 349.1771 1.0E2 388.0917 1.3E2 407.1976 1.5E2 473.1030 2.3E2 474.1000 1.5E2 475.0786 1.1E2 482.1659 2.1E2 489.0960 3.5E2 490.1025 6.3E3 490.2552 1.7E2 490.3041 2.4E2 491.1035 1.5E3 491.2093 1.1E2 491.3093 1.6E2 492.1133 7.1E2 492.6351 1.3E2 497.1300 1.2E2 508.1092 1.3E3 509.1117 2.4E2 510.1058 2.4E2 521.1703 1.3E2 525.2070 1.0E2 531.1585 1.1E2 641.1595 1.0E3 641.2553 3.3E2 641.3929 2.0E2 642.1645 5.5E2 642.3901 2.1E2 642.5579 1.0E2 643.3403 1.8E2 644.3588 2.3E2 685.2402 1.2E2 END IONS BEGIN IONS FEATURE_ID=11266 PEPMASS=239.1276 SCANS=11266 RTINSECONDS=2180.774 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0545 2.4E2 95.0491 2.9E2 97.0654 2.2E2 97.9302 1.3E2 139.0394 2.3E2 140.0451 1.3E2 149.0613 1.4E2 442.4569 1.1E2 END IONS BEGIN IONS FEATURE_ID=11296 PEPMASS=339.1815 SCANS=11296 RTINSECONDS=2186.843 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 82.0802 1.2E2 96.0253 1.1E2 96.9631 1.4E2 98.9210 1.0E2 100.9259 1.4E2 119.0811 1.2E2 119.2769 1.1E2 121.0269 1.5E2 121.1021 1.4E2 125.0950 1.6E2 133.1106 1.3E2 141.9158 1.4E2 143.6068 1.4E2 151.1120 1.7E2 152.0791 1.8E2 155.0254 1.2E2 165.0898 5.7E2 167.0714 1.7E2 172.0960 1.9E2 179.1008 2.6E2 183.0036 2.6E2 183.1379 2.8E2 184.0111 1.3E2 193.1121 1.1E2 207.0934 1.9E2 343.1455 1.0E2 END IONS BEGIN IONS FEATURE_ID=11299 PEPMASS=323.2211 SCANS=11299 RTINSECONDS=2188.359 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.4472 1.1E2 79.3308 2.7E2 99.0798 2.0E2 103.0403 1.5E2 106.0404 1.3E2 107.0859 1.5E2 143.1095 1.2E2 152.9743 1.2E2 171.1017 1.6E2 175.1567 1.2E2 183.1171 2.1E2 183.1646 1.1E2 185.1300 1.5E2 187.0890 1.4E2 205.1152 1.7E2 221.1541 3.1E2 232.1766 1.7E2 269.2325 1.0E2 273.1869 1.5E2 289.1794 1.4E2 291.1939 1.9E2 294.4229 1.1E2 305.2098 1.4E2 306.2110 1.3E2 308.1977 1.5E2 325.1797 1.4E2 352.3578 1.1E2 792.4817 1.8E2 816.2252 1.6E2 END IONS BEGIN IONS FEATURE_ID=11307 PEPMASS=360.2738 SCANS=11307 RTINSECONDS=2188.928 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 148.0381 1.1E2 171.0953 1.9E2 236.0970 4.6E2 245.1964 1.3E2 279.1160 2.6E2 463.1256 2.6E2 END IONS BEGIN IONS FEATURE_ID=11329 PEPMASS=562.3138 SCANS=11329 RTINSECONDS=2193.935 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 78.9667 1.2E2 97.0632 1.2E2 100.8878 1.1E2 156.8919 1.8E2 161.0316 1.7E2 164.0684 1.3E2 174.0261 1.0E2 187.5027 1.1E2 239.2035 1.5E2 247.1607 2.6E2 261.1493 1.1E2 277.2148 3.0E3 277.2962 1.6E2 278.2243 7.1E2 279.0741 1.2E2 297.2367 1.0E2 300.0852 1.0E2 327.2866 1.0E2 383.3177 1.3E2 441.2883 1.4E2 458.9661 1.2E2 462.1196 1.8E2 490.2152 1.3E2 502.2964 4.6E2 503.2715 1.6E2 519.1022 1.4E2 520.1435 1.0E2 526.3061 1.3E2 528.2850 1.5E2 563.3187 1.1E2 563.3604 2.2E2 564.1721 1.3E2 564.2790 2.0E2 565.1072 1.5E2 565.2669 1.8E2 796.5755 1.2E2 END IONS BEGIN IONS FEATURE_ID=11333 PEPMASS=641.1654 SCANS=11333 RTINSECONDS=2193.935 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 85.0289 1.1E2 87.0423 1.3E2 101.0226 1.2E2 137.0937 1.3E2 161.0220 1.1E2 178.0199 1.8E2 191.0658 1.1E2 237.0101 1.1E2 241.0103 1.2E2 253.0410 1.8E2 253.0466 1.2E3 253.1060 2.0E2 254.0517 1.5E3 254.1574 1.2E2 255.0576 5.8E2 256.0594 1.5E2 269.0442 3.4E2 270.0430 1.8E2 299.0647 1.0E2 339.1491 1.1E2 367.2435 1.1E2 389.4391 1.5E2 429.5099 1.8E2 462.1033 2.6E2 463.1826 1.9E2 472.0864 3.6E2 472.1550 1.4E2 473.1101 2.5E2 474.1026 4.3E2 475.0811 3.0E2 483.9658 1.2E2 485.8766 1.5E2 489.0949 1.7E3 489.2975 1.0E2 489.9570 1.1E2 490.1047 1.0E4 490.3038 2.1E2 490.4194 1.1E2 491.1081 3.8E3 491.1987 1.8E2 491.2459 1.9E2 491.3319 1.4E2 491.7569 1.0E2 492.1118 9.3E2 493.1162 1.6E2 507.1122 1.4E2 508.1129 1.5E3 508.1785 1.3E2 508.2157 1.2E2 509.1152 8.1E2 510.1192 4.1E2 511.1301 1.2E2 514.4031 1.6E2 538.7498 1.7E2 641.1629 2.0E3 641.3394 1.9E2 641.3657 2.7E2 642.1686 9.4E2 642.3064 3.3E2 642.4678 2.0E2 642.7126 1.2E2 643.1704 4.5E2 643.3099 3.2E2 643.3811 1.2E2 644.1643 1.4E2 644.3985 2.1E2 668.7794 1.5E2 744.9606 1.6E2 END IONS BEGIN IONS FEATURE_ID=11337 PEPMASS=722.3669 SCANS=11337 RTINSECONDS=2193.935 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0163 2.8E2 87.0495 2.4E2 89.0260 1.0E3 98.7228 1.0E2 99.0069 1.6E2 101.0278 3.2E2 113.0202 4.9E2 114.0277 1.3E2 119.0333 3.8E2 120.0376 1.5E2 138.0938 1.3E2 143.0313 2.2E2 149.0382 1.0E2 179.0582 1.0E2 199.0544 1.8E2 217.0697 1.0E2 235.0815 5.7E2 236.0772 1.3E2 277.2161 1.7E3 278.2171 1.4E3 281.0316 1.2E2 330.0603 1.7E2 370.2540 1.7E2 397.1212 1.2E2 398.1418 6.1E2 399.1263 1.7E2 416.1541 1.9E2 END IONS BEGIN IONS FEATURE_ID=11342 PEPMASS=675.3586 SCANS=11342 RTINSECONDS=2195.276 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0137 4.3E2 74.0337 1.2E2 80.9621 2.7E2 80.9969 1.0E2 85.0292 2.4E2 89.0231 1.3E3 89.0854 1.1E2 90.0265 2.1E2 95.0131 2.0E2 101.0236 7.4E2 111.0431 1.8E2 113.0229 7.2E2 115.0438 1.4E2 119.0402 1.4E2 124.0093 1.6E2 125.0219 1.4E2 130.8026 1.2E2 139.0390 1.1E2 143.0381 2.8E2 161.0417 1.8E2 166.0218 1.0E2 179.0544 1.2E2 189.0334 1.1E2 193.0688 1.9E2 235.0838 1.2E2 253.1297 2.0E2 263.0790 1.3E2 275.3017 1.1E2 277.2159 1.9E3 277.3674 1.4E2 278.2194 4.7E2 279.2272 3.1E2 415.1368 1.2E2 416.1452 1.7E2 497.1083 1.1E2 END IONS BEGIN IONS FEATURE_ID=11343 PEPMASS=711.3351 SCANS=11343 RTINSECONDS=2194.605 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (2 removed due to low quality, 1 removed due to low cosine). 113.0325 2.0E2 119.0360 2.9E2 139.1131 1.5E2 145.0254 1.2E2 190.0651 1.0E2 259.2166 1.0E2 277.2115 4.9E2 397.1373 2.0E2 END IONS BEGIN IONS FEATURE_ID=11344 PEPMASS=721.3637 SCANS=11344 RTINSECONDS=2194.605 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0151 7.2E2 72.0459 1.5E2 73.0298 2.7E2 87.0415 1.2E2 89.0238 2.2E3 89.1112 1.6E2 97.0294 1.5E2 101.0248 7.2E2 113.0257 7.1E2 119.0343 7.4E2 121.0292 1.5E2 125.0214 3.2E2 126.0315 1.5E2 131.0363 1.5E2 144.0470 2.5E2 155.0378 1.5E2 161.0384 3.5E2 162.0452 2.6E2 179.0508 1.6E2 194.1480 1.5E2 233.0783 1.4E2 235.0832 5.5E2 277.0848 1.5E2 277.2188 2.8E3 277.3728 1.9E2 278.2234 7.4E2 279.2152 1.4E2 356.2894 1.6E2 397.1259 8.6E2 398.1253 1.2E2 415.1435 1.5E2 417.1464 1.8E2 518.1678 1.5E2 END IONS BEGIN IONS FEATURE_ID=11348 PEPMASS=221.0941 SCANS=11348 RTINSECONDS=2194.782 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 113.0976 1.7E2 141.1272 8.2E2 159.8942 1.1E2 185.1157 1.4E2 193.0917 1.8E2 221.1495 4.5E2 975.7096 1.1E2 END IONS BEGIN IONS FEATURE_ID=11380 PEPMASS=194.0812 SCANS=11380 RTINSECONDS=2198.461 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 149.0666 3.5E2 194.0806 4.4E2 195.1301 1.1E2 END IONS BEGIN IONS FEATURE_ID=11395 PEPMASS=201.1484 SCANS=11395 RTINSECONDS=2203.435 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 101.9342 1.8E2 120.0601 1.3E2 149.0218 1.5E2 154.1366 1.7E2 155.1430 9.0E2 156.1452 1.5E2 156.4155 1.1E2 156.6558 1.3E2 201.1430 2.2E2 353.4387 1.2E2 END IONS BEGIN IONS FEATURE_ID=11401 PEPMASS=677.1413 SCANS=11401 RTINSECONDS=2203.573 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9578 2.1E2 87.0060 1.1E2 113.0976 2.8E2 114.9872 1.5E2 125.0261 1.4E2 149.0940 1.7E2 159.0382 1.3E2 213.4652 1.2E2 241.0193 1.2E2 248.0687 1.1E2 253.0510 2.9E2 254.0538 7.2E2 269.0478 1.4E2 277.2033 2.1E2 278.2223 1.3E2 347.4823 1.0E2 408.3771 1.3E2 435.2344 1.5E2 472.0767 1.3E2 473.1221 2.4E2 486.3386 1.0E2 489.1041 3.1E2 490.1020 6.5E3 491.1112 1.6E3 491.2067 2.4E2 491.2999 1.1E2 492.1230 3.5E2 493.1065 1.4E2 493.2381 1.3E2 508.1135 4.3E2 509.1108 2.0E2 512.2852 1.5E2 514.1723 1.9E2 END IONS BEGIN IONS FEATURE_ID=11403 PEPMASS=323.2215 SCANS=11403 RTINSECONDS=2204.626 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 71.0488 2.7E2 130.4811 1.2E2 149.0973 1.2E2 150.0970 1.4E2 192.9907 1.2E2 END IONS BEGIN IONS FEATURE_ID=11406 PEPMASS=424.3050 SCANS=11406 RTINSECONDS=2204.626 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 83.0116 2.8E2 87.0443 1.6E2 95.0852 1.0E2 109.0283 1.3E2 130.0865 5.5E3 130.1395 4.1E2 130.1899 1.9E2 131.0546 1.0E2 131.0806 1.4E2 131.0880 4.3E2 131.1198 1.1E2 133.0110 2.6E2 146.0414 1.1E2 240.1558 1.1E2 253.2142 1.5E2 292.2596 2.4E2 310.2115 1.1E2 413.0242 1.0E2 424.3052 3.7E3 424.4949 2.1E2 425.2070 1.1E2 425.3065 1.2E3 425.3960 1.3E2 426.3045 1.9E2 562.8901 1.1E2 END IONS BEGIN IONS FEATURE_ID=11422 PEPMASS=323.1865 SCANS=11422 RTINSECONDS=2206.227 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 80.0223 1.8E2 83.0172 1.6E2 95.0102 2.2E2 96.9644 2.1E2 104.9577 2.2E2 136.0893 1.8E2 147.0764 1.4E2 149.0917 1.9E2 152.0822 7.5E2 153.0905 3.1E2 162.1034 2.1E2 175.0780 8.6E2 175.1143 1.1E2 176.0789 3.1E2 183.0069 3.3E2 190.0917 1.2E2 193.0870 1.7E2 193.1559 2.2E2 207.1284 1.1E2 209.1505 2.4E2 210.1581 2.0E2 464.9103 1.5E2 END IONS BEGIN IONS FEATURE_ID=11434 PEPMASS=699.3935 SCANS=11434 RTINSECONDS=2206.161 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0128 2.4E2 97.0689 2.0E2 99.0408 1.4E2 111.0045 1.8E2 112.9858 1.8E2 187.0949 4.4E2 208.0653 1.3E2 261.1473 1.6E2 293.2158 2.2E2 323.0919 1.4E2 341.0981 1.1E2 397.0955 1.8E2 400.7436 2.6E2 445.4140 1.1E2 563.1604 1.4E2 566.0678 1.0E2 637.1625 1.1E2 639.2347 1.6E2 641.1638 1.6E2 655.4494 2.4E2 656.4179 1.1E2 657.3646 1.0E2 664.2950 2.2E2 664.3939 1.6E2 669.2010 2.7E2 692.3810 1.2E2 699.3969 2.5E3 699.5515 2.3E2 699.6385 1.5E2 699.7104 1.0E2 700.0099 1.0E2 700.4016 1.7E3 700.5303 1.8E2 700.6253 1.5E2 701.4049 6.8E2 701.4973 2.1E2 701.6479 1.1E2 702.4160 2.1E2 703.3617 1.2E2 763.9303 1.4E2 END IONS BEGIN IONS FEATURE_ID=11444 PEPMASS=552.2857 SCANS=11444 RTINSECONDS=2208.501 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9590 4.0E2 81.0249 1.2E2 85.0272 1.2E2 87.0436 1.2E2 97.0316 1.4E2 135.0381 1.1E2 164.0395 1.6E2 168.0411 2.5E2 205.1951 1.2E2 208.1431 1.3E2 224.0756 1.6E2 225.0736 1.1E2 233.2290 1.7E2 253.0385 1.7E2 265.1854 1.3E2 276.2092 1.2E2 276.2794 1.2E2 277.2148 3.7E3 278.2203 9.5E2 375.0559 1.3E2 376.0577 1.0E2 END IONS BEGIN IONS FEATURE_ID=11445 PEPMASS=562.3139 SCANS=11445 RTINSECONDS=2208.916 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 78.9573 9.4E2 78.9625 9.2E2 83.0508 1.1E2 96.9689 1.5E2 119.0623 1.4E2 152.9952 4.9E2 153.9970 2.1E2 168.0360 6.7E2 168.0482 2.3E2 217.1500 2.6E2 224.0652 1.1E3 224.0732 8.9E2 224.1329 1.8E2 224.1694 1.0E2 225.0649 2.8E2 235.0887 1.8E2 242.0667 2.0E2 242.0752 2.2E2 275.2031 2.1E2 277.2159 1.5E4 277.3238 2.7E2 277.3597 1.9E2 277.3893 1.7E2 277.4089 1.1E2 277.9323 1.2E2 278.2195 2.6E3 278.2265 5.1E2 278.2943 1.1E2 279.2138 1.6E2 279.2242 2.6E2 326.0585 1.2E2 343.2641 1.8E2 353.0823 1.5E2 392.3745 2.6E2 395.8012 1.3E2 403.0484 1.5E2 471.3160 1.2E2 502.2900 6.2E3 503.2932 1.9E3 503.6239 1.0E2 504.2968 4.3E2 504.3588 1.1E2 535.1072 1.3E2 562.3552 1.6E2 563.3352 1.3E2 END IONS BEGIN IONS FEATURE_ID=11447 PEPMASS=132.9226 SCANS=11447 RTINSECONDS=2209.281 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 99.9242 1.3E2 100.9326 1.2E3 100.9843 1.0E2 101.9358 1.9E2 115.9226 3.8E2 117.9204 1.2E2 134.8849 1.4E2 571.3794 1.3E2 END IONS BEGIN IONS FEATURE_ID=11461 PEPMASS=637.4007 SCANS=11461 RTINSECONDS=2212.529 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 89.0269 1.0E2 107.0313 1.0E2 144.1991 1.1E2 145.0460 1.6E2 150.1592 1.1E2 208.0910 1.0E2 215.1246 1.1E2 245.0851 1.1E2 304.9082 1.6E2 373.1042 1.3E2 422.8478 1.4E2 459.3337 1.5E2 477.1846 1.2E2 497.1191 1.5E2 502.2867 1.8E2 572.4384 1.3E2 591.2805 2.1E2 596.9270 1.2E2 602.2884 1.1E2 621.2809 1.2E2 637.2435 1.2E2 637.3922 1.0E3 637.4683 3.0E2 638.4084 5.3E2 638.5048 1.0E2 639.2912 2.5E2 639.4579 3.3E2 640.0613 1.0E2 641.3288 1.5E2 704.2611 1.3E2 923.6202 1.0E2 END IONS BEGIN IONS FEATURE_ID=11479 PEPMASS=293.1752 SCANS=11479 RTINSECONDS=2215.533 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 96.9607 1.6E2 114.9938 1.7E2 136.0936 1.0E2 142.9222 1.3E2 151.1113 1.2E2 192.1180 3.6E2 193.1582 3.8E2 193.1927 1.0E2 194.1651 1.6E2 215.0713 2.4E2 220.1452 9.8E2 221.1535 1.3E3 221.2191 1.1E2 221.2471 1.0E2 221.5634 1.6E2 222.1577 5.2E2 236.1045 8.0E2 239.1308 1.2E2 249.1861 1.3E2 250.1883 1.6E2 251.2041 2.5E2 267.0696 1.3E2 293.1753 2.9E2 294.1836 5.1E2 294.2406 1.1E2 295.1981 2.6E2 END IONS BEGIN IONS FEATURE_ID=11480 PEPMASS=361.1649 SCANS=11480 RTINSECONDS=2215.533 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 92.9244 1.2E2 96.9601 1.6E2 137.0241 1.6E2 157.0365 1.3E2 164.9264 1.6E2 165.0869 1.2E2 178.0610 2.0E2 193.1557 6.3E2 193.1905 2.7E2 194.1692 1.7E2 209.0786 1.8E2 220.1444 1.5E2 221.0734 1.1E2 221.1533 3.4E2 221.1936 1.1E2 222.1611 1.3E2 229.1363 1.3E2 236.1034 7.5E2 237.1029 2.6E2 248.0618 2.4E2 249.1841 5.1E2 268.9975 1.7E2 293.1768 6.8E2 294.1809 2.3E2 307.1249 1.2E2 307.2039 1.2E2 362.0806 1.1E2 429.6512 1.4E2 END IONS BEGIN IONS FEATURE_ID=11489 PEPMASS=313.2376 SCANS=11489 RTINSECONDS=2216.273 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (2 removed due to low quality, 3 removed due to low cosine). 97.0690 1.4E2 99.0820 3.5E2 187.0707 1.0E2 704.1118 1.3E2 741.7911 1.1E2 END IONS BEGIN IONS FEATURE_ID=11499 PEPMASS=309.2057 SCANS=11499 RTINSECONDS=2217.486 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 86.9784 1.3E2 96.9589 2.1E2 183.0109 1.4E2 197.9879 1.4E2 332.3734 1.2E2 END IONS BEGIN IONS FEATURE_ID=11500 PEPMASS=345.1833 SCANS=11500 RTINSECONDS=2217.486 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 223.1659 1.2E2 298.0574 1.7E2 553.9548 1.1E2 END IONS BEGIN IONS FEATURE_ID=11509 PEPMASS=641.1658 SCANS=11509 RTINSECONDS=2218.415 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 241.2175 2.2E2 253.0447 1.7E2 263.1945 1.9E2 385.2153 1.2E2 417.1439 1.6E2 472.0850 1.8E2 482.0142 1.8E2 490.0985 9.6E2 491.1106 9.2E2 491.1793 1.2E2 508.1145 5.0E2 509.1066 1.7E2 582.2353 2.1E2 641.1548 6.5E2 641.4087 2.8E2 642.1683 4.1E2 642.3045 1.3E2 642.4133 2.8E2 643.2096 1.3E2 643.4062 3.2E2 643.5333 1.3E2 644.2677 1.5E2 644.4010 1.8E2 END IONS BEGIN IONS FEATURE_ID=11517 PEPMASS=311.2221 SCANS=11517 RTINSECONDS=2219.003 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 87.0450 1.0E2 101.9287 1.2E2 115.0766 1.0E2 127.1097 1.7E2 129.0915 1.1E3 137.0917 2.6E2 141.0529 2.8E2 141.0925 1.7E2 141.1189 1.3E2 155.1083 1.8E2 169.1186 1.7E2 171.0991 4.2E2 172.1021 1.1E2 174.9565 3.2E2 183.1350 2.0E3 184.1450 1.6E2 184.1805 1.3E2 194.1354 1.3E2 201.1126 6.4E2 201.1692 1.0E2 202.1167 3.0E2 209.1565 1.2E2 223.1608 2.3E2 231.2024 1.3E2 249.2018 1.1E2 253.2162 1.2E2 257.1687 1.2E2 275.1979 4.9E2 277.2161 4.1E2 293.2214 1.3E2 294.2188 2.7E2 295.2292 4.7E2 296.2321 2.7E2 311.2176 6.7E2 312.2173 3.3E2 313.2378 2.3E3 313.3802 1.1E2 314.2422 7.5E2 315.2200 1.9E2 608.2270 1.3E2 954.0148 1.3E2 END IONS BEGIN IONS FEATURE_ID=11535 PEPMASS=815.4287 SCANS=11535 RTINSECONDS=2221.578 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0270 1.3E2 87.0081 2.4E2 89.0245 8.1E2 91.0314 2.6E2 93.0332 1.1E2 95.0154 2.1E2 95.0494 1.0E2 97.0252 2.6E2 101.0248 1.1E3 101.0667 1.1E2 102.0292 1.9E2 113.0244 1.1E3 113.0793 1.1E2 119.0374 3.4E2 125.0209 6.1E2 131.0385 2.5E2 143.0281 2.8E2 161.0403 2.0E2 179.0533 2.1E2 187.1141 1.0E2 193.0549 1.3E2 207.1810 1.1E2 221.0643 5.0E2 253.0815 1.1E2 255.2359 3.0E2 289.1780 1.9E2 295.0990 1.8E2 311.0579 1.1E2 365.1116 1.4E2 379.1280 1.9E2 383.1204 1.9E2 397.1342 3.3E2 397.4762 1.3E2 398.1388 1.1E2 412.0970 1.3E2 415.1404 1.5E2 444.2834 1.7E2 491.0960 1.4E2 541.1649 1.4E2 559.1891 3.7E2 560.1918 2.5E2 566.2111 1.9E2 577.1837 3.8E2 598.2297 1.1E2 601.4014 1.8E2 669.3575 1.0E2 END IONS BEGIN IONS FEATURE_ID=11551 PEPMASS=538.3127 SCANS=11551 RTINSECONDS=2225.788 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9549 1.7E2 80.9556 1.6E2 98.0377 1.5E2 99.0429 1.6E2 116.9202 1.0E2 224.0676 2.2E2 225.0667 1.2E2 253.2151 2.4E3 253.3260 1.6E2 254.2179 5.4E2 257.2215 1.2E2 314.1949 1.2E2 374.0237 1.4E2 391.1487 1.7E2 471.3469 1.9E2 472.3347 2.4E2 541.2164 1.1E2 691.2268 1.6E2 END IONS BEGIN IONS FEATURE_ID=11560 PEPMASS=440.3010 SCANS=11560 RTINSECONDS=2226.647 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 96.0480 1.4E2 99.0067 1.1E2 111.0792 1.5E2 126.0599 1.7E2 141.0416 2.2E2 144.0695 7.1E2 145.0645 2.3E2 156.0654 2.2E2 168.0665 1.3E2 186.0757 9.8E2 186.2028 1.1E2 198.0733 2.5E2 241.1866 1.1E2 253.2207 1.4E2 265.2081 4.4E2 362.2670 2.6E2 379.1854 1.3E2 397.1828 4.7E2 399.2330 1.3E2 410.3016 1.1E2 422.2996 1.6E2 423.3072 2.1E2 440.0522 1.4E2 440.1353 2.3E2 440.3035 2.4E3 440.3947 2.6E2 441.3136 4.8E2 442.2930 2.5E2 443.3167 1.3E2 END IONS BEGIN IONS FEATURE_ID=11576 PEPMASS=313.2373 SCANS=11576 RTINSECONDS=2228.274 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 75.0073 2.5E2 127.1102 1.3E2 157.1164 1.3E2 171.0985 2.1E2 172.2233 1.1E2 183.1329 1.2E2 201.1110 1.6E3 202.1150 1.6E2 203.1149 3.5E2 255.2255 1.2E2 269.0373 1.9E2 278.2196 1.5E2 313.1552 1.0E2 313.2309 3.8E2 313.2697 2.0E2 314.2334 2.3E2 315.2415 1.6E2 510.9768 1.2E2 END IONS BEGIN IONS FEATURE_ID=11578 PEPMASS=381.2253 SCANS=11578 RTINSECONDS=2229.123 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0220 2.0E2 125.0951 1.4E2 126.0637 2.2E2 127.1113 1.5E2 144.1012 1.7E2 147.0822 1.3E2 155.1179 2.0E2 156.1096 1.2E2 164.0717 1.5E2 171.1014 1.7E2 179.1071 1.8E2 184.1056 1.2E2 193.0828 5.6E2 195.0974 1.3E2 196.1048 1.3E2 201.1119 1.0E3 202.1165 2.3E2 203.0986 1.0E2 223.0745 1.6E2 236.4276 1.2E2 277.2116 2.1E2 311.2247 1.4E2 313.2426 2.1E2 314.2420 1.1E2 END IONS BEGIN IONS FEATURE_ID=11582 PEPMASS=638.3294 SCANS=11582 RTINSECONDS=2229.123 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 171.0984 2.4E2 191.0916 1.5E2 196.0291 1.1E2 222.0772 1.5E2 228.2625 1.5E2 242.0963 1.2E2 268.0514 1.6E2 279.1479 1.9E2 279.2352 7.2E2 280.2386 3.2E2 329.2343 1.8E2 476.2731 1.0E3 477.2893 3.8E2 478.2468 1.2E2 518.2877 3.4E2 525.3259 1.1E2 638.3230 1.9E3 638.4307 4.0E2 639.3316 1.1E3 639.4446 3.2E2 639.5236 1.6E2 640.3275 1.1E2 641.2503 3.1E2 END IONS BEGIN IONS FEATURE_ID=11607 PEPMASS=477.2848 SCANS=11607 RTINSECONDS=2232.993 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 4 (0 removed due to low quality, 0 removed due to low cosine). 85.0277 2.2E2 85.0627 1.5E2 85.0702 1.1E2 117.0336 1.0E3 117.0631 1.2E2 117.1366 1.1E2 118.0012 1.2E2 118.0358 4.2E2 118.0447 2.8E2 119.0518 1.8E3 127.0285 1.7E2 131.0677 1.5E3 132.0566 2.6E2 140.1145 1.2E2 145.0294 2.1E4 145.1412 1.7E2 145.3868 1.7E2 146.0325 2.6E3 147.0322 3.5E2 147.0390 2.7E2 156.9239 1.3E2 160.9326 2.1E2 163.0398 1.4E3 164.0200 1.5E2 164.0399 2.0E2 164.1066 1.3E2 167.1122 1.5E2 169.0415 1.6E2 178.0515 1.5E2 203.0358 1.4E2 217.1590 1.7E2 254.2076 1.0E2 256.2267 1.1E2 311.2140 1.1E2 313.2241 1.6E2 313.2420 1.8E2 329.2283 2.1E2 331.2433 1.6E3 331.2522 1.3E3 331.3260 1.5E2 332.2512 2.1E2 332.2639 2.6E2 332.2914 1.2E2 374.3210 2.0E2 377.2779 1.0E2 386.2872 1.2E2 391.3242 1.3E2 393.2454 1.3E2 418.1523 2.8E2 444.2943 1.2E2 460.2614 1.2E2 477.2803 2.8E3 477.2899 4.2E3 477.3508 1.2E2 477.3975 2.1E2 477.4722 3.8E2 477.5748 1.3E2 477.6945 1.2E2 478.1849 1.1E2 478.2946 2.1E3 478.4173 1.5E2 478.5051 1.1E2 479.2740 7.5E2 479.2954 6.8E2 479.4089 3.7E2 480.2840 6.5E2 480.9613 1.0E2 END IONS BEGIN IONS FEATURE_ID=11621 PEPMASS=295.1914 SCANS=11621 RTINSECONDS=2233.892 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 114.9976 1.3E2 136.9082 1.8E2 155.1071 1.9E2 171.1144 1.3E2 232.8282 1.2E2 235.1682 1.1E2 238.1054 1.2E2 251.1994 1.1E3 252.2068 3.9E2 252.2846 1.0E2 277.2067 1.9E2 295.1903 2.9E2 295.2431 1.2E2 296.1841 1.2E2 297.2433 1.1E2 536.2331 1.4E2 END IONS BEGIN IONS FEATURE_ID=11627 PEPMASS=271.1907 SCANS=11627 RTINSECONDS=2234.336 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (2 removed due to low quality, 0 removed due to low cosine). 157.0844 1.1E2 181.1531 1.2E2 193.0508 2.1E2 209.1924 8.7E2 210.1952 3.2E2 253.1779 1.2E3 254.1821 1.7E2 271.2004 2.1E2 272.0927 1.1E2 END IONS BEGIN IONS FEATURE_ID=11636 PEPMASS=557.2975 SCANS=11636 RTINSECONDS=2235.337 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 85.0288 2.0E2 89.0253 1.4E2 91.0540 2.4E2 101.9344 1.0E2 157.0076 1.4E2 161.1316 1.2E2 177.1576 1.8E2 179.0478 1.4E2 181.0638 2.6E2 218.1011 2.0E2 275.2021 3.5E2 276.1987 3.2E2 286.1242 1.2E2 294.1399 1.5E2 311.1548 1.3E2 352.1915 1.2E2 458.1772 1.3E2 END IONS BEGIN IONS FEATURE_ID=11643 PEPMASS=313.2375 SCANS=11643 RTINSECONDS=2235.68 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 97.0492 1.1E2 171.0966 1.6E2 END IONS BEGIN IONS FEATURE_ID=11664 PEPMASS=291.1956 SCANS=11664 RTINSECONDS=2238.477 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 79.9559 2.6E2 96.9601 1.8E2 148.0531 2.3E2 177.0856 3.7E2 205.1239 4.3E2 206.1213 2.3E2 220.1436 3.9E2 220.1897 1.3E2 221.1527 4.6E2 225.1862 1.0E2 386.2366 1.0E2 END IONS BEGIN IONS FEATURE_ID=11679 PEPMASS=347.1975 SCANS=11679 RTINSECONDS=2240.922 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 164.0989 1.9E2 179.0245 1.8E2 191.1076 1.4E2 197.1161 1.6E2 213.1507 2.2E2 285.1759 1.8E2 291.2098 1.5E2 311.2207 1.8E2 349.2447 5.2E2 350.2337 1.7E2 END IONS BEGIN IONS FEATURE_ID=11686 PEPMASS=677.3737 SCANS=11686 RTINSECONDS=2242.172 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 71.0137 4.7E2 85.0279 1.3E2 89.0248 1.1E3 94.9254 1.4E2 97.0276 2.9E2 101.0237 5.2E2 102.0244 1.4E2 113.0253 5.5E2 119.0376 3.3E2 125.0228 2.7E2 134.0335 1.6E2 135.0534 1.1E2 161.0403 1.7E2 177.0736 1.4E2 231.0115 1.3E2 235.0787 2.2E2 245.0341 2.1E2 279.2338 2.2E3 279.3398 1.1E2 279.3845 1.2E2 280.1079 1.6E2 280.2387 4.4E2 281.2454 2.2E2 288.1234 2.7E2 358.1106 1.1E2 397.1380 2.4E2 455.1919 1.5E2 661.4403 1.2E2 END IONS BEGIN IONS FEATURE_ID=11687 PEPMASS=713.3495 SCANS=11687 RTINSECONDS=2242.715 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0112 1.0E2 86.1781 1.3E2 112.9872 1.1E2 131.0662 1.2E2 151.0348 2.0E2 159.0976 1.4E2 161.0397 2.0E2 161.0888 1.1E2 187.0386 1.2E2 235.0893 2.2E2 254.3693 1.2E2 279.2318 3.7E2 280.2406 1.5E2 285.0697 1.4E2 353.2632 1.0E2 416.1656 1.1E2 515.0450 1.5E2 END IONS BEGIN IONS FEATURE_ID=11695 PEPMASS=564.3284 SCANS=11695 RTINSECONDS=2242.715 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 158.9786 2.2E2 189.0273 2.3E2 279.2304 1.1E3 280.2331 5.9E2 405.2641 1.0E2 455.1371 1.1E2 497.2498 1.4E2 498.3057 1.8E2 504.3035 8.4E2 505.2303 1.0E2 505.3085 5.1E2 505.4424 1.5E2 549.2326 1.2E2 564.2951 1.5E2 565.3228 2.1E2 567.2600 1.6E2 END IONS BEGIN IONS FEATURE_ID=11696 PEPMASS=723.3790 SCANS=11696 RTINSECONDS=2243.325 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (2 removed due to low quality, 0 removed due to low cosine). 71.0147 2.5E2 83.0115 3.2E2 85.0302 3.5E2 87.0077 5.0E2 89.0246 8.6E2 89.0590 1.4E2 101.0237 5.8E2 113.0256 4.1E2 119.0273 1.2E2 125.0222 1.2E2 133.0429 1.9E2 143.0357 2.6E2 143.0905 1.0E2 176.8836 1.1E2 221.0587 1.1E2 235.0803 2.6E2 245.0184 1.7E2 249.1504 1.2E2 279.2307 1.9E3 280.2349 3.6E2 286.1215 1.1E2 383.1380 1.1E2 397.1276 5.6E2 398.1312 1.5E2 415.1422 1.8E2 723.3789 1.5E2 END IONS BEGIN IONS FEATURE_ID=11698 PEPMASS=194.0814 SCANS=11698 RTINSECONDS=2243.971 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 99.9252 1.1E2 109.0139 1.8E2 137.8217 1.2E2 END IONS BEGIN IONS FEATURE_ID=11706 PEPMASS=647.3284 SCANS=11706 RTINSECONDS=2243.936 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0201 1.8E2 89.0257 1.8E2 119.0340 1.9E2 124.0354 1.0E2 187.1118 1.1E2 277.2211 5.8E2 277.8803 1.1E2 281.2277 2.2E2 307.0770 1.9E2 311.2080 1.7E2 323.0967 3.2E2 341.1089 6.2E2 371.1536 1.0E2 445.3015 2.1E2 508.0900 1.0E2 581.2494 1.1E2 601.3163 5.0E2 602.3255 2.7E2 603.3389 1.8E2 647.3596 2.0E2 647.4324 1.7E2 648.2555 1.2E2 649.3671 2.4E2 649.4116 1.2E2 650.3508 1.5E2 650.4500 1.5E2 651.2761 2.2E2 651.3690 1.4E2 870.9927 1.2E2 END IONS BEGIN IONS FEATURE_ID=11720 PEPMASS=311.2207 SCANS=11720 RTINSECONDS=2246.865 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0052 1.5E2 76.0112 2.7E2 83.0533 1.2E2 113.0956 2.5E2 119.0439 1.6E2 125.0969 4.7E2 129.0965 1.1E2 130.9651 6.3E2 141.0896 1.8E3 141.1280 4.5E2 141.1729 1.0E2 141.2772 1.2E2 141.5908 1.2E2 142.0886 3.4E2 142.1237 1.1E2 153.0910 1.8E3 154.0929 3.6E2 155.1408 4.6E2 157.0870 9.9E2 169.0827 1.4E2 171.1106 9.9E2 171.8442 1.5E2 172.0963 1.6E2 173.1379 1.4E2 174.9523 6.7E2 175.1063 1.5E2 179.1749 1.3E2 181.1313 1.7E2 187.1034 1.6E2 193.1189 1.0E2 197.1109 1.9E2 199.1310 2.7E2 205.1927 3.2E2 211.1312 2.5E2 212.1404 1.2E2 223.2064 2.2E2 224.2070 1.6E2 250.2089 1.2E2 258.7283 1.3E2 267.1895 1.3E2 267.2289 1.3E2 269.0428 1.6E2 277.2156 9.3E2 278.2220 1.3E2 279.2063 1.1E2 293.1986 1.3E2 295.2255 1.3E3 295.3033 1.1E2 296.2356 2.1E2 311.2135 8.3E2 312.0576 1.2E2 312.2256 2.1E2 313.2364 4.0E3 313.3884 1.6E2 314.2387 1.1E3 314.2937 3.5E2 315.2370 2.0E2 END IONS BEGIN IONS FEATURE_ID=11733 PEPMASS=270.2065 SCANS=11733 RTINSECONDS=2246.865 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 130.0883 1.3E3 130.1564 1.1E2 131.0883 2.4E2 154.0759 1.1E2 156.9928 2.2E2 209.1819 1.0E2 210.1930 1.8E2 226.2141 1.5E2 270.2091 1.1E2 271.2253 2.0E2 310.1317 1.8E2 END IONS BEGIN IONS FEATURE_ID=11752 PEPMASS=699.3815 SCANS=11752 RTINSECONDS=2248.685 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 71.0129 2.0E2 81.0330 1.4E2 89.0243 2.7E2 96.0066 1.0E2 102.0267 2.6E2 112.9858 3.2E2 113.9911 1.1E2 198.1104 1.2E2 255.2315 3.9E2 256.2311 1.6E2 289.1353 1.6E2 324.2110 1.8E2 375.1304 1.1E2 397.1369 1.3E3 398.1424 2.6E2 415.1429 4.6E2 416.1552 2.9E2 505.1684 1.0E2 653.3710 5.8E2 654.3775 3.5E2 654.9467 1.2E2 663.3731 2.1E2 699.3884 2.4E2 699.4511 1.1E2 701.2186 1.7E2 701.3893 1.5E2 END IONS BEGIN IONS FEATURE_ID=11754 PEPMASS=308.2220 SCANS=11754 RTINSECONDS=2248.685 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0487 1.3E2 100.0854 1.4E2 130.9663 2.0E2 139.1141 1.9E2 166.1180 1.8E2 171.1005 2.4E2 174.9523 3.7E2 179.1431 3.6E2 181.1246 2.8E2 205.1532 1.9E2 211.1468 1.3E2 223.2062 1.5E2 235.1631 1.6E2 247.2075 1.7E2 267.2396 1.2E2 290.2081 1.5E2 291.1974 2.5E2 308.2180 4.6E2 309.2060 4.2E2 311.1669 1.4E2 311.2262 2.9E2 END IONS BEGIN IONS FEATURE_ID=11791 PEPMASS=449.2311 SCANS=11791 RTINSECONDS=2253.671 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 93.0387 1.2E2 95.7362 1.1E2 112.9829 1.2E2 117.0339 2.2E2 121.0657 2.6E2 179.0237 1.1E2 192.0507 2.8E2 209.0274 1.0E2 239.1947 1.3E2 242.0483 1.5E2 END IONS BEGIN IONS FEATURE_ID=11794 PEPMASS=385.2581 SCANS=11794 RTINSECONDS=2254.59 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 91.0377 2.1E2 249.2211 1.1E3 250.2258 1.5E2 293.2073 1.3E3 293.2856 1.2E2 294.2175 2.4E2 300.0591 1.6E2 311.2204 2.1E3 312.2251 7.3E2 349.2328 1.2E2 355.1903 1.0E2 385.0486 1.8E2 385.2527 2.9E2 386.2579 1.0E2 387.3158 1.2E2 END IONS BEGIN IONS FEATURE_ID=11800 PEPMASS=291.1957 SCANS=11800 RTINSECONDS=2255.302 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 96.9595 2.1E2 148.0490 1.8E2 192.1132 2.7E2 205.1239 1.9E2 220.1445 2.8E2 221.1576 3.0E2 END IONS BEGIN IONS FEATURE_ID=11803 PEPMASS=323.1856 SCANS=11803 RTINSECONDS=2255.671 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 80.0256 1.4E2 81.0703 1.1E2 97.0320 4.6E2 97.0633 2.8E2 122.0361 1.1E2 135.0435 1.3E2 136.0541 1.5E2 137.0604 1.7E3 138.0629 1.4E2 139.0628 2.7E2 151.1057 2.7E2 152.0822 1.2E3 153.0929 4.6E2 164.0801 1.6E2 165.0586 2.7E2 166.1577 1.1E2 175.0794 3.9E2 177.0130 2.5E2 177.0575 1.2E2 179.0758 2.3E2 183.0086 1.4E2 190.1055 1.6E2 192.0784 1.7E2 193.1101 1.6E2 207.0999 1.0E2 209.1659 1.0E2 219.0668 2.5E2 235.0917 1.1E2 251.0857 3.3E2 322.9778 1.1E2 END IONS BEGIN IONS FEATURE_ID=11814 PEPMASS=554.3014 SCANS=11814 RTINSECONDS=2257.057 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9612 1.0E3 152.9952 2.4E2 224.0677 6.6E2 242.0776 3.8E2 259.2041 1.4E2 279.2309 6.7E3 279.7450 1.4E2 280.2327 1.6E3 280.4006 1.5E2 280.8857 1.8E2 281.2340 1.7E2 357.2292 1.4E2 481.2134 2.4E2 504.3078 1.7E2 557.3119 1.8E2 END IONS BEGIN IONS FEATURE_ID=11829 PEPMASS=632.3177 SCANS=11829 RTINSECONDS=2257.057 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 112.9857 8.7E3 113.0547 1.9E2 113.0823 1.7E2 113.9936 2.5E2 116.9268 5.5E2 121.0310 1.2E2 137.0581 1.2E2 148.9494 1.0E2 153.7821 1.2E2 161.0222 1.1E2 171.0245 2.5E2 177.0551 2.0E2 181.0474 2.2E2 200.0798 1.3E2 203.0829 1.3E2 224.0623 1.8E2 251.0593 1.2E2 273.9991 1.4E2 302.0862 2.3E2 312.2280 1.4E2 319.3536 1.9E2 344.1125 1.5E2 364.2302 2.1E2 391.2244 1.4E2 391.2836 1.0E2 411.2326 2.1E2 446.2853 1.1E2 474.2625 1.9E2 487.2680 1.7E2 499.2779 1.4E2 504.2976 2.7E2 514.2368 1.3E2 547.2924 1.2E2 575.3803 1.4E2 632.4231 1.1E2 633.1971 1.6E2 633.3750 2.0E2 633.4171 1.7E2 634.3824 1.7E2 634.5737 1.5E2 635.3300 2.7E2 635.3878 1.4E2 635.4074 1.9E2 636.2967 1.0E2 665.7266 3.0E2 END IONS BEGIN IONS FEATURE_ID=11830 PEPMASS=564.3299 SCANS=11830 RTINSECONDS=2257.697 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 78.9582 3.9E2 152.9896 3.8E2 168.0421 1.4E2 224.0698 2.8E2 225.0764 1.7E2 242.0805 4.3E2 279.2342 4.0E3 280.2407 6.4E2 281.2291 1.7E2 END IONS BEGIN IONS FEATURE_ID=11856 PEPMASS=347.1982 SCANS=11856 RTINSECONDS=2260.674 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 85.0686 1.1E2 135.0596 1.1E2 233.5109 1.1E2 END IONS BEGIN IONS FEATURE_ID=11878 PEPMASS=559.3121 SCANS=11878 RTINSECONDS=2261.879 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 61.9873 2.0E2 89.0350 1.1E2 253.0911 4.5E2 253.1332 1.0E2 254.0935 1.3E2 265.1267 1.3E2 277.2168 3.7E3 277.3152 1.6E2 277.3639 1.6E2 278.2094 2.1E2 278.2182 2.8E2 279.1184 1.2E2 279.1516 1.8E2 375.1380 2.0E2 385.2541 1.0E2 390.1096 1.3E2 459.3189 1.8E2 474.5542 1.1E2 480.2128 1.9E2 492.3404 1.0E2 493.2433 1.3E2 515.3829 1.4E2 521.2560 2.1E2 537.9893 1.7E2 541.3871 1.1E2 559.3180 2.4E2 559.3562 1.1E2 560.3043 2.2E2 560.3445 2.9E2 561.3205 2.2E2 674.1252 1.4E2 END IONS BEGIN IONS FEATURE_ID=11879 PEPMASS=273.1501 SCANS=11879 RTINSECONDS=2263.04 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 106.0402 7.4E2 107.0452 7.0E2 150.0391 2.1E2 161.1010 1.6E2 205.0796 1.4E2 229.1616 8.4E2 229.2054 2.1E2 230.1578 1.6E2 286.6939 1.1E2 END IONS BEGIN IONS FEATURE_ID=11899 PEPMASS=315.2522 SCANS=11899 RTINSECONDS=2265.92 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (4 removed due to low quality, 1 removed due to low cosine). 61.9889 1.1E2 127.1105 1.8E2 141.1217 2.8E2 174.5026 1.6E2 204.0246 1.1E2 215.9825 1.4E2 340.4800 1.4E2 763.5083 1.0E2 END IONS BEGIN IONS FEATURE_ID=11910 PEPMASS=614.3307 SCANS=11910 RTINSECONDS=2265.45 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 72.9938 2.6E2 78.9596 1.0E3 88.9893 2.0E2 92.9238 1.0E2 152.9933 1.6E3 171.0334 1.5E2 179.0390 2.6E2 181.1523 1.0E2 194.0484 2.0E2 195.9589 1.1E2 196.0373 1.4E3 196.0998 1.3E2 197.0455 1.3E2 208.0533 1.4E2 249.0603 1.9E2 255.2331 1.3E4 256.2365 2.7E3 256.3388 1.2E2 256.3833 1.1E2 257.2407 1.5E2 257.3748 1.1E2 267.1281 1.0E2 268.0507 1.5E2 268.0631 1.7E2 281.0543 1.1E2 303.2125 1.4E2 323.1379 2.1E2 369.2744 1.1E2 374.9440 1.4E2 389.2721 1.7E2 452.2761 1.5E3 453.2735 3.5E2 454.2859 1.5E2 494.2831 2.4E2 500.1031 1.2E2 527.1268 1.1E2 END IONS BEGIN IONS FEATURE_ID=11938 PEPMASS=547.3128 SCANS=11938 RTINSECONDS=2270.392 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0116 2.0E2 85.0286 1.4E2 99.0083 2.4E2 113.0202 3.8E2 125.0937 1.3E2 141.1259 1.6E2 154.5452 1.2E2 155.1049 1.3E2 156.1053 2.6E2 171.0992 3.7E2 183.1258 2.2E2 249.0533 2.3E2 249.0971 1.2E2 279.2129 1.3E2 280.2357 1.2E2 297.2396 7.6E2 298.2578 2.3E2 299.2522 1.9E2 371.0649 1.5E2 392.1131 1.7E2 548.3221 2.2E2 990.7837 2.9E2 END IONS BEGIN IONS FEATURE_ID=11943 PEPMASS=845.4506 SCANS=11943 RTINSECONDS=2271.659 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 89.0247 3.9E2 125.0167 1.4E2 125.0974 3.5E2 143.0352 1.2E2 156.9831 1.1E2 169.0856 4.0E2 169.1278 1.7E2 179.0565 3.5E2 185.0410 1.3E2 187.0961 2.0E3 187.1549 2.1E2 187.1932 1.2E2 188.0978 2.5E2 212.9570 1.1E2 215.1665 1.1E2 221.0662 1.8E2 277.2222 3.1E2 338.0321 1.2E2 359.1229 1.3E2 395.1511 2.4E2 397.1500 1.4E2 415.1446 1.1E2 567.2309 2.3E2 585.2437 6.9E2 586.2357 4.3E2 587.2441 1.4E2 654.1740 1.7E2 665.3681 1.1E2 764.2230 1.1E2 845.3352 1.5E2 845.4581 1.6E3 845.6511 1.1E2 845.7193 1.3E2 846.4582 6.9E2 846.5520 2.1E2 847.4533 2.4E2 848.1433 1.1E2 848.3314 1.6E2 848.4180 2.4E2 END IONS BEGIN IONS FEATURE_ID=11958 PEPMASS=433.2592 SCANS=11958 RTINSECONDS=2271.659 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 4 (0 removed due to low quality, 1 removed due to low cosine). 73.0273 1.4E2 89.0301 1.2E2 102.9564 1.1E2 117.0349 8.2E2 118.0469 2.5E2 119.0503 1.4E2 144.8907 1.0E2 145.0280 1.0E4 145.1040 2.2E2 145.1122 1.2E2 145.1360 3.8E2 146.0294 1.4E2 146.0341 8.9E2 152.0311 1.8E2 160.0129 1.6E2 161.0870 1.4E2 163.0343 2.0E2 163.0391 8.1E2 207.1006 1.5E2 263.0686 1.4E2 269.2043 1.0E2 282.0472 1.1E2 285.2069 1.9E2 287.2173 1.6E3 287.2250 2.9E2 287.2821 1.6E2 299.0422 1.3E2 319.0877 1.9E2 344.0328 1.2E2 353.1763 2.2E2 367.2214 2.6E2 417.2679 1.3E2 433.2604 9.8E2 433.3277 4.1E2 434.2584 6.3E2 434.3213 1.0E2 435.2861 2.8E2 435.3097 1.2E2 436.1757 1.3E2 913.9364 1.7E2 END IONS BEGIN IONS FEATURE_ID=11985 PEPMASS=549.2834 SCANS=11985 RTINSECONDS=2275.698 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (4 removed due to low quality, 0 removed due to low cosine). 513.2863 1.2E2 549.2618 1.6E2 550.3048 1.3E2 END IONS BEGIN IONS FEATURE_ID=11986 PEPMASS=559.3115 SCANS=11986 RTINSECONDS=2275.698 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 3 (0 removed due to low quality, 0 removed due to low cosine). 71.0128 1.2E2 73.0324 2.9E2 84.0167 1.0E2 89.0252 2.1E2 90.0255 1.1E2 101.0254 3.3E2 119.0349 1.5E2 125.0926 1.7E2 138.0680 1.3E2 141.0561 1.1E2 142.1913 1.1E2 151.1438 2.7E2 157.0541 1.8E2 161.0365 1.6E2 161.0413 1.8E2 175.0800 1.0E2 188.6758 1.2E2 203.0308 2.3E2 235.0874 1.3E2 250.0542 1.7E2 253.0937 1.4E3 253.1517 1.4E2 254.0985 3.8E2 255.2307 1.2E2 277.2154 1.2E4 277.3214 1.1E2 277.3535 1.9E2 277.4053 1.2E2 277.5129 1.0E2 278.1642 1.8E2 278.2187 3.6E3 278.2968 1.5E2 278.5076 1.4E2 279.2176 3.9E2 279.2771 1.3E2 358.1393 1.5E2 380.8095 1.1E2 513.2947 2.1E2 515.2561 1.1E2 559.3103 1.0E2 560.3290 2.5E2 560.3843 1.3E2 END IONS BEGIN IONS FEATURE_ID=11988 PEPMASS=591.3871 SCANS=11988 RTINSECONDS=2274.033 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 78.9595 1.9E2 86.3237 1.2E2 89.0387 2.2E2 105.0357 1.4E2 117.0498 2.6E2 122.8961 1.1E2 132.0640 1.3E2 134.0383 5.6E2 135.0417 4.2E2 147.0387 2.0E2 152.9907 9.5E2 161.0229 1.1E4 161.0615 1.2E2 161.0829 2.3E2 161.0884 2.0E2 161.1061 2.6E2 161.1401 2.7E2 162.0242 1.0E3 162.0300 2.6E2 162.0698 1.2E2 163.0234 1.6E2 169.1195 1.9E2 179.0265 1.3E2 179.0349 3.6E2 183.1099 1.2E2 204.0703 1.1E2 216.9541 1.0E2 222.9956 1.6E2 223.1268 1.6E2 224.9919 1.2E2 225.1132 1.0E2 228.1957 1.4E2 234.0534 1.3E2 235.0630 1.0E2 241.0158 1.2E2 261.0311 1.1E2 265.1408 1.3E2 277.1993 2.4E2 277.2168 3.9E2 278.2171 1.3E2 279.2310 1.9E2 295.2241 1.3E2 315.0429 1.0E2 325.1087 1.5E2 340.2089 1.9E2 355.3204 9.7E2 355.3366 1.9E2 357.4498 1.1E2 384.1133 1.7E2 412.3776 1.1E2 425.0614 1.2E2 431.3410 1.6E2 432.3712 1.6E2 457.3327 1.4E2 499.3421 3.3E3 500.3479 1.8E3 500.4234 1.4E2 501.3439 3.4E2 513.1646 1.4E2 517.3488 1.6E3 517.4265 1.1E2 517.4779 1.1E2 518.3500 2.4E2 518.3675 3.9E2 518.6069 1.0E2 547.3669 1.3E2 547.7711 2.3E2 591.2114 1.0E2 591.2569 2.0E2 591.3845 3.3E3 591.4603 1.3E2 591.6019 1.2E2 591.8616 1.2E2 592.3886 2.5E3 592.5047 2.4E2 592.6050 1.1E2 592.7950 1.4E2 593.1439 1.1E2 593.3260 7.4E2 593.3484 1.2E2 593.3890 3.1E2 594.2780 2.1E2 594.3736 1.6E2 595.2712 1.1E2 595.4908 1.7E2 656.5266 1.4E2 END IONS BEGIN IONS FEATURE_ID=12011 PEPMASS=540.3318 SCANS=12011 RTINSECONDS=2280.43 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 2 (0 removed due to low quality, 0 removed due to low cosine). 79.9546 1.4E2 107.0540 1.1E2 111.0780 1.3E2 152.9918 2.6E2 169.0763 1.1E2 183.0933 1.1E2 224.0619 1.2E2 238.9749 1.2E2 242.0748 2.0E2 255.2327 5.0E3 255.3761 3.0E2 255.4481 1.3E2 256.2328 9.3E2 256.2684 2.0E2 257.0374 1.5E2 257.2526 1.0E2 267.1306 1.1E2 281.0983 1.0E2 331.0792 1.7E2 339.1924 1.2E2 347.0207 1.2E2 347.1490 1.1E2 352.8995 2.4E2 478.2971 1.0E2 480.3107 2.3E3 481.3144 9.1E2 482.3128 2.4E2 541.3383 1.0E2 541.3999 1.5E2 544.2197 1.1E2 END IONS BEGIN IONS FEATURE_ID=12039 PEPMASS=699.3813 SCANS=12039 RTINSECONDS=2281.049 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 71.0158 1.0E3 73.0287 4.8E2 75.0035 1.9E2 80.9730 1.2E2 81.0358 1.1E2 83.0108 2.5E2 85.0272 4.9E2 87.0089 5.2E2 87.0436 2.5E2 89.0242 2.9E3 89.0548 2.5E2 89.1106 1.0E2 90.0251 2.3E2 91.0333 1.0E2 97.0316 1.3E2 101.0235 1.9E3 113.0249 7.1E2 118.0497 1.3E2 119.0346 1.4E3 121.0407 1.6E2 125.0246 8.9E2 133.0525 1.5E2 137.0207 1.7E2 143.0328 7.0E2 161.0370 3.1E2 161.0431 4.4E2 162.0421 2.3E2 169.0451 2.1E2 179.0525 1.2E2 185.0419 2.4E2 217.0624 1.0E2 221.0569 2.0E2 221.0619 2.7E2 235.0799 3.8E2 236.0878 1.9E2 255.2301 6.0E3 255.2817 5.2E2 255.3768 2.1E2 256.2328 1.7E3 256.2836 1.4E2 257.2336 1.1E2 269.2422 2.1E2 397.1304 1.4E3 398.1409 2.2E2 398.1584 1.5E2 415.1443 1.4E2 415.1542 1.3E2 416.1480 3.3E2 447.1604 1.6E2 615.3031 1.1E2 696.3580 1.1E2 END IONS BEGIN IONS FEATURE_ID=12043 PEPMASS=653.3741 SCANS=12043 RTINSECONDS=2281.21 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 10 (6 removed due to low quality, 3 removed due to low cosine). 71.0137 1.3E2 89.0245 1.3E3 89.0724 1.2E2 97.0271 2.4E2 101.0254 6.1E2 113.0259 1.0E2 125.0245 4.6E2 133.0515 1.7E2 139.0380 2.7E2 149.0455 1.6E2 161.0438 2.6E2 161.0709 1.1E2 169.0477 1.2E2 179.0559 4.3E2 231.1679 1.1E2 235.0770 3.8E2 253.0893 1.6E2 255.2316 2.7E3 255.3792 1.9E2 256.2342 1.0E3 277.0845 2.6E2 293.2152 1.6E2 380.1289 1.6E2 397.1341 1.4E2 END IONS BEGIN IONS FEATURE_ID=12044 PEPMASS=689.3510 SCANS=12044 RTINSECONDS=2281.21 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (6 removed due to low quality, 1 removed due to low cosine). 85.0285 1.3E2 102.9545 2.3E2 119.0349 1.5E2 245.0764 1.1E2 307.1894 1.6E2 689.1899 1.0E2 945.0286 1.4E2 END IONS BEGIN IONS FEATURE_ID=12065 PEPMASS=255.1966 SCANS=12065 RTINSECONDS=2282.927 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 71.0497 2.2E2 155.1475 1.2E2 187.0329 1.3E2 189.3463 1.4E2 255.2001 1.4E2 256.1961 1.5E2 END IONS BEGIN IONS FEATURE_ID=12075 PEPMASS=285.2071 SCANS=12075 RTINSECONDS=2282.927 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 96.9621 9.2E2 223.2078 7.7E2 223.2634 1.3E2 224.2124 5.9E2 267.1946 1.3E3 267.2717 1.1E2 268.2086 2.1E2 285.2063 6.4E2 285.2898 1.0E2 END IONS BEGIN IONS FEATURE_ID=12076 PEPMASS=315.2532 SCANS=12076 RTINSECONDS=2283.475 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 171.1290 1.3E2 172.1442 1.2E2 205.1138 1.6E2 239.2008 1.3E2 253.2432 1.2E2 297.2413 5.7E2 311.2338 1.1E2 313.2338 4.7E2 315.2526 3.6E3 315.3455 4.4E2 316.2531 1.1E3 316.3237 1.4E2 317.2663 2.6E2 END IONS BEGIN IONS FEATURE_ID=12121 PEPMASS=293.1950 SCANS=12121 RTINSECONDS=2287.774 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.9969 1.9E2 79.9555 1.6E2 92.9219 1.5E2 95.9523 1.6E2 95.9923 1.0E2 96.9593 7.9E2 104.0502 1.7E2 148.0489 3.8E2 149.0571 4.0E2 163.0716 1.9E2 176.0830 1.4E2 177.0888 1.7E2 193.0567 1.1E2 194.0195 1.0E2 205.1199 8.0E2 217.0928 1.1E2 220.1458 2.1E2 221.1529 5.3E2 221.1991 1.1E2 222.1585 1.2E2 END IONS BEGIN IONS FEATURE_ID=12123 PEPMASS=293.2106 SCANS=12123 RTINSECONDS=2287.948 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 72.1026 1.2E2 81.0690 1.6E2 121.1003 2.3E2 163.1422 1.3E2 171.0987 4.5E2 183.1374 1.1E3 211.1341 1.0E2 231.2047 1.9E2 235.1712 1.1E3 236.1827 1.0E2 237.1807 1.0E2 238.4285 1.3E2 275.1959 1.2E3 276.2057 6.4E2 293.2122 4.1E2 294.2152 1.4E2 END IONS BEGIN IONS FEATURE_ID=12133 PEPMASS=609.4099 SCANS=12133 RTINSECONDS=2288.692 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0084 1.8E2 87.0087 2.7E2 95.0557 1.1E2 113.0163 1.3E2 121.0979 1.9E2 125.0964 2.4E2 144.9210 1.5E2 150.0611 2.6E2 169.1301 1.0E2 171.1007 1.1E2 184.1426 1.2E2 195.1403 1.2E2 196.1494 1.1E2 207.0484 1.3E2 217.0808 2.3E2 221.1151 2.5E2 223.1287 1.7E2 224.1396 3.6E2 246.1200 7.7E2 246.1840 1.0E2 247.1296 2.1E2 247.2011 1.0E2 293.2118 8.7E2 294.2135 3.8E2 322.1439 1.6E2 431.3248 1.2E2 594.3913 1.1E2 609.2616 1.2E2 END IONS BEGIN IONS FEATURE_ID=12144 PEPMASS=460.3272 SCANS=12144 RTINSECONDS=2290.398 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9631 2.0E2 96.9619 1.6E2 145.0478 1.4E2 152.9921 1.5E2 174.9523 1.5E2 217.1186 1.0E2 267.0882 1.2E2 279.2039 1.5E2 291.1631 1.5E2 326.2684 1.2E2 371.2559 1.1E2 403.1474 1.1E2 405.1968 1.0E2 442.3187 2.1E2 443.3132 1.9E2 460.3266 1.6E3 461.3216 8.1E2 461.3880 1.2E2 462.3478 1.5E2 463.2488 1.1E2 464.2714 1.8E2 736.3440 2.2E2 END IONS BEGIN IONS FEATURE_ID=12146 PEPMASS=361.1985 SCANS=12146 RTINSECONDS=2289.095 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (1 removed due to low quality, 1 removed due to low cosine). 95.0562 2.9E2 177.1229 1.2E2 END IONS BEGIN IONS FEATURE_ID=12155 PEPMASS=591.3888 SCANS=12155 RTINSECONDS=2289.499 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 122.9831 1.0E2 124.0462 1.6E2 138.6707 1.4E2 161.0220 3.6E3 161.1026 1.3E2 161.1408 1.1E2 162.0255 6.3E2 162.3688 1.2E2 163.0285 2.0E2 164.0650 1.6E2 167.0670 2.6E2 179.0249 1.1E2 183.1449 1.2E2 197.0192 1.5E2 225.0057 1.2E2 303.2089 1.4E2 319.0550 1.2E2 324.1627 1.0E2 325.2020 1.5E2 351.1915 1.3E2 355.3227 2.0E2 431.3587 4.9E2 473.1327 1.4E2 499.3381 1.6E3 499.4470 1.2E2 500.3397 1.3E2 500.3529 5.3E2 500.9861 1.0E2 502.4725 1.2E2 517.3477 9.9E2 518.3492 5.7E2 556.8256 1.4E2 557.3496 2.0E2 591.3866 2.8E3 591.5458 1.9E2 591.9979 1.2E2 592.3904 1.3E3 592.6642 1.4E2 593.2872 1.6E2 593.3948 3.2E2 594.2650 1.8E2 594.2780 1.0E2 594.3786 1.2E2 595.4156 1.0E2 801.0162 1.2E2 END IONS BEGIN IONS FEATURE_ID=12169 PEPMASS=417.2997 SCANS=12169 RTINSECONDS=2290.983 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 102.9551 2.2E2 149.0555 1.6E2 343.2591 1.9E2 355.2568 2.1E2 357.2777 4.5E2 358.2735 1.2E2 371.3016 2.0E2 372.2965 1.1E2 373.3126 2.1E3 373.4719 1.0E2 374.3156 4.8E2 374.4311 1.1E2 399.2881 2.2E2 417.2977 7.8E2 845.9010 2.0E2 END IONS BEGIN IONS FEATURE_ID=12193 PEPMASS=313.2369 SCANS=12193 RTINSECONDS=2293.096 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 127.1121 1.8E2 141.1235 1.3E2 157.0809 2.4E2 406.0258 1.1E2 END IONS BEGIN IONS FEATURE_ID=12229 PEPMASS=530.3015 SCANS=12229 RTINSECONDS=2297.473 CHARGE=1- MSLEVEL=2 MERGED_STATS=3 / 10 (0 removed due to low quality, 7 removed due to low cosine). 78.9593 1.5E3 78.9880 1.3E2 89.0241 1.8E2 126.0455 2.6E2 130.0826 2.4E2 137.0596 2.6E2 168.0411 4.9E2 169.0872 1.3E2 184.5923 1.3E2 217.1182 1.1E2 224.0653 9.4E2 224.0708 9.9E2 224.1239 1.1E2 236.0650 1.1E2 242.0626 1.0E2 242.0727 1.2E2 242.0787 2.5E2 253.2405 1.0E2 254.0918 1.2E2 255.2316 1.4E4 255.3572 2.3E2 255.3724 1.6E2 255.4382 1.0E2 255.6444 1.0E2 256.2338 3.3E3 256.3766 1.2E2 256.6567 1.2E2 257.2358 1.8E2 258.0818 1.8E2 279.2235 2.6E2 326.2643 1.8E2 415.2724 1.1E2 437.2798 1.6E2 459.3154 1.0E2 459.3598 1.0E2 465.3573 1.3E2 476.3361 1.6E2 480.3077 4.0E3 480.4463 2.1E2 480.5099 2.1E2 480.5633 1.2E2 480.7241 1.1E2 481.3106 1.4E3 482.3075 1.8E2 488.3094 1.3E2 489.3488 1.4E2 515.3100 1.0E2 530.3131 1.1E2 530.9783 2.0E2 533.1114 1.3E2 533.2463 1.1E2 533.3325 3.5E2 647.8964 1.1E2 END IONS BEGIN IONS FEATURE_ID=12230 PEPMASS=540.3297 SCANS=12230 RTINSECONDS=2297.473 CHARGE=1- MSLEVEL=2 MERGED_STATS=9 / 9 (0 removed due to low quality, 0 removed due to low cosine). 78.9582 2.4E3 114.0586 1.1E2 116.4572 1.1E2 134.5484 1.3E2 136.0894 1.2E2 152.9926 1.8E3 168.0382 7.4E2 168.0424 9.6E2 169.0327 1.2E2 187.9714 1.8E2 194.0514 1.1E2 224.0602 2.1E2 224.0673 4.1E3 224.0692 7.9E2 224.1361 1.3E2 225.0646 2.3E2 225.0712 2.2E2 237.2169 2.1E2 242.0794 9.9E2 242.0879 2.9E2 242.3800 1.0E2 254.1604 1.1E2 255.2316 4.9E4 255.3111 3.4E2 255.3786 1.8E2 255.4177 1.4E2 255.8328 1.8E2 256.0938 1.5E2 256.2276 5.9E2 256.2365 9.2E3 256.2708 2.0E2 256.2864 1.5E2 256.2974 1.6E2 256.3131 2.9E2 256.3255 1.0E2 256.3510 1.2E2 256.3770 1.2E2 256.4876 1.2E2 256.5091 1.1E2 256.6700 1.2E2 256.7890 1.1E2 257.2274 3.4E2 257.2377 4.2E2 257.2457 3.5E2 279.2418 1.4E2 311.1600 1.2E2 361.2580 1.0E2 381.2930 1.1E2 397.2645 1.9E2 409.2262 1.5E2 431.3501 1.1E2 455.2985 1.1E2 472.3315 1.2E2 475.3375 1.4E2 480.3089 1.9E4 481.0030 1.1E2 481.3091 8.1E3 481.4357 1.9E2 481.4746 1.1E2 481.5065 1.0E2 481.5865 1.0E2 482.3048 3.9E2 482.3160 9.8E2 482.6045 1.1E2 483.3085 1.0E2 483.3241 1.2E2 486.0777 1.2E2 539.6344 1.1E2 540.3322 3.4E2 541.2363 1.0E2 541.3344 2.7E2 542.3410 2.6E2 563.9047 1.1E2 END IONS BEGIN IONS FEATURE_ID=12232 PEPMASS=608.3175 SCANS=12232 RTINSECONDS=2297.944 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (2 removed due to low quality, 0 removed due to low cosine). 112.9855 5.1E3 113.0805 1.8E2 113.1246 1.1E2 113.9862 2.3E2 116.9261 4.1E2 230.0130 2.6E2 234.1037 1.2E2 241.0155 1.0E2 292.9855 1.3E2 293.2196 1.3E2 294.2089 1.9E2 325.2347 1.2E2 439.0106 1.1E2 459.2392 2.3E2 593.2335 1.0E2 608.2853 1.6E2 609.3305 2.8E2 610.3434 1.2E2 611.3170 1.5E2 END IONS BEGIN IONS FEATURE_ID=12310 PEPMASS=679.3911 SCANS=12310 RTINSECONDS=2305.347 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 69.0598 1.5E2 71.0170 3.2E2 85.0372 1.5E2 87.0053 1.0E2 89.0262 3.3E2 97.0291 1.3E2 98.1258 2.4E2 101.0248 6.8E2 102.0248 1.3E2 107.0494 1.2E2 113.0201 5.0E2 119.0355 5.9E2 119.0692 1.0E2 120.0288 1.4E2 125.0233 1.4E2 128.0659 2.1E2 133.0487 1.4E2 179.0282 1.3E2 193.9306 1.2E2 213.9419 1.2E2 221.0632 1.3E2 231.1485 1.6E2 235.0785 3.7E2 268.2433 1.5E2 281.2469 1.9E3 282.2502 3.2E2 383.3367 1.1E2 397.1358 2.8E2 590.2036 1.1E2 635.3885 1.3E2 680.6107 1.0E2 END IONS BEGIN IONS FEATURE_ID=12312 PEPMASS=725.3964 SCANS=12312 RTINSECONDS=2305.347 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (0 removed due to low quality, 7 removed due to low cosine). 71.0154 2.1E2 82.0313 1.1E2 83.0514 1.2E2 89.0251 1.2E3 97.0287 3.9E2 101.0246 5.4E2 113.0238 2.5E2 119.0328 3.8E2 126.0990 1.7E2 157.0813 2.1E2 225.1946 1.0E2 235.0863 1.8E2 264.2374 1.3E2 281.2503 1.5E3 282.0138 1.3E2 282.2515 4.5E2 395.8140 1.1E2 397.1302 8.2E2 399.1265 1.1E2 415.1395 1.2E2 417.1444 1.1E2 523.3131 1.0E2 726.4459 1.0E2 728.3233 1.1E2 END IONS BEGIN IONS FEATURE_ID=12352 PEPMASS=293.2106 SCANS=12352 RTINSECONDS=2310.42 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 83.0498 1.3E2 96.9573 1.8E2 99.0424 1.8E2 129.0609 1.4E2 163.1474 1.5E2 177.1569 1.4E2 183.0970 2.3E2 183.1337 1.7E2 195.1276 2.3E2 221.1572 3.3E2 236.1002 2.5E2 251.1947 1.1E2 276.2128 1.8E2 277.2217 3.9E2 293.2138 3.2E2 295.2253 1.9E2 END IONS BEGIN IONS FEATURE_ID=12366 PEPMASS=271.2267 SCANS=12366 RTINSECONDS=2311.005 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (2 removed due to low quality, 0 removed due to low cosine). 118.9340 1.5E2 133.2287 1.4E2 143.9954 1.9E2 183.1666 1.1E2 197.1510 1.5E2 253.2111 2.0E2 269.2052 3.0E2 271.2291 2.4E3 271.3374 1.5E2 271.4180 1.1E2 272.2305 3.4E2 END IONS BEGIN IONS FEATURE_ID=12371 PEPMASS=405.2742 SCANS=12371 RTINSECONDS=2311.818 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 1 (0 removed due to low quality, 0 removed due to low cosine). 84.0467 4.2E2 101.0733 7.0E2 109.0412 4.1E2 126.9840 1.6E2 127.0493 5.2E2 128.0301 2.5E2 128.1088 1.4E2 130.0882 1.2E3 130.1918 1.4E2 145.0633 2.6E2 241.1879 1.3E2 271.2215 2.3E2 277.2548 1.1E2 409.2439 1.4E2 END IONS BEGIN IONS FEATURE_ID=12437 PEPMASS=311.2222 SCANS=12437 RTINSECONDS=2317.578 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 174.9539 5.7E2 174.9996 1.0E2 249.2212 5.0E3 249.3016 2.2E2 249.5406 1.2E2 249.5505 1.5E2 250.2243 1.4E3 250.2717 1.8E2 250.3306 1.1E2 251.2298 1.2E2 267.2370 1.9E2 268.2486 1.5E2 276.9582 2.5E2 293.2116 2.7E3 294.2059 1.4E2 294.2190 3.5E2 295.2133 1.5E2 311.2229 2.2E3 311.2805 1.5E2 312.2189 8.4E2 END IONS BEGIN IONS FEATURE_ID=12451 PEPMASS=329.1884 SCANS=12451 RTINSECONDS=2318.811 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 151.4438 1.0E2 221.1444 1.0E2 223.1693 3.2E2 249.2152 1.6E2 276.2088 3.1E2 293.2074 1.9E2 294.2144 1.7E2 END IONS BEGIN IONS FEATURE_ID=12452 PEPMASS=293.2105 SCANS=12452 RTINSECONDS=2318.811 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0548 2.2E2 112.9054 1.2E2 131.0334 1.2E2 157.0854 1.2E2 205.1187 2.7E2 END IONS BEGIN IONS FEATURE_ID=12469 PEPMASS=577.2692 SCANS=12469 RTINSECONDS=2319.813 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 71.0121 2.3E2 78.9846 1.8E2 79.9561 2.6E2 80.9683 9.9E2 88.0151 1.4E2 101.0220 6.0E2 121.0290 1.4E2 134.9721 1.3E2 136.0458 1.6E2 138.9707 1.8E2 152.9887 5.5E2 164.9846 9.9E2 165.0393 1.2E2 207.0000 1.4E2 216.0346 1.1E2 225.0034 7.7E2 226.0134 1.2E2 227.0096 1.4E2 255.2324 1.3E2 299.0383 1.1E2 315.0847 1.1E2 423.2778 1.7E2 469.1734 2.1E2 577.2644 5.8E2 578.2593 3.2E2 579.2608 2.8E2 END IONS BEGIN IONS FEATURE_ID=12479 PEPMASS=687.5748 SCANS=12479 RTINSECONDS=2319.993 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 68.9962 1.4E2 71.0136 1.2E2 100.9337 1.2E2 101.0167 1.7E2 111.0770 1.6E2 123.0020 2.3E2 126.1050 1.4E2 134.9567 2.7E2 177.0454 1.9E2 265.1245 1.4E2 319.2488 1.2E2 356.8336 1.6E2 389.3006 1.0E2 393.0960 1.8E2 410.3572 1.8E2 443.3117 1.2E2 464.2417 1.9E2 505.2193 1.6E2 619.3260 1.1E2 627.5617 1.8E2 636.4167 1.4E2 642.5522 3.2E2 691.5683 1.2E2 END IONS BEGIN IONS FEATURE_ID=12490 PEPMASS=556.3193 SCANS=12490 RTINSECONDS=2322.034 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 107.0094 1.3E2 113.0247 1.4E2 210.0609 1.0E2 217.1576 1.6E2 218.0238 1.3E2 224.0682 1.2E2 242.0867 2.0E2 277.2212 1.6E2 281.2480 1.4E3 281.3930 1.0E2 282.2514 7.4E2 331.2175 1.2E2 338.2503 1.7E2 415.2936 1.2E2 428.2134 1.5E2 487.2117 2.2E2 491.1718 1.2E2 492.2591 2.6E2 506.3242 1.7E3 506.4858 1.1E2 507.3315 1.1E3 508.3351 3.4E2 514.2785 1.2E2 521.3511 2.4E2 521.4225 1.0E2 557.2512 3.9E2 557.3227 2.5E2 558.2497 2.7E2 558.3297 2.0E2 558.4178 1.2E2 559.3937 4.0E2 END IONS BEGIN IONS FEATURE_ID=12491 PEPMASS=566.3462 SCANS=12491 RTINSECONDS=2321.533 CHARGE=1- MSLEVEL=2 MERGED_STATS=7 / 10 (0 removed due to low quality, 3 removed due to low cosine). 67.0033 2.7E2 69.2087 1.3E2 71.0122 1.6E2 73.0314 1.3E2 78.9597 2.3E3 79.3831 1.2E2 88.0432 1.1E2 96.0475 1.0E2 96.9677 1.5E2 97.0664 1.3E2 101.0602 1.9E2 106.0397 1.0E2 149.0372 1.4E2 150.0502 1.7E2 152.9883 3.5E2 152.9937 4.7E2 153.0005 1.2E2 153.8847 1.2E2 159.0324 2.0E2 168.0440 5.9E2 171.0005 2.6E2 183.0988 1.1E2 195.1446 1.1E2 199.1239 1.1E2 201.1162 1.7E2 206.9073 1.0E2 223.0881 1.4E2 224.0673 2.5E3 224.0735 2.2E2 224.1179 1.4E2 225.0668 2.6E2 227.1633 1.1E2 239.9831 1.1E2 240.0983 1.4E2 242.0708 2.7E2 242.0785 2.8E2 242.0866 1.1E2 281.2468 2.9E4 281.3282 2.2E2 281.3937 3.1E2 281.6231 1.4E2 281.7571 1.1E2 281.8525 1.5E2 282.0061 1.1E2 282.2509 7.4E3 282.2564 5.2E2 283.2432 1.2E2 283.2492 7.3E2 284.2622 1.1E2 294.0589 1.3E2 295.1502 1.2E2 350.2629 1.0E2 369.0653 1.0E2 383.1164 1.4E2 399.3335 1.4E2 481.2917 1.3E2 502.0292 1.1E2 506.3251 7.6E3 506.5199 2.8E2 506.5737 2.0E2 507.1575 1.0E2 507.1824 1.0E2 507.3271 3.8E3 507.4632 2.7E2 507.8659 1.2E2 507.9799 1.4E2 508.3318 1.2E3 508.4086 1.6E2 566.3480 4.4E2 567.2774 1.6E2 569.3090 1.8E2 569.3583 1.6E2 759.3571 1.2E2 810.1209 1.2E2 END IONS BEGIN IONS FEATURE_ID=12517 PEPMASS=579.3381 SCANS=12517 RTINSECONDS=2325.674 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0133 4.2E2 81.0321 1.1E2 83.0116 3.4E2 85.0267 1.8E2 87.0083 2.1E2 89.0245 2.6E2 95.0108 2.6E2 101.0249 4.0E2 113.0214 7.4E2 114.0269 1.5E2 141.0167 1.9E2 152.9921 2.5E2 170.0929 1.1E2 211.1087 1.3E2 255.2302 9.4E2 256.2398 1.6E2 263.9266 1.6E2 269.2447 5.1E2 270.2434 1.5E2 317.1979 1.8E2 323.2369 1.4E2 363.1660 1.4E2 403.2718 2.5E2 581.2165 1.1E2 END IONS BEGIN IONS FEATURE_ID=12611 PEPMASS=295.2268 SCANS=12611 RTINSECONDS=2329.302 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 9 (8 removed due to low quality, 0 removed due to low cosine). 60.0152 1.3E2 113.0940 1.6E2 142.4407 1.3E2 171.1021 3.2E2 172.1030 1.4E2 182.1310 3.1E2 195.1383 1.4E3 196.1451 1.6E2 253.2197 3.1E2 277.1485 1.4E2 277.2170 1.3E3 278.2118 2.9E2 295.2279 2.1E3 296.2277 1.0E3 296.4671 1.3E2 540.8849 1.5E2 END IONS BEGIN IONS FEATURE_ID=12612 PEPMASS=363.2150 SCANS=12612 RTINSECONDS=2328.591 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 95.0507 1.7E2 139.4776 1.4E2 141.0981 1.1E2 181.1185 1.5E2 183.1372 1.0E2 195.1336 1.4E2 196.1316 1.9E2 960.1443 2.6E2 END IONS BEGIN IONS FEATURE_ID=12619 PEPMASS=221.1533 SCANS=12619 RTINSECONDS=2330.724 CHARGE=1- MSLEVEL=2 221.1514 1.5E3 221.2390 1.1E2 221.2880 1.2E2 221.5011 1.0E2 222.1551 2.4E2 223.1553 1.3E2 406.2221 1.3E2 END IONS BEGIN IONS FEATURE_ID=12639 PEPMASS=479.2792 SCANS=12639 RTINSECONDS=2333.279 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.0622 1.8E2 118.9420 1.7E2 125.1007 1.3E2 135.0408 1.2E2 152.9935 1.5E2 165.0892 1.2E2 196.8987 2.6E2 205.1152 1.8E2 206.1609 1.8E2 235.1286 1.3E2 255.2263 1.1E2 339.1581 2.3E2 359.1992 2.0E2 407.2629 1.6E2 408.2605 1.7E2 412.2509 1.3E2 420.0529 1.3E2 423.2496 2.0E2 435.4717 1.4E2 451.2956 1.7E2 479.2816 3.1E3 479.4842 1.3E2 479.5458 1.4E2 479.9959 1.1E2 480.2788 1.4E3 481.2700 3.4E2 END IONS BEGIN IONS FEATURE_ID=12641 PEPMASS=551.3009 SCANS=12641 RTINSECONDS=2330.993 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 200.0685 1.5E2 209.0747 4.0E2 255.2382 1.3E2 436.3017 1.8E2 484.3656 2.9E2 551.2973 1.5E2 551.4742 1.5E2 553.3819 1.0E2 554.2323 1.6E2 554.3798 1.6E2 END IONS BEGIN IONS FEATURE_ID=12642 PEPMASS=561.3276 SCANS=12642 RTINSECONDS=2330.993 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 7 (0 removed due to low quality, 5 removed due to low cosine). 71.0132 2.4E2 89.0246 3.5E2 93.0280 1.1E2 101.0212 1.3E2 116.0685 1.3E2 125.0958 1.2E2 151.0277 1.6E2 179.0583 1.1E2 181.1277 1.2E2 201.1105 1.3E2 235.0776 1.7E2 235.1217 1.0E2 252.4528 1.2E2 253.0902 9.1E2 254.0988 2.1E2 255.0513 2.6E2 269.0841 1.3E2 279.1273 2.0E2 279.2335 5.7E3 279.3141 3.5E2 279.3807 1.8E2 279.6108 1.2E2 280.2344 2.7E3 280.3491 1.0E2 281.2364 1.3E2 312.2191 1.3E2 519.4892 1.5E2 END IONS BEGIN IONS FEATURE_ID=12707 PEPMASS=353.1946 SCANS=12707 RTINSECONDS=2337.559 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.9986 1.9E2 81.0705 1.6E2 95.0482 1.1E2 96.9575 2.0E2 97.0655 7.8E2 125.0622 1.8E2 133.1001 2.0E2 143.0711 1.4E2 151.1073 3.0E2 156.0978 1.0E2 955.1442 2.7E2 END IONS BEGIN IONS FEATURE_ID=12738 PEPMASS=856.6494 SCANS=12738 RTINSECONDS=2339.032 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0128 1.7E2 72.0167 1.3E2 72.0435 1.6E2 89.0234 1.5E3 89.0542 2.0E2 95.0122 2.8E2 101.0284 9.0E2 102.0251 1.2E2 103.0366 1.7E2 106.6559 1.5E2 113.0236 1.7E2 119.0301 2.3E2 125.0183 1.3E2 143.0277 2.1E2 144.9903 1.1E2 210.1924 1.3E2 255.2242 1.5E2 264.0584 1.3E2 273.1935 1.2E2 281.2369 1.2E2 293.1896 1.3E2 299.0321 1.8E2 308.9779 1.0E2 344.2170 1.2E2 351.3256 3.9E2 389.0933 1.3E2 396.3592 1.4E2 397.3460 1.1E2 437.9748 1.2E2 452.3714 5.2E2 453.3701 2.7E2 497.3598 5.1E2 498.3607 2.8E2 499.3831 1.8E2 603.2118 1.5E2 612.3175 2.2E2 696.6119 1.4E2 734.4473 2.5E2 777.5340 2.2E2 792.5477 1.2E2 799.5010 1.4E2 813.6796 1.2E2 860.5264 2.7E2 END IONS BEGIN IONS FEATURE_ID=12744 PEPMASS=967.5625 SCANS=12744 RTINSECONDS=2340.629 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 71.0144 6.3E2 73.0279 1.1E2 75.0110 1.2E2 84.0079 2.5E2 84.0424 1.4E2 89.0240 1.2E3 89.0311 1.6E2 91.0386 1.6E2 99.0081 1.4E2 101.0258 3.7E2 102.0238 1.2E2 109.0367 1.1E2 113.0243 4.1E2 119.0325 5.8E2 121.0980 1.4E2 125.0240 1.8E2 126.0649 1.5E2 131.0360 3.9E2 133.0070 1.7E2 143.0317 2.7E2 144.1124 1.5E2 161.0411 1.6E2 167.0360 1.8E2 168.0319 1.5E2 171.0992 6.4E2 177.0721 1.0E2 179.0498 4.1E2 179.0576 4.0E2 183.0196 1.2E2 195.0301 1.6E2 195.1339 3.8E2 195.1468 1.3E2 196.1426 1.1E2 212.1368 1.0E2 221.0708 2.1E2 221.0759 1.1E2 223.1243 1.5E2 224.1355 1.5E2 224.1467 4.4E2 232.1197 1.8E2 235.0820 4.4E2 235.0855 1.7E2 235.1707 1.8E2 235.1823 1.4E2 236.1788 1.4E2 253.0925 2.5E2 255.2191 2.0E2 265.0995 1.0E2 275.1993 1.6E3 275.2057 2.9E2 275.2497 1.8E2 276.2033 1.1E2 283.1318 1.2E2 283.2550 1.2E2 287.2162 2.6E2 290.4468 1.1E2 291.2002 1.2E2 292.2621 1.7E2 293.2109 1.9E4 293.3034 2.4E2 293.3268 2.3E2 293.3559 3.4E2 293.3685 5.8E2 293.4217 1.1E2 293.9914 1.1E2 294.1510 1.3E2 294.2128 3.7E3 294.2696 2.2E2 294.2867 1.3E2 294.3645 1.2E2 295.2071 1.8E2 295.2138 4.3E2 295.4691 1.1E2 298.8996 1.2E2 303.2575 1.3E2 309.1750 1.2E2 309.2024 2.5E2 311.0666 2.7E2 316.2620 1.4E2 317.1004 2.4E2 335.2209 1.0E2 341.0805 1.4E2 341.9700 1.1E2 345.1630 1.7E2 362.0866 1.3E2 397.0596 1.0E2 397.1303 3.3E3 398.1304 4.1E2 398.1469 3.0E2 415.1413 1.7E3 415.1937 1.0E2 416.1378 5.4E2 416.1467 1.4E2 430.2484 1.3E2 447.2702 1.3E2 477.2352 1.2E2 477.2585 1.5E2 497.3627 1.7E2 498.3828 1.1E2 511.2841 1.4E2 527.2887 1.1E2 553.4816 2.5E2 597.7548 1.1E2 616.2029 1.6E2 623.2877 1.2E2 641.2719 1.6E2 673.3195 1.0E2 673.3354 7.8E2 673.4299 1.1E2 674.3425 3.8E2 675.3427 1.1E2 691.3297 2.1E2 691.3530 1.2E3 692.3545 5.8E2 692.4128 1.7E2 712.4347 1.4E2 761.4351 1.7E2 807.4551 1.4E2 949.4547 2.0E2 950.5819 1.3E2 951.4850 1.5E2 967.5571 1.7E3 967.7669 1.0E2 968.2882 1.7E2 968.5604 9.9E2 968.7368 1.2E2 969.5301 2.4E2 969.5541 4.7E2 969.5864 1.9E2 969.6848 2.5E2 969.7431 1.8E2 969.8734 1.2E2 970.5304 1.1E2 970.7454 1.1E2 971.5716 1.9E2 END IONS BEGIN IONS FEATURE_ID=12780 PEPMASS=579.3382 SCANS=12780 RTINSECONDS=2342.513 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 71.0138 4.7E2 82.9525 1.2E2 87.0064 2.8E2 89.0262 1.1E3 113.0213 2.0E2 119.0365 2.6E2 147.0727 1.3E2 168.9906 1.6E2 255.2327 7.3E2 256.2356 2.2E2 269.2477 1.7E2 805.8442 2.1E2 END IONS BEGIN IONS FEATURE_ID=12810 PEPMASS=633.3383 SCANS=12810 RTINSECONDS=2344.626 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 99.0098 1.5E2 100.9335 1.1E2 112.7158 1.2E2 112.9841 2.2E2 138.3402 1.0E2 194.0774 2.0E2 353.3318 1.3E2 362.1202 1.1E2 497.3632 2.4E3 497.4607 3.1E2 498.3628 1.2E3 499.3595 3.7E2 499.6545 1.4E2 539.3596 2.6E2 565.3676 2.1E2 566.3597 2.0E2 END IONS BEGIN IONS FEATURE_ID=12820 PEPMASS=495.2531 SCANS=12820 RTINSECONDS=2345.905 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 97.0627 1.9E2 117.0354 1.5E2 119.0500 3.0E2 120.0516 1.8E2 145.0285 6.4E3 146.0327 4.5E2 147.0346 2.4E2 147.8610 1.1E2 152.9974 1.3E2 163.0398 4.0E2 189.3889 1.4E2 256.1182 1.1E2 313.2338 9.1E2 314.2343 1.9E2 356.1250 1.8E2 373.2846 2.4E2 395.2440 1.4E2 429.2919 1.0E2 437.3430 3.6E2 438.3504 1.3E2 439.2252 1.0E2 441.2726 1.7E2 450.2583 1.4E2 468.2273 1.6E2 493.2121 1.1E2 496.5745 1.2E2 497.3625 6.2E3 498.3663 2.1E3 498.4870 1.9E2 498.5690 1.4E2 499.8448 1.0E2 END IONS BEGIN IONS FEATURE_ID=12834 PEPMASS=243.1957 SCANS=12834 RTINSECONDS=2346.031 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 7 (6 removed due to low quality, 0 removed due to low cosine). 60.0164 2.6E2 635.0498 1.1E2 END IONS BEGIN IONS FEATURE_ID=12843 PEPMASS=297.2427 SCANS=12843 RTINSECONDS=2348.217 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 198.1500 1.3E2 252.2353 1.0E2 255.0300 1.2E2 255.2340 1.1E2 297.2461 1.9E3 298.2443 5.0E2 299.2135 2.4E2 300.2077 2.2E2 419.9154 1.7E2 END IONS BEGIN IONS FEATURE_ID=12845 PEPMASS=879.4957 SCANS=12845 RTINSECONDS=2347.289 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 97.0097 1.7E2 183.9833 1.3E2 225.1193 1.0E2 264.1950 1.7E2 389.2615 1.3E2 449.2757 1.3E2 606.2406 1.1E2 773.4123 1.1E2 861.4688 1.2E2 879.4922 2.8E3 879.7185 1.7E2 880.0912 1.1E2 880.4912 2.2E3 880.7792 1.7E2 881.2370 1.2E2 881.4858 6.0E2 881.6815 1.1E2 882.4836 2.6E2 883.5157 1.6E2 END IONS BEGIN IONS FEATURE_ID=12863 PEPMASS=293.2106 SCANS=12863 RTINSECONDS=2349.653 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 100.9302 1.1E2 113.0970 4.2E2 113.1226 1.5E2 152.0449 1.2E2 156.1063 1.0E2 171.1077 2.2E2 177.1244 1.5E2 195.1403 2.2E2 220.1433 4.4E2 221.1509 8.0E2 236.1031 4.2E2 237.1051 1.6E2 277.2151 3.2E2 293.2074 5.9E2 294.2201 1.8E2 295.2290 1.0E2 297.2448 4.3E2 END IONS BEGIN IONS FEATURE_ID=12873 PEPMASS=565.3499 SCANS=12873 RTINSECONDS=2349.85 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 75.0045 2.6E2 78.9576 2.1E2 83.0468 2.5E2 96.9560 1.4E2 133.0687 1.4E2 158.9733 1.1E2 229.1858 1.3E2 237.1114 1.8E2 281.2447 1.9E2 331.0325 1.1E2 353.3350 1.0E2 377.3148 1.2E2 385.3103 1.0E2 452.3582 1.2E2 495.3366 1.7E2 497.3598 7.2E3 497.4822 2.4E2 497.5585 3.8E2 498.3628 3.0E3 498.4740 2.2E2 499.3614 2.4E2 565.3254 1.4E2 565.3877 1.1E2 566.3383 1.3E2 567.3402 1.5E2 567.4747 1.2E2 END IONS BEGIN IONS FEATURE_ID=12883 PEPMASS=577.2691 SCANS=12883 RTINSECONDS=2350.603 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 78.9818 2.3E2 79.9584 2.8E2 80.9640 1.2E3 82.9630 1.4E2 85.0295 2.2E2 86.0318 1.7E2 89.0228 1.7E2 109.0319 1.1E2 125.0248 1.6E2 134.9708 1.0E2 136.9891 2.5E2 148.9956 1.1E2 152.9877 1.9E2 164.9823 6.2E2 167.0355 1.6E2 206.9925 2.2E2 225.0024 2.8E2 226.0023 1.3E2 228.0116 1.3E2 255.2302 2.0E2 270.9758 1.2E2 299.0420 1.9E2 461.0763 1.2E2 577.2674 8.1E2 578.2694 4.7E2 578.4074 1.1E2 698.4491 2.1E2 END IONS BEGIN IONS FEATURE_ID=12922 PEPMASS=497.3627 SCANS=12922 RTINSECONDS=2352.669 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 18 (0 removed due to low quality, 17 removed due to low cosine). 71.7368 1.6E2 72.9920 1.1E2 78.9587 1.1E2 114.9337 1.4E2 179.1393 2.6E2 309.2670 1.1E2 317.2778 1.2E2 379.3206 2.4E2 437.3492 2.0E2 497.3590 2.8E3 497.5582 1.1E2 498.3694 8.4E2 499.3758 3.2E2 END IONS BEGIN IONS FEATURE_ID=12926 PEPMASS=401.2193 SCANS=12926 RTINSECONDS=2353.027 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 131.0697 1.6E3 132.0791 1.2E2 166.0874 1.2E2 173.0791 1.7E3 248.1352 2.2E2 363.6778 2.8E2 386.2344 1.6E2 401.2475 2.5E2 404.2414 1.8E2 END IONS BEGIN IONS FEATURE_ID=12952 PEPMASS=707.4565 SCANS=12952 RTINSECONDS=2354.479 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 75.0065 2.3E2 85.0285 2.6E2 85.0480 1.1E2 85.9986 1.7E2 89.0223 3.1E2 101.0211 2.9E2 113.0239 1.1E2 124.4348 1.5E2 152.7612 1.1E2 153.0884 2.1E2 179.1411 1.9E2 183.1660 1.2E2 211.1334 1.7E2 216.1196 1.1E2 241.0060 2.6E2 249.0661 2.3E2 275.1978 1.0E2 296.1008 1.3E2 383.3457 7.6E2 384.3668 1.8E2 457.1003 1.5E2 476.2454 1.1E2 505.2420 1.3E2 545.4067 1.4E3 545.5275 1.1E2 545.6219 1.1E2 546.4070 6.9E2 547.4104 1.4E2 551.8155 1.1E2 585.1545 1.0E2 663.5059 1.7E2 664.3548 1.3E2 678.3223 1.0E2 707.4574 1.6E3 708.4606 9.5E2 708.5672 1.5E2 708.6642 1.2E2 709.4428 3.1E2 709.8849 1.4E2 END IONS BEGIN IONS FEATURE_ID=12997 PEPMASS=565.3508 SCANS=12997 RTINSECONDS=2357.887 CHARGE=1- MSLEVEL=2 MERGED_STATS=4 / 6 (0 removed due to low quality, 2 removed due to low cosine). 60.0456 2.1E2 112.9794 2.9E2 159.0698 1.3E2 199.0940 2.5E2 199.1294 1.4E2 229.5591 1.3E2 253.2108 1.9E2 270.1466 1.7E2 281.2420 6.9E2 281.2467 1.5E2 282.2578 1.4E2 290.1376 1.1E2 327.2496 1.4E2 329.1704 1.9E2 329.2385 1.4E2 335.3804 1.2E2 369.0957 1.3E2 377.1184 1.6E2 400.2884 1.1E2 437.3298 3.2E2 450.2062 1.4E2 456.0008 1.3E2 479.0896 1.8E2 494.0667 1.1E2 497.3620 1.1E4 497.4424 2.4E2 497.5312 1.0E2 497.5619 3.9E2 497.5770 1.2E2 497.6050 1.0E2 498.0399 1.4E2 498.3683 4.2E3 498.4669 1.8E2 498.4917 1.7E2 498.9056 1.7E2 499.2896 2.0E2 499.3616 5.2E2 499.4021 2.7E2 499.5412 1.2E2 504.4113 1.2E2 506.3144 3.7E2 511.9402 1.6E2 533.3600 1.0E2 565.1590 2.7E2 565.3517 5.3E3 565.4950 1.3E2 565.5469 1.7E2 565.5654 2.6E2 566.0849 1.0E2 566.3534 3.4E3 566.5005 1.2E2 566.5485 2.8E2 566.6778 1.1E2 567.3442 9.8E2 567.4404 1.8E2 567.4926 2.0E2 567.5399 1.0E2 568.3442 2.1E2 568.4829 1.1E2 568.5002 2.1E2 END IONS BEGIN IONS FEATURE_ID=13012 PEPMASS=293.2110 SCANS=13012 RTINSECONDS=2358.711 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (2 removed due to low quality, 0 removed due to low cosine). 99.0481 1.8E2 109.0631 1.5E2 113.0960 7.7E2 113.1262 1.2E2 113.1983 1.1E2 125.0978 1.7E2 135.1196 1.1E2 158.9745 1.9E2 177.1242 1.2E2 179.1071 2.0E2 195.1351 1.5E2 221.1487 2.1E2 231.1367 1.4E2 293.2136 6.9E2 293.2807 1.8E2 294.2172 6.1E2 295.2185 1.0E2 END IONS BEGIN IONS FEATURE_ID=13015 PEPMASS=942.6991 SCANS=13015 RTINSECONDS=2359.838 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 87.0446 3.4E2 104.9550 1.2E2 129.1049 1.9E2 141.0542 2.3E2 143.0703 8.1E2 155.0680 5.6E2 158.0909 1.6E2 162.2541 1.2E2 171.0977 1.8E2 173.0806 4.6E2 194.0964 2.0E2 195.0546 2.6E2 225.2162 1.1E2 263.0535 1.1E2 266.2486 1.1E2 270.2402 4.9E2 271.2291 5.3E2 283.1451 1.1E2 312.2554 1.4E2 313.2499 1.0E2 314.2747 1.3E2 326.2711 1.6E2 329.1881 1.2E2 356.1886 1.8E2 394.2921 1.8E2 414.3096 1.1E2 435.7597 1.0E2 440.4081 1.2E2 444.3344 5.3E3 445.3335 1.5E3 445.4646 1.3E2 446.3347 3.8E2 447.8330 1.1E2 452.3854 1.1E2 453.3445 1.5E2 494.2497 2.6E2 497.3639 2.3E3 497.4853 2.0E2 498.3722 5.6E2 499.3649 2.0E2 553.2288 1.4E2 567.3548 1.1E2 586.3360 1.6E2 646.0249 2.0E2 699.2105 1.3E2 735.3732 1.5E2 783.0373 1.2E2 882.7716 1.2E2 943.5688 1.2E2 943.7065 1.1E2 944.4605 2.2E2 945.4017 1.0E2 END IONS BEGIN IONS FEATURE_ID=13023 PEPMASS=311.2218 SCANS=13023 RTINSECONDS=2359.838 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0519 2.0E2 116.9296 1.2E2 133.0704 1.9E2 274.8762 2.7E2 740.4806 1.2E2 END IONS BEGIN IONS FEATURE_ID=13034 PEPMASS=507.2963 SCANS=13034 RTINSECONDS=2360.163 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 117.0293 2.6E2 133.0264 4.2E2 134.0361 9.6E2 134.0727 1.9E2 135.0420 7.0E2 161.0242 5.9E3 162.0265 7.0E2 179.0363 4.0E2 180.0316 1.1E2 271.2268 1.1E3 272.2297 5.6E2 308.1950 1.0E2 345.2151 2.1E2 347.2635 6.0E2 348.2578 2.0E2 349.2573 1.4E2 415.2493 2.3E3 415.3607 1.7E2 416.2555 9.9E2 417.2500 3.6E2 433.2570 4.5E2 507.2870 1.7E2 508.1868 1.3E2 508.2712 1.8E2 END IONS BEGIN IONS FEATURE_ID=13088 PEPMASS=297.2426 SCANS=13088 RTINSECONDS=2364.961 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 8 (6 removed due to low quality, 1 removed due to low cosine). 113.0916 1.4E2 114.0994 1.3E2 183.1349 1.5E2 199.1319 1.2E2 279.2282 3.9E2 280.2326 3.1E2 295.2260 2.0E2 297.2420 1.8E3 298.2443 1.0E3 299.2516 3.7E2 300.0536 1.4E2 301.2332 2.6E2 819.9669 2.7E2 END IONS BEGIN IONS FEATURE_ID=13103 PEPMASS=687.5758 SCANS=13103 RTINSECONDS=2367.326 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 5 (0 removed due to low quality, 4 removed due to low cosine). 101.0276 1.1E2 104.9500 1.1E2 118.5019 1.1E2 152.0969 1.2E2 256.4258 1.1E2 275.1601 1.2E2 289.1767 1.0E2 350.9417 1.5E2 590.9439 1.1E2 641.5576 2.5E2 642.5669 2.0E2 645.4880 1.2E2 653.5839 1.1E2 689.5131 1.8E2 689.8843 1.2E2 690.4300 1.6E2 691.4054 1.1E2 691.4892 1.5E2 END IONS BEGIN IONS FEATURE_ID=13111 PEPMASS=479.2796 SCANS=13111 RTINSECONDS=2367.185 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 3 (0 removed due to low quality, 2 removed due to low cosine). 84.0054 2.1E2 126.0576 2.1E2 157.0876 1.1E2 168.9852 1.2E2 177.9389 2.6E2 279.2319 1.0E2 307.2206 1.4E2 309.0989 1.3E2 322.2383 1.1E2 323.1856 1.5E2 358.3205 1.1E2 444.3264 1.6E2 479.2765 3.1E3 479.4513 1.4E2 479.9559 1.3E2 480.2774 1.7E3 480.9676 2.1E2 481.2759 7.2E2 481.4646 1.8E2 482.2805 1.5E2 482.4673 1.4E2 END IONS BEGIN IONS FEATURE_ID=13116 PEPMASS=407.2909 SCANS=13116 RTINSECONDS=2367.185 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0277 1.3E2 109.0393 2.5E2 125.0688 2.0E2 127.0514 1.1E3 127.0901 1.5E2 128.0336 2.0E2 145.0581 1.2E3 145.1365 1.2E2 191.0033 1.5E2 278.2502 2.1E2 279.2353 1.4E2 345.2929 6.7E2 373.2519 2.1E2 389.2743 5.6E2 390.2829 1.0E2 407.2936 1.4E3 408.2958 5.8E2 409.2720 1.8E2 410.2938 2.1E2 411.2971 2.0E2 463.2462 1.1E2 508.6349 1.4E2 618.4727 1.5E2 END IONS BEGIN IONS FEATURE_ID=13152 PEPMASS=527.2880 SCANS=13152 RTINSECONDS=2371.145 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 8 (0 removed due to low quality, 6 removed due to low cosine). 69.0034 1.2E2 71.0162 9.1E2 72.9928 1.7E2 75.0085 3.6E2 83.0108 1.1E2 85.0275 2.4E2 87.0103 2.3E2 89.0233 3.5E2 95.0123 2.7E2 99.0083 4.7E2 113.0219 5.8E2 114.9999 1.2E2 123.0495 1.1E2 233.2217 1.9E2 249.0538 1.2E2 250.0589 1.4E2 277.2171 3.8E3 277.3730 1.3E2 278.2201 4.1E2 278.2278 3.7E2 279.2225 1.2E2 404.1342 2.0E2 451.0909 1.0E2 END IONS BEGIN IONS FEATURE_ID=13157 PEPMASS=456.2547 SCANS=13157 RTINSECONDS=2371.94 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 103.9570 1.2E2 134.6382 1.2E2 159.0966 1.4E2 283.2602 7.8E2 285.2155 1.3E2 358.8599 1.4E2 363.7266 1.0E2 398.2346 1.3E2 430.2721 1.9E2 440.3348 1.0E2 457.2723 1.1E2 595.3718 1.6E2 END IONS BEGIN IONS FEATURE_ID=13158 PEPMASS=466.2824 SCANS=13158 RTINSECONDS=2371.94 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 78.0345 1.2E2 94.0292 1.9E2 96.0475 1.7E2 120.0401 1.1E2 122.0567 2.1E2 140.0341 3.7E2 196.0573 1.1E2 253.2127 1.6E2 254.1641 1.5E2 279.2276 1.1E2 295.2247 3.1E2 311.2517 1.3E2 401.1855 1.0E2 403.2669 1.2E2 420.2798 2.3E2 421.2684 2.0E2 467.2739 1.2E2 469.3394 1.3E2 470.2989 1.1E2 END IONS BEGIN IONS FEATURE_ID=13160 PEPMASS=595.2761 SCANS=13160 RTINSECONDS=2371.94 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 67.0200 2.2E2 71.0146 2.5E2 71.0511 1.1E2 75.0108 6.8E2 85.0301 3.2E2 117.0208 1.0E2 131.0366 2.0E2 132.0084 1.2E2 150.9968 1.3E2 163.1068 1.5E2 175.0168 1.2E2 186.0749 2.6E2 230.0779 1.8E2 231.0410 1.0E2 249.0559 5.2E2 253.0439 2.0E2 269.3918 1.1E2 277.2135 2.1E3 277.2618 2.9E2 278.2178 2.5E2 279.2184 1.9E2 461.3282 1.2E2 475.4226 1.5E2 528.2747 1.0E2 935.6840 1.1E2 END IONS BEGIN IONS FEATURE_ID=13163 PEPMASS=331.2036 SCANS=13163 RTINSECONDS=2371.94 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 87.0085 1.5E2 149.5559 1.2E2 198.0218 1.2E2 222.1560 1.3E2 271.2108 1.1E2 330.9857 2.6E2 366.9600 1.6E2 368.1577 1.0E2 740.4106 1.6E2 END IONS BEGIN IONS FEATURE_ID=13165 PEPMASS=428.3021 SCANS=13165 RTINSECONDS=2372.596 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 72.0442 1.2E2 83.0523 4.5E2 86.0204 1.6E2 98.0584 1.4E2 101.0241 2.1E2 108.0143 1.7E2 181.1613 1.6E2 225.2183 3.5E2 271.2249 1.5E2 295.2334 2.0E2 302.1156 1.3E2 816.2292 1.6E2 END IONS BEGIN IONS FEATURE_ID=13224 PEPMASS=362.2689 SCANS=13224 RTINSECONDS=2376.565 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.0451 1.8E2 100.0748 1.6E2 102.0545 1.4E3 152.1456 1.4E2 155.1071 1.9E2 259.1985 1.9E2 295.2217 2.1E2 297.2423 2.9E3 297.3463 1.6E2 297.8765 1.4E2 317.2186 2.0E2 319.2201 1.6E2 346.2080 1.0E2 362.2673 1.6E3 363.2722 2.1E2 END IONS BEGIN IONS FEATURE_ID=13234 PEPMASS=577.2699 SCANS=13234 RTINSECONDS=2377.569 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 113.9969 1.6E2 139.0460 1.9E2 141.0592 2.2E2 176.9867 1.0E2 225.0015 2.6E2 299.0478 1.3E2 327.2067 1.1E2 534.3260 1.7E2 535.2005 1.2E2 577.2666 2.7E3 577.3820 4.0E2 578.2778 9.9E2 578.3825 3.9E2 579.2838 6.4E2 579.4084 2.4E2 580.0560 1.1E2 580.2636 1.4E2 581.1719 1.0E2 END IONS BEGIN IONS FEATURE_ID=13260 PEPMASS=297.2432 SCANS=13260 RTINSECONDS=2377.632 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 116.0754 1.1E2 238.0472 1.0E2 254.4704 1.1E2 END IONS BEGIN IONS FEATURE_ID=13261 PEPMASS=365.2310 SCANS=13261 RTINSECONDS=2378.362 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (2 removed due to low quality, 3 removed due to low cosine). 94.9259 1.6E2 98.9526 1.9E2 125.0462 1.2E2 125.0989 1.5E2 141.0013 2.6E2 153.1195 1.3E2 155.1069 4.4E2 171.1027 1.0E2 279.2338 5.9E2 297.2383 1.9E2 712.4492 1.0E2 END IONS BEGIN IONS FEATURE_ID=13264 PEPMASS=433.2201 SCANS=13264 RTINSECONDS=2377.696 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 78.9597 1.8E2 99.5959 1.1E2 112.9877 2.7E2 139.0370 1.8E2 220.1941 1.5E2 224.2115 1.6E2 251.1951 1.1E2 297.2433 3.7E2 298.2428 1.9E2 319.2179 1.4E2 365.2307 9.6E2 366.2269 3.8E2 366.6474 1.1E2 390.2668 1.8E2 405.5506 1.1E2 433.3659 1.1E3 433.5209 1.1E2 434.3811 4.4E2 END IONS BEGIN IONS FEATURE_ID=13330 PEPMASS=617.3857 SCANS=13330 RTINSECONDS=2382.378 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.9347 1.2E2 95.0142 1.6E2 119.0495 7.9E2 119.0836 2.0E2 120.0540 2.6E2 129.0495 1.5E2 145.0288 1.6E2 163.0397 1.7E3 164.0422 3.6E2 225.1129 1.9E2 242.1341 1.3E2 312.2517 1.9E2 375.1486 1.8E2 416.2162 2.0E2 453.3334 6.1E2 453.3935 1.9E2 454.1024 1.1E2 516.3257 1.0E2 617.3826 1.8E3 618.3844 4.2E2 619.4030 2.7E2 END IONS BEGIN IONS FEATURE_ID=13343 PEPMASS=293.2100 SCANS=13343 RTINSECONDS=2383.935 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 92.9255 1.2E2 96.9627 2.1E2 114.9868 1.0E2 140.2476 1.2E2 153.1270 1.3E2 185.1219 1.1E2 191.1796 2.0E2 221.1510 3.0E2 236.1034 1.7E2 245.1874 1.4E2 293.1925 3.8E2 294.2058 2.4E2 295.2241 6.5E2 296.2203 1.6E2 297.2432 2.5E2 887.5665 2.0E2 END IONS BEGIN IONS FEATURE_ID=13361 PEPMASS=537.3276 SCANS=13361 RTINSECONDS=2384.739 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 11 (0 removed due to low quality, 10 removed due to low cosine). 89.0253 1.5E2 101.0206 1.1E2 113.0196 1.6E2 125.0966 2.6E2 255.2329 2.8E3 255.3250 1.5E2 255.3762 1.3E2 256.2329 2.0E2 257.2282 1.7E2 283.3875 1.1E2 END IONS BEGIN IONS FEATURE_ID=13368 PEPMASS=687.5775 SCANS=13368 RTINSECONDS=2385.552 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 98.0253 1.7E2 112.9816 1.8E2 234.0047 1.6E2 293.2125 1.0E2 339.2210 1.1E2 342.0299 1.3E2 403.2166 1.1E2 580.9408 2.1E2 585.4269 1.9E2 601.4854 1.3E2 627.3830 1.1E2 641.5677 4.6E2 641.7281 1.2E2 642.5673 2.2E2 643.5759 1.5E2 644.6045 2.0E2 687.4120 2.6E2 688.1529 1.1E2 688.4304 3.2E2 689.3537 1.4E2 689.4645 3.1E2 690.5636 1.4E2 691.5477 1.0E2 692.1027 1.1E2 END IONS BEGIN IONS FEATURE_ID=13374 PEPMASS=823.4701 SCANS=13374 RTINSECONDS=2386.264 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 12 (0 removed due to low quality, 11 removed due to low cosine). 89.0230 4.6E2 90.0292 2.6E2 101.0252 2.6E2 111.0123 1.6E2 113.0225 3.9E2 119.0303 1.5E2 125.0938 8.2E2 125.1369 1.4E2 161.0300 1.7E2 167.0350 1.1E2 169.0870 2.1E2 187.0970 1.7E3 219.0454 1.1E2 221.0682 2.4E2 221.1451 2.5E2 253.1041 1.7E2 255.2280 9.7E2 291.1955 1.0E2 365.1280 1.7E2 397.1321 8.5E2 397.1948 1.7E2 398.1359 4.3E2 415.1491 2.4E2 567.2353 2.3E2 568.2164 1.2E2 585.2310 3.1E2 586.2633 1.3E2 823.2570 1.0E2 823.4663 1.8E3 823.6946 1.5E2 824.4683 1.2E3 824.7014 1.4E2 825.1275 1.3E2 825.4782 5.4E2 826.4748 1.5E2 826.6987 1.7E2 826.9124 1.0E2 831.8721 1.5E2 847.3475 2.1E2 END IONS BEGIN IONS FEATURE_ID=13386 PEPMASS=323.2218 SCANS=13386 RTINSECONDS=2388.085 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 75.0081 1.6E2 122.9478 1.4E2 137.0230 1.8E2 148.0843 1.9E2 221.5689 2.6E2 243.0631 1.2E2 263.2382 1.4E2 266.0842 2.1E2 279.2298 4.2E3 279.3017 1.1E2 279.3813 1.6E2 280.2316 1.0E3 280.6178 1.0E2 281.1533 1.2E2 281.2456 1.9E2 295.2218 2.3E2 323.2199 2.7E2 324.2282 1.0E2 325.1769 2.7E2 END IONS BEGIN IONS FEATURE_ID=13396 PEPMASS=243.1958 SCANS=13396 RTINSECONDS=2388.625 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 169.1607 1.2E2 195.1709 2.5E2 197.1887 1.1E3 198.1919 2.5E2 199.1934 2.1E2 243.1913 3.3E2 459.6181 1.3E2 END IONS BEGIN IONS FEATURE_ID=13401 PEPMASS=426.2852 SCANS=13401 RTINSECONDS=2391.003 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 73.0277 3.7E2 140.0706 5.0E2 253.2199 2.4E2 350.2620 2.5E2 408.2648 1.6E2 426.2862 2.4E3 426.4304 1.4E2 427.2910 1.4E3 428.2935 1.5E2 428.6887 1.0E2 429.2984 5.1E2 429.5185 1.0E2 END IONS BEGIN IONS FEATURE_ID=13419 PEPMASS=410.3262 SCANS=13419 RTINSECONDS=2393.268 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 79.9570 1.3E2 84.9415 1.0E2 97.9768 1.4E2 113.0264 1.3E2 126.0878 1.2E2 128.1038 2.3E2 130.0859 3.8E3 130.1201 2.5E2 130.1380 2.5E2 130.1925 1.0E2 131.0799 1.9E2 297.2388 2.3E2 301.2238 2.1E2 344.2022 1.0E2 348.3422 2.0E2 349.3133 1.2E2 410.3297 2.6E3 410.4545 1.5E2 410.4849 1.1E2 411.0908 3.0E2 411.2136 1.3E2 411.2224 2.3E2 411.3370 2.4E3 411.4357 1.4E2 411.4961 1.1E2 412.1429 1.0E2 412.3555 1.0E2 412.3780 1.5E2 413.0836 1.1E2 413.3273 4.9E3 413.4428 1.3E2 413.5020 1.1E2 414.3259 7.4E2 414.6218 1.0E2 558.7162 1.4E2 660.4253 1.2E2 807.7810 1.6E2 END IONS BEGIN IONS FEATURE_ID=13425 PEPMASS=406.2620 SCANS=13425 RTINSECONDS=2393.358 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 84.0111 1.3E2 96.9927 6.8E2 97.0202 1.9E2 99.9256 1.9E2 100.9303 1.3E2 114.0155 3.1E2 116.0678 2.1E2 233.2314 2.6E2 247.1248 1.1E2 256.9906 1.9E2 276.2326 6.3E2 277.2327 1.5E2 293.2139 1.3E2 302.2514 1.0E2 330.2439 6.3E2 406.3068 2.8E2 408.2902 2.3E2 409.2584 1.7E2 END IONS BEGIN IONS FEATURE_ID=13447 PEPMASS=967.7431 SCANS=13447 RTINSECONDS=2394.156 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 109.0646 1.1E2 123.0037 1.2E2 143.0316 2.2E2 151.0752 1.2E2 161.0421 1.4E2 197.0761 2.8E2 235.1329 2.0E2 243.1945 1.6E2 272.2041 1.2E2 293.2081 6.1E2 295.2281 2.3E2 309.2022 3.2E2 311.2333 1.4E2 324.9764 1.6E2 358.1541 2.3E2 379.1218 1.2E2 397.1319 2.5E2 471.3341 1.7E2 480.2425 1.0E2 571.5192 1.1E2 579.2846 1.0E2 860.9373 1.9E2 967.5974 2.2E2 969.2484 2.0E2 969.5756 2.1E2 969.6830 1.8E2 970.5304 1.2E2 971.3920 1.0E2 END IONS BEGIN IONS FEATURE_ID=13460 PEPMASS=269.2111 SCANS=13460 RTINSECONDS=2396.183 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 2 (0 removed due to low quality, 1 removed due to low cosine). 130.0888 2.0E2 147.0819 1.1E2 162.0503 2.1E2 208.1306 1.3E2 225.2184 1.8E2 251.1974 1.4E2 294.5995 2.0E2 434.1817 1.1E2 END IONS BEGIN IONS FEATURE_ID=13461 PEPMASS=727.4143 SCANS=13461 RTINSECONDS=2396.153 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 4 (0 removed due to low quality, 2 removed due to low cosine). 71.0142 6.2E2 71.0308 1.3E2 72.9926 1.0E2 73.0263 1.4E2 79.0143 1.3E2 81.0373 2.2E2 87.0120 1.1E2 89.0250 1.7E3 90.0235 1.2E2 97.0292 4.0E2 101.0255 9.5E2 102.0289 1.6E2 113.0260 2.3E2 119.0345 9.2E2 119.0642 1.8E2 121.0303 1.8E2 125.0216 3.0E2 143.0276 1.4E2 149.0260 1.2E2 161.0428 1.9E2 161.4882 1.3E2 179.0519 4.3E2 221.0659 1.7E2 225.0516 1.1E2 235.0787 1.3E2 236.0730 1.3E2 251.1493 1.4E2 254.0886 1.5E2 277.2136 1.5E2 283.2643 4.9E3 283.4041 1.2E2 283.4161 1.4E2 284.2667 6.8E2 284.9502 1.2E2 285.2689 1.3E2 287.2190 1.7E2 333.2169 1.4E2 381.2528 2.6E2 394.3661 1.6E2 397.1354 1.0E3 403.1769 1.1E2 415.1438 4.3E2 439.3181 1.0E2 448.2917 1.4E2 452.3460 1.0E2 549.2931 1.4E2 576.3878 1.5E2 588.2363 1.0E2 694.6487 1.0E2 729.4525 1.4E2 729.5260 1.4E2 764.0449 1.0E2 END IONS BEGIN IONS FEATURE_ID=13466 PEPMASS=479.2798 SCANS=13466 RTINSECONDS=2399.109 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 4 (0 removed due to low quality, 3 removed due to low cosine). 78.9594 2.6E2 123.1109 1.2E2 143.0718 1.0E2 168.9840 1.1E2 179.9107 1.0E2 209.0031 1.3E2 210.1737 1.2E2 218.1301 1.0E2 225.2387 1.3E2 277.1727 2.1E2 332.9978 1.1E2 337.2336 1.7E2 368.1343 2.3E2 413.3185 2.3E2 423.2645 2.7E2 451.2346 2.4E2 451.2825 1.7E2 479.2798 3.5E3 479.5092 1.3E2 479.6655 1.2E2 480.2839 9.9E2 480.3524 2.0E2 480.9817 3.4E2 481.2112 1.4E2 481.2867 1.9E2 482.2987 1.4E2 END IONS BEGIN IONS FEATURE_ID=13496 PEPMASS=397.3329 SCANS=13496 RTINSECONDS=2398.879 CHARGE=1- MSLEVEL=2 MERGED_STATS=2 / 6 (0 removed due to low quality, 4 removed due to low cosine). 81.0330 1.2E2 96.9678 1.0E2 153.0862 1.4E2 311.4979 1.2E2 335.3279 2.6E3 335.3836 1.4E2 336.3140 1.1E2 336.3370 2.1E2 351.3676 1.8E2 379.3157 1.2E3 380.3271 3.6E2 397.3309 4.0E3 398.0540 2.1E2 398.3357 1.1E3 399.3334 2.1E2 END IONS BEGIN IONS FEATURE_ID=13500 PEPMASS=570.5102 SCANS=13500 RTINSECONDS=2398.879 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 60.0460 2.9E2 72.0425 1.3E2 76.2812 1.5E2 83.0158 1.1E2 88.0386 3.9E2 95.0449 1.0E2 161.0256 1.1E2 223.1996 1.0E2 225.2227 1.2E3 225.2824 1.1E2 226.2241 3.7E2 241.2117 1.8E2 255.2313 4.3E2 262.1077 1.1E2 266.2430 2.5E2 267.2265 1.3E2 268.2392 1.6E2 270.2414 1.5E2 271.2327 5.4E2 272.2411 1.6E2 278.2628 1.0E2 279.7198 1.1E2 293.2820 1.0E2 314.2665 1.4E2 326.2633 2.3E2 335.4473 1.6E2 355.0807 1.0E2 386.2173 1.7E2 455.0343 2.5E2 552.5229 1.1E2 553.3099 1.8E2 570.5074 1.1E2 END IONS BEGIN IONS FEATURE_ID=13501 PEPMASS=606.4865 SCANS=13501 RTINSECONDS=2398.879 CHARGE=1- MSLEVEL=2 MERGED_STATS=1 / 6 (0 removed due to low quality, 5 removed due to low cosine). 112.9890 1.4E2 139.1095 1.3E2 199.0800 1.3E2 225.2216 1.6E2 226.2215 1.3E2 293.2025 1.1E2 314.2580 1.3E2 326.2699 3.6E2 327.2580 1.8E2 371.0526 1.2E2 570.5097 3.4E2 609.2554 1.3E2 END IONS nf_output/clustering/tall_raw_data.tsv0000644000000000000000000057014114704537056017335 0ustar rootrootrow ID filename area raw_data row m/z row retention time 3 DG19_Neg.mzML 19482.783 0 102.9567509451892 0.057033334 4 DG19_Neg.mzML 22921.758 0 164.92672908658517 0.080516666 6 DG19_Neg.mzML 0.0 0 242.94315127836848 0.106866665 8 DG19_Neg.mzML 0.0 0 174.95515876338052 0.21258333 10 DG19_Neg.mzML 0.0 0 134.86502954570736 0.33723333 11 DG19_Neg.mzML 0.0 0 164.92684841873526 0.33723333 12 DG19_Neg.mzML 0.0 0 255.8212103738272 0.44343334 14 DG19_Neg.mzML 0.0 0 102.95679574933274 0.44343334 15 DG19_Neg.mzML 0.0 0 242.9425514265742 0.48636666 17 DG19_Neg.mzML 0.0 0 174.9549929852028 0.56815 18 DG19_Neg.mzML 0.0 0 164.9265290260242 0.6346 21 DG19_Neg.mzML 0.0 0 102.95669714993691 0.71888334 24 DG19_Neg.mzML 21320.166 0 164.92651486575662 0.8182 25 DG19_Neg.mzML 45064.105 0 174.95476491254738 0.8283917 27 DG19_Neg.mzML 0.0 0 255.82166062303108 0.85733336 28 DG19_Neg.mzML 0.0 0 242.94270710663625 1.0209334 42 DG19_Neg.mzML 0.0 0 272.9576953884091 1.1536334 49 DG19_Neg.mzML 108535.086 0 158.97738539997613 1.1788722 50 DG19_Neg.mzML 62226.78 0 226.9643775532686 1.1516334 57 DG19_Neg.mzML 0.0 0 322.1133667379883 1.1793333 113 DG19_Neg.mzML 0.0 0 232.08135647177505 1.2175833 154 DG19_Neg.mzML 161803.12 0 280.9064083120511 1.2733 199 DG19_Neg.mzML 0.0 0 326.9009987364341 1.31955 218 DG19_Neg.mzML 464566.97 0 128.95902957283622 1.3341278 219 DG19_Neg.mzML 272777.1 0 296.8808599993093 1.3341278 220 DG19_Neg.mzML 203847.08 0 380.8410906258793 1.34995 270 DG19_Neg.mzML 0.0 0 216.0865670682372 1.4326667 290 DG19_Neg.mzML 0.0 0 170.08116294188977 1.4692333 323 DG19_Neg.mzML 393905.44 0 471.0733688479993 1.5006167 382 DG19_Neg.mzML 0.0 0 322.1147187473182 1.4831333 392 DG19_Neg.mzML 701897.25 0 239.0776433098742 1.5575583 393 DG19_Neg.mzML 1639345.1 0 387.11414429466186 1.53275 413 DG19_Neg.mzML 1723985.0 0 341.1091243835329 1.5450388 430 DG19_Neg.mzML 0.0 0 278.1253263602286 1.5554167 522 DG19_Neg.mzML 0.0 0 292.1412018952949 1.5554167 548 DG19_Neg.mzML 0.0 0 177.07634529718433 1.61335 640 DG19_Neg.mzML 0.0 0 290.08915719629806 1.6624 694 DG19_Neg.mzML 2280436.0 0 133.01540560538447 1.68355 746 DG19_Neg.mzML 0.0 0 618.2285222985394 1.698 803 DG19_Neg.mzML 0.0 0 135.03041180383136 1.7565334 809 DG19_Neg.mzML 193565.34 0 429.0703462095502 1.758 812 DG19_Neg.mzML 193975.83 0 209.06798929580447 1.758 818 DG19_Neg.mzML 0.0 0 533.1749982581882 1.7927166 819 DG19_Neg.mzML 503668.38 0 165.0411091334315 1.78575 826 DG19_Neg.mzML 0.0 0 179.05681439148083 1.82885 827 DG19_Neg.mzML 0.0 0 191.0563511523059 1.799625 843 DG19_Neg.mzML 174612.05 0 699.224903071726 1.8198667 846 DG19_Neg.mzML 7941207.5 0 195.0515000310254 1.8228611 905 DG19_Neg.mzML 313040.22 0 115.0056782876462 1.91005 917 DG19_Neg.mzML 0.0 0 133.01504339631828 1.910175 941 DG19_Neg.mzML 0.0 0 794.2600182543151 1.9185 945 DG19_Neg.mzML 0.0 0 267.0738332757238 1.95575 946 DG19_Neg.mzML 603844.2 0 377.0888908773292 1.9224167 961 DG19_Neg.mzML 736387.1 0 439.0908563836838 1.91005 997 DG19_Neg.mzML 0.0 0 215.0336793267746 1.9923167 1033 DG19_Neg.mzML 0.0 0 366.1353342363912 2.0488167 1099 DG19_Neg.mzML 0.0 0 200.0575271274897 2.0648334 1104 DG19_Neg.mzML 0.0 0 405.152910124191 2.0648334 1108 DG19_Neg.mzML 1077685.9 0 290.089947132568 2.0804777 1110 DG19_Neg.mzML 0.0 0 339.1312968292781 2.0845168 1134 DG19_Neg.mzML 3090579.5 0 133.01532825694477 2.0920832 1230 DG19_Neg.mzML 1243670.8 0 191.0207133583248 2.1241167 1245 DG19_Neg.mzML 0.0 0 177.07673164509933 2.1284165 1420 DG19_Neg.mzML 791359.4 0 197.0459634483982 2.2506418 1431 DG19_Neg.mzML 0.0 0 515.1447095761437 2.2454166 1432 DG19_Neg.mzML 0.0 0 448.1774094975533 2.22885 1452 DG19_Neg.mzML 204194.9 0 103.00551150090584 2.30995 1483 DG19_Neg.mzML 0.0 0 479.1224386314688 2.2833166 1512 DG19_Neg.mzML 475704.5 0 295.02617183908734 2.30995 1527 DG19_Neg.mzML 352893.84 0 232.08428929624463 2.30995 1528 DG19_Neg.mzML 0.0 0 377.0892377454575 2.3206666 1622 DG19_Neg.mzML 0.0 0 450.1922169580604 2.3720334 1671 DG19_Neg.mzML 0.0 0 323.13674643639456 2.4075668 1702 DG19_Neg.mzML 0.0 0 215.03364418048525 2.4326832 1718 DG19_Neg.mzML 399445.3 0 315.0756838120277 2.5004 1740 DG19_Neg.mzML 0.0 0 385.11611945143386 2.472 1746 DG19_Neg.mzML 0.0 0 353.08949614810695 2.4763083 1856 DG19_Neg.mzML 0.0 0 290.0893989430238 2.5486667 1882 DG19_Neg.mzML 0.0 0 437.1255841190777 2.5551167 1928 DG19_Neg.mzML 0.0 0 553.2104565274899 2.5916667 1968 DG19_Neg.mzML 0.0 0 161.08279745788388 2.6642168 2029 DG19_Neg.mzML 0.0 0 219.0879893075484 2.7380166 2033 DG19_Neg.mzML 0.0 0 195.81132024426088 2.7348666 2104 DG19_Neg.mzML 0.0 0 421.1640021664064 2.7747166 2127 DG19_Neg.mzML 0.0 0 707.1844127193456 2.8111832 2138 DG19_Neg.mzML 0.0 0 411.049196860193 2.8544667 2194 DG19_Neg.mzML 0.0 0 191.05658268360483 2.9230332 2214 DG19_Neg.mzML 0.0 0 705.1700263675883 2.9275334 2215 DG19_Neg.mzML 0.0 0 707.1845653785455 2.9275334 2228 DG19_Neg.mzML 0.0 0 351.07374688844425 2.9592085 2229 DG19_Neg.mzML 0.0 0 353.0881766513112 2.9592085 2252 DG19_Neg.mzML 0.0 0 727.1525032617407 2.9653666 2253 DG19_Neg.mzML 0.0 0 729.1677209713826 2.9653666 2319 DG19_Neg.mzML 0.0 0 215.03391212751532 3.1212666 2334 DG19_Neg.mzML 0.0 0 411.048417203038 3.1212666 2354 DG19_Neg.mzML 0.0 0 490.1859424301567 3.1728 2363 DG19_Neg.mzML 0.0 0 351.0745081087651 3.1977832 2364 DG19_Neg.mzML 0.0 0 353.0881410821196 3.1977832 2376 DG19_Neg.mzML 0.0 0 707.1836779029029 3.1977832 2397 DG19_Neg.mzML 0.0 0 195.8105053375688 3.2732 2423 DG19_Neg.mzML 0.0 0 290.09069998323275 3.3917 2435 DG19_Neg.mzML 0.0 0 191.05570962399017 3.433 2449 DG19_Neg.mzML 0.0 0 353.08952990521385 3.46555 2473 DG19_Neg.mzML 0.0 0 351.07576107605297 3.5471666 2482 DG19_Neg.mzML 0.0 0 154.08687807123627 3.5471666 2498 DG19_Neg.mzML 423389.1 0 137.022273343035 3.611425 2540 DG19_Neg.mzML 0.0 0 429.15523031518575 3.6505666 2632 DG19_Neg.mzML 0.0 0 219.08689738002747 3.76145 2646 DG19_Neg.mzML 0.0 0 502.2292442429328 3.76145 2702 DG19_Neg.mzML 279698.0 0 179.0288888800202 3.8618166 2729 DG19_Neg.mzML 0.0 0 365.1799062535359 3.8735332 2745 DG19_Neg.mzML 308965.2 0 137.02203055603036 3.9062834 2764 DG19_Neg.mzML 304079.22 0 246.09162656655047 3.9374666 2779 DG19_Neg.mzML 0.0 0 397.11718053321226 3.9469166 2798 DG19_Neg.mzML 385418.97 0 177.01652122846343 3.9828 2805 DG19_Neg.mzML 0.0 0 337.0915596725163 3.9905 2860 DG19_Neg.mzML 120655.21 0 158.07934808370027 4.0929 2880 DG19_Neg.mzML 0.0 0 311.07713876414766 4.1329665 2903 DG19_Neg.mzML 0.0 0 429.15348280184537 4.17075 2908 DG19_Neg.mzML 0.0 0 492.1995309104438 4.17075 2920 DG19_Neg.mzML 0.0 0 397.1158083185669 4.1846666 2923 DG19_Neg.mzML 0.0 0 365.1797048864688 4.14455 2932 DG19_Neg.mzML 0.0 0 131.0708652887759 4.3012834 2936 DG19_Neg.mzML 213910.89 0 246.0949273962716 4.2174335 2940 DG19_Neg.mzML 67171.02 0 303.89299267903 4.25935 2959 DG19_Neg.mzML 669056.06 0 179.03337169222468 4.2579226 2993 DG19_Neg.mzML 80981.2 0 230.0999366790276 4.302233 2995 DG19_Neg.mzML 0.0 0 367.10333766523775 4.3296337 3045 DG19_Neg.mzML 84354.375 0 335.0754956022755 4.4629083 3055 DG19_Neg.mzML 0.0 0 136.07628906597364 4.4579334 3057 DG19_Neg.mzML 0.0 0 161.08075152835886 4.4802833 3061 DG19_Neg.mzML 0.0 0 212.09141105989443 4.4966664 3095 DG19_Neg.mzML 72758.32 0 175.09490575046877 4.5530167 3113 DG19_Neg.mzML 0.0 0 337.09221298967753 4.564892 3136 DG19_Neg.mzML 0.0 0 379.1044943182807 4.617 3137 DG19_Neg.mzML 61602.227 0 377.08835386133137 4.6143503 3160 DG19_Neg.mzML 61815.18 0 172.09620556839906 4.6292 3161 DG19_Neg.mzML 174447.6 0 311.0754918813472 4.657217 3174 DG19_Neg.mzML 59851.71 0 230.1009837607366 4.68295 3179 DG19_Neg.mzML 0.0 0 411.1324849164049 4.7043333 3180 DG19_Neg.mzML 0.0 0 381.1220184290784 4.7056665 3225 DG19_Neg.mzML 40705.645 0 188.0352434366336 4.8200836 3226 DG19_Neg.mzML 0.0 0 161.08100607695954 4.82335 3248 DG19_Neg.mzML 0.0 0 203.09146684846104 4.864033 3253 DG19_Neg.mzML 0.0 0 521.201153719686 4.864033 3278 DG19_Neg.mzML 0.0 0 381.12075139141865 4.9467835 3296 DG19_Neg.mzML 104882.73 0 239.08910073161772 4.9936 3298 DG19_Neg.mzML 0.0 0 367.1038213849688 5.021283 3310 DG19_Neg.mzML 76637.32 0 121.0290594593065 5.0401 3322 DG19_Neg.mzML 0.0 0 503.2228494546129 5.075967 3323 DG19_Neg.mzML 0.0 0 513.2516482599715 5.075967 3330 DG19_Neg.mzML 0.0 0 203.09151509254391 5.0998335 3370 DG19_Neg.mzML 44094.8 0 153.01832959659984 5.1738167 3376 DG19_Neg.mzML 52534.4 0 188.03599409787765 5.2204165 3387 DG19_Neg.mzML 59193.926 0 366.1171577499664 5.2686334 3391 DG19_Neg.mzML 0.0 0 381.12188720443214 5.29315 3394 DG19_Neg.mzML 0.0 0 411.1323459693694 5.311533 3400 DG19_Neg.mzML 0.0 0 363.1468509774164 5.3335166 3421 DG19_Neg.mzML 0.0 0 567.2094730186775 5.4156666 3427 DG19_Neg.mzML 30591.951 0 165.01816762125 5.4162664 3428 DG19_Neg.mzML 154003.69 0 121.0288924945138 5.4162664 3429 DG19_Neg.mzML 0.0 0 367.10245170108726 5.4561334 3440 DG19_Neg.mzML 0.0 0 363.14614170784034 5.4955335 3454 DG19_Neg.mzML 0.0 0 565.1933132217255 5.5406666 3470 DG19_Neg.mzML 0.0 0 337.092056411906 5.62285 3490 DG19_Neg.mzML 49834.668 0 173.0803807016406 5.68735 3522 DG19_Neg.mzML 0.0 0 203.0911553246677 5.7846 3527 DG19_Neg.mzML 0.0 0 345.1527135980564 5.8084 3531 DG19_Neg.mzML 0.0 0 595.1691776172034 5.8084 3578 DG19_Neg.mzML 0.0 0 143.07039899142404 6.05855 3583 DG19_Neg.mzML 0.0 0 363.146750471933 6.0813 3594 DG19_Neg.mzML 177003.48 0 167.03444219314326 6.105255 3601 DG19_Neg.mzML 81681.16 0 173.08021333963987 6.134733 3606 DG19_Neg.mzML 0.0 0 363.1457068979871 6.1831 3618 DG19_Neg.mzML 71819.1 0 617.1966483721759 6.2222333 3624 DG19_Neg.mzML 0.0 0 595.1667849523443 6.27265 3625 DG19_Neg.mzML 104767.52 0 371.0767963176903 6.2744393 3638 DG19_Neg.mzML 29442.809 0 309.0963224952004 6.3176584 3648 DG19_Neg.mzML 0.0 0 167.03391482893443 6.3606334 3657 DG19_Neg.mzML 0.0 0 557.1756039048771 6.405383 3670 DG19_Neg.mzML 0.0 0 521.2013280097731 6.443683 3688 DG19_Neg.mzML 0.0 0 557.1770689480131 6.5221667 3689 DG19_Neg.mzML 0.0 0 609.143839505109 6.5350833 3703 DG19_Neg.mzML 0.0 0 567.2083328209328 6.5997834 3711 DG19_Neg.mzML 32722.16 0 211.024177194864 6.62765 3718 DG19_Neg.mzML 299785.22 0 167.03372921624745 6.6724834 3722 DG19_Neg.mzML 0.0 0 537.2082917297138 6.676717 3725 DG19_Neg.mzML 0.0 0 547.2392872574025 6.717167 3735 DG19_Neg.mzML 0.0 0 439.1279727107519 6.7552333 3746 DG19_Neg.mzML 0.0 0 565.1930882743895 6.8353 3754 DG19_Neg.mzML 0.0 0 569.2346589742798 6.8647666 3760 DG19_Neg.mzML 0.0 0 555.1642537307556 6.8749833 3762 DG19_Neg.mzML 0.0 0 413.1454188949238 6.9171834 3778 DG19_Neg.mzML 0.0 0 587.1886308171237 6.95075 3789 DG19_Neg.mzML 0.0 0 537.1027011962802 6.993933 3799 DG19_Neg.mzML 0.0 0 163.0388146677241 7.0368667 3801 DG19_Neg.mzML 0.0 0 363.1470948018672 7.0393167 3822 DG19_Neg.mzML 52312.91 0 587.1860289567087 7.16715 3831 DG19_Neg.mzML 0.0 0 551.2121809412316 7.1694665 3834 DG19_Neg.mzML 88400.48 0 174.0544836221497 7.210533 3843 DG19_Neg.mzML 0.0 0 537.1028534148953 7.2101665 3844 DG19_Neg.mzML 0.0 0 569.2350462035936 7.2101665 3863 DG19_Neg.mzML 57784.562 0 163.03874176621957 7.3330336 3883 DG19_Neg.mzML 0.0 0 609.1447046395756 7.3795166 3909 DG19_Neg.mzML 0.0 0 785.2504094857962 7.495 3925 DG19_Neg.mzML 0.0 0 625.139928255315 7.53845 3931 DG19_Neg.mzML 0.0 0 477.1246778194632 7.58075 3938 DG19_Neg.mzML 0.0 0 569.2361055861566 7.623 3940 DG19_Neg.mzML 68487.46 0 369.1440711196251 7.63725 3941 DG19_Neg.mzML 60641.65 0 525.1020141760074 7.63725 3945 DG19_Neg.mzML 0.0 0 395.1378587505287 7.6640835 3963 DG19_Neg.mzML 0.0 0 533.2591128410654 7.7089667 3967 DG19_Neg.mzML 198826.08 0 581.2201611354795 7.757467 3968 DG19_Neg.mzML 0.0 0 413.1453039109616 7.7467165 3977 DG19_Neg.mzML 137110.84 0 174.05466764689578 7.757467 3978 DG19_Neg.mzML 89716.74 0 163.0389977132467 7.7778945 3991 DG19_Neg.mzML 277490.44 0 617.1973915935637 7.7977834 3997 DG19_Neg.mzML 0.0 0 721.1971939829808 7.828417 4020 DG19_Neg.mzML 0.0 0 617.2005640805664 7.9096165 4022 DG19_Neg.mzML 0.0 0 651.1093665303861 7.915983 4023 DG19_Neg.mzML 0.0 0 661.1367444421619 7.915983 4042 DG19_Neg.mzML 37520.184 0 324.05346210623384 7.9610167 4043 DG19_Neg.mzML 69058.305 0 721.194203731545 7.9610167 4058 DG19_Neg.mzML 0.0 0 363.1469410727651 8.03235 4067 DG19_Neg.mzML 22225.732 0 405.1653735481514 8.093634 4076 DG19_Neg.mzML 0.0 0 539.2227214470597 8.15445 4078 DG19_Neg.mzML 0.0 0 549.2541155967807 8.15445 4089 DG19_Neg.mzML 29574.137 0 551.2081425430645 8.191116 4096 DG19_Neg.mzML 0.0 0 755.2393413639733 8.196716 4099 DG19_Neg.mzML 0.0 0 651.1065794881372 8.206833 4108 DG19_Neg.mzML 0.0 0 593.1486997711334 8.250633 4110 DG19_Neg.mzML 0.0 0 661.1346569559385 8.250633 4117 DG19_Neg.mzML 0.0 0 756.2425434313994 8.281183 4136 DG19_Neg.mzML 0.0 0 607.1293083012567 8.387983 4153 DG19_Neg.mzML 0.0 0 653.1080510404753 8.479716 4156 DG19_Neg.mzML 0.0 0 395.136946540212 8.503767 4161 DG19_Neg.mzML 0.0 0 339.0503850821456 8.523467 4173 DG19_Neg.mzML 0.0 0 651.1062573273746 8.567033 4201 DG19_Neg.mzML 0.0 0 607.1267725623109 8.713249 4211 DG19_Neg.mzML 52439.04 0 595.1389286859406 8.75905 4214 DG19_Neg.mzML 0.0 0 537.1030973797673 8.770333 4221 DG19_Neg.mzML 0.0 0 661.1340906840901 8.80155 4237 DG19_Neg.mzML 0.0 0 339.0507976611167 8.847883 4239 DG19_Neg.mzML 0.0 0 539.2244843755054 8.847883 4244 DG19_Neg.mzML 0.0 0 549.2543745939425 8.889566 4260 DG19_Neg.mzML 0.0 0 587.1893011881049 8.979767 4269 DG19_Neg.mzML 0.0 0 487.0670208260712 8.983033 4280 DG19_Neg.mzML 0.0 0 551.2134530534543 9.067083 4291 DG19_Neg.mzML 236962.33 0 587.1869428793788 9.139334 4293 DG19_Neg.mzML 0.0 0 667.1046860194383 9.145567 4296 DG19_Neg.mzML 0.0 0 591.1354378313945 9.15155 4299 DG19_Neg.mzML 103654.16 0 589.184763607837 9.177366 4300 DG19_Neg.mzML 121131.14 0 551.2103103609362 9.177366 4313 DG19_Neg.mzML 32902.7 0 350.12298947444884 9.216634 4319 DG19_Neg.mzML 0.0 0 593.1488063224418 9.24555 4337 DG19_Neg.mzML 52687.23 0 609.1447118423112 9.343275 4339 DG19_Neg.mzML 0.0 0 395.13726010021264 9.3792 4366 DG19_Neg.mzML 0.0 0 661.1364476380811 9.519 4384 DG19_Neg.mzML 150275.5 0 489.0808756021892 9.585167 4396 DG19_Neg.mzML 101950.09 0 487.0654901161592 9.614742 4406 DG19_Neg.mzML 145093.52 0 339.0499860785471 9.627708 4410 DG19_Neg.mzML 292711.38 0 491.0964693709005 9.656708 4411 DG19_Neg.mzML 828090.9 0 537.1022230366549 9.660389 4412 DG19_Neg.mzML 83085.695 0 635.0697461946498 9.6679 4439 DG19_Neg.mzML 0.0 0 661.1330699047221 9.72115 4444 DG19_Neg.mzML 384610.56 0 521.1997593504691 9.745383 4445 DG19_Neg.mzML 776050.7 0 557.1772960587012 9.745383 4449 DG19_Neg.mzML 0.0 0 623.1963458393867 9.746384 4477 DG19_Neg.mzML 0.0 0 521.2002264943351 9.856617 4484 DG19_Neg.mzML 0.0 0 677.1280531093555 9.8677 4491 DG19_Neg.mzML 0.0 0 651.1061644859938 9.886617 4499 DG19_Neg.mzML 0.0 0 557.1764330236751 9.927667 4526 DG19_Neg.mzML 91651.7 0 609.1433608323669 10.071466 4531 DG19_Neg.mzML 33000.332 0 181.0121562160156 10.132283 4532 DG19_Neg.mzML 34788.492 0 350.1226532127204 10.132283 4536 DG19_Neg.mzML 0.0 0 607.1272124185367 10.150567 4551 DG19_Neg.mzML 80088.11 0 609.1435675253407 10.214566 4557 DG19_Neg.mzML 0.0 0 677.1268739556579 10.232683 4566 DG19_Neg.mzML 0.0 0 667.102711393009 10.2703 4574 DG19_Neg.mzML 0.0 0 407.1819820209384 10.345966 4604 DG19_Neg.mzML 0.0 0 417.2100513738445 10.476367 4626 DG19_Neg.mzML 26695.424 0 255.8208133748849 10.58875 4641 DG19_Neg.mzML 0.0 0 483.0681872328611 10.684317 4643 DG19_Neg.mzML 0.0 0 510.0871050364746 10.684317 4644 DG19_Neg.mzML 0.0 0 515.0783569736238 10.684317 4647 DG19_Neg.mzML 72840.8 0 369.14514882428944 10.689016 4652 DG19_Neg.mzML 38999.777 0 261.1330136959865 10.719358 4658 DG19_Neg.mzML 0.0 0 896.1926255540367 10.72685 4660 DG19_Neg.mzML 34142.1 0 255.821265111655 10.736716 4674 DG19_Neg.mzML 0.0 0 895.189569159968 10.80625 4680 DG19_Neg.mzML 0.0 0 407.1786110799649 10.837733 4687 DG19_Neg.mzML 0.0 0 505.0511748713864 10.843984 4690 DG19_Neg.mzML 74566.1 0 369.1444306539172 10.826467 4701 DG19_Neg.mzML 0.0 0 555.1629691354218 10.9188 4703 DG19_Neg.mzML 0.0 0 417.2105707777857 10.961866 4705 DG19_Neg.mzML 0.0 0 510.0869537421452 10.922267 4710 DG19_Neg.mzML 34815.9 0 255.82051580990543 10.923567 4716 DG19_Neg.mzML 36561.27 0 195.80925469926308 10.970233 4717 DG19_Neg.mzML 44168.156 0 197.8063645284512 10.970233 4725 DG19_Neg.mzML 0.0 0 391.10293505937193 11.009983 4728 DG19_Neg.mzML 97862.41 0 144.0443516420476 11.016434 4729 DG19_Neg.mzML 36680.36 0 305.1051854485231 11.016434 4735 DG19_Neg.mzML 0.0 0 407.1817511641921 11.048625 4742 DG19_Neg.mzML 0.0 0 417.2087742790121 11.04595 4748 DG19_Neg.mzML 0.0 0 391.10282305768254 11.135616 4757 DG19_Neg.mzML 0.0 0 144.0446043636481 11.135616 4770 DG19_Neg.mzML 0.0 0 347.1509479608018 11.220966 4773 DG19_Neg.mzML 0.0 0 615.1551102435195 11.220966 4777 DG19_Neg.mzML 0.0 0 809.2452487281954 11.250167 4785 DG19_Neg.mzML 0.0 0 224.09127154423123 11.291083 4819 DG19_Neg.mzML 35845.08 0 305.10532757108945 11.4819 4824 DG19_Neg.mzML 0.0 0 809.2474120765353 11.513984 4826 DG19_Neg.mzML 0.0 0 505.0497361204429 11.524917 4827 DG19_Neg.mzML 0.0 0 510.0862125899871 11.524917 4834 DG19_Neg.mzML 0.0 0 579.1774267008709 11.556983 4843 DG19_Neg.mzML 67477.55 0 463.0874650559268 11.585899 4848 DG19_Neg.mzML 0.0 0 447.0903434624061 11.6044 4850 DG19_Neg.mzML 0.0 0 483.0674153641432 11.6044 4853 DG19_Neg.mzML 0.0 0 515.0772292362906 11.6044 4855 DG19_Neg.mzML 0.0 0 895.1878205531706 11.6044 4856 DG19_Neg.mzML 0.0 0 896.191338207239 11.6044 4869 DG19_Neg.mzML 0.0 0 505.0495584944893 11.678683 4890 DG19_Neg.mzML 185427.05 0 144.04448137581463 11.749458 4915 DG19_Neg.mzML 35599.39 0 195.02907952455243 11.85875 4926 DG19_Neg.mzML 43709.8 0 305.1051884911869 11.939317 4948 DG19_Neg.mzML 201246.34 0 369.1447787083269 12.0237665 4950 DG19_Neg.mzML 107645.8 0 463.0876120928695 12.0237665 4951 DG19_Neg.mzML 74892.25 0 555.1632139502796 12.0237665 4952 DG19_Neg.mzML 50054.945 0 160.03902595469427 12.0237665 4965 DG19_Neg.mzML 251780.0 0 369.14442964149794 12.1565 4971 DG19_Neg.mzML 0.0 0 391.1018221056387 12.196 4980 DG19_Neg.mzML 161711.17 0 463.08734329835374 12.2396755 4986 DG19_Neg.mzML 0.0 0 785.2477345091798 12.2406 4994 DG19_Neg.mzML 0.0 0 347.1510137455229 12.321533 4995 DG19_Neg.mzML 77829.734 0 305.1049882278373 12.329 5006 DG19_Neg.mzML 30437.154 0 455.1027725235817 12.4264 5014 DG19_Neg.mzML 118593.92 0 353.150229882478 12.469717 5017 DG19_Neg.mzML 0.0 0 313.1165352916661 12.4963 5019 DG19_Neg.mzML 49149.3 0 389.1272756181787 12.510834 5027 DG19_Neg.mzML 0.0 0 391.10269405709386 12.527583 5031 DG19_Neg.mzML 35140.72 0 799.1876730161651 12.553017 5039 DG19_Neg.mzML 0.0 0 579.1705875346875 12.6097 5040 DG19_Neg.mzML 0.0 0 615.1473741078573 12.6097 5051 DG19_Neg.mzML 0.0 0 521.1279085122769 12.6878 5055 DG19_Neg.mzML 35374.496 0 231.1223387367389 12.7383 5056 DG19_Neg.mzML 0.0 0 493.14742162308863 12.778383 5068 DG19_Neg.mzML 0.0 0 745.3005053884788 12.79245 5075 DG19_Neg.mzML 0.0 0 755.2382150088442 12.8188 5079 DG19_Neg.mzML 59362.15 0 521.1300372005411 12.870583 5099 DG19_Neg.mzML 0.0 0 799.2637945701301 13.02965 5117 DG19_Neg.mzML 0.0 0 151.03897069356475 13.24105 5119 DG19_Neg.mzML 0.0 0 615.2757534221198 13.197917 5137 DG19_Neg.mzML 0.0 0 733.1948111380625 13.28635 5138 DG19_Neg.mzML 0.0 0 763.2042314191028 13.28635 5141 DG19_Neg.mzML 260738.19 0 187.09644877496004 13.322383 5145 DG19_Neg.mzML 0.0 0 313.1171166975939 13.33395 5149 DG19_Neg.mzML 111400.54 0 555.163806821713 13.367084 5154 DG19_Neg.mzML 84434.76 0 383.16118287405294 13.406266 5158 DG19_Neg.mzML 0.0 0 405.1592597617168 13.40705 5163 DG19_Neg.mzML 113975.91 0 733.1980349792087 13.445316 5168 DG19_Neg.mzML 0.0 0 287.1488034912687 13.4464 5182 DG19_Neg.mzML 0.0 0 187.09572475446444 13.499984 5186 DG19_Neg.mzML 0.0 0 623.1964297004776 13.5320835 5191 DG19_Neg.mzML 0.0 0 763.2028453950617 13.539884 5199 DG19_Neg.mzML 82996.12 0 527.1345112900133 13.568817 5217 DG19_Neg.mzML 291174.7 0 764.2116812695274 13.650217 5218 DG19_Neg.mzML 67379.23 0 831.1945946440238 13.650217 5220 DG19_Neg.mzML 0.0 0 769.2539253874838 13.622967 5226 DG19_Neg.mzML 748404.25 0 763.2086813711807 13.650217 5238 DG19_Neg.mzML 212224.64 0 799.184977632253 13.6932 5260 DG19_Neg.mzML 466167.66 0 187.0963094886678 13.861495 5266 DG19_Neg.mzML 0.0 0 799.2637795304372 13.86995 5286 DG19_Neg.mzML 0.0 0 691.1853513733922 14.014883 5288 DG19_Neg.mzML 57959.035 0 521.1299632906804 14.0296 5289 DG19_Neg.mzML 34042.246 0 193.04903729380885 14.037633 5313 DG19_Neg.mzML 0.0 0 521.1295670239804 14.1717 5316 DG19_Neg.mzML 0.0 0 585.2664259433675 14.1717 5327 DG19_Neg.mzML 0.0 0 595.2948096989343 14.2135 5328 DG19_Neg.mzML 31915.078 0 361.1006400373482 14.2128 5335 DG19_Neg.mzML 0.0 0 405.15821285542665 14.255983 5340 DG19_Neg.mzML 0.0 0 835.2395787579052 14.255983 5346 DG19_Neg.mzML 31839.328 0 347.0327768638324 14.309116 5349 DG19_Neg.mzML 0.0 0 799.2643362180626 14.2975 5350 DG19_Neg.mzML 0.0 0 800.2673452929367 14.2975 5360 DG19_Neg.mzML 0.0 0 635.1102079534463 14.3394 5363 DG19_Neg.mzML 134297.53 0 311.05526830333224 14.342617 5364 DG19_Neg.mzML 32390.986 0 309.0405271809209 14.358583 5382 DG19_Neg.mzML 0.0 0 405.1571030649828 14.544967 5392 DG19_Neg.mzML 30299.709 0 661.1386324723072 14.605575 5397 DG19_Neg.mzML 629051.56 0 593.1506577556037 14.629 5418 DG19_Neg.mzML 164863.56 0 193.04914738633232 14.7418 5420 DG19_Neg.mzML 300727.94 0 137.02362861328737 14.757616 5447 DG19_Neg.mzML 0.0 0 193.0494736438729 14.87265 5450 DG19_Neg.mzML 0.0 0 769.2530003277922 14.87265 5457 DG19_Neg.mzML 0.0 0 577.1521987618576 14.893817 5458 DG19_Neg.mzML 0.0 0 613.1290567626033 14.893817 5460 DG19_Neg.mzML 0.0 0 635.1104493131245 14.893817 5462 DG19_Neg.mzML 0.0 0 645.1385461782595 14.893817 5469 DG19_Neg.mzML 73364.016 0 691.1852659461111 14.94025 5470 DG19_Neg.mzML 47082.633 0 727.1627943736761 14.9007 5471 DG19_Neg.mzML 46589.62 0 651.11030382844 14.94025 5473 DG19_Neg.mzML 51074.117 0 733.1962366192244 14.94025 5494 DG19_Neg.mzML 0.0 0 661.1354254880587 14.995584 5495 DG19_Neg.mzML 1271753.6 0 593.149145990914 15.007709 5502 DG19_Neg.mzML 0.0 0 453.2242156444131 15.075117 5513 DG19_Neg.mzML 0.0 0 463.2529935048033 15.075117 5514 DG19_Neg.mzML 0.0 0 651.1131697253658 15.075117 5535 DG19_Neg.mzML 95925.48 0 309.0397280069511 15.227616 5539 DG19_Neg.mzML 332061.06 0 311.0552594055188 15.23605 5541 DG19_Neg.mzML 0.0 0 629.2391211108138 15.251133 5543 DG19_Neg.mzML 75258.836 0 347.03223517589254 15.264983 5550 DG19_Neg.mzML 0.0 0 243.1215964280396 15.293067 5577 DG19_Neg.mzML 61359.75 0 243.12268633007812 15.402567 5586 DG19_Neg.mzML 297501.6 0 193.0491771467249 15.422379 5598 DG19_Neg.mzML 364258.72 0 137.02368447353822 15.521611 5618 DG19_Neg.mzML 0.0 0 639.1553137386283 15.707784 5622 DG19_Neg.mzML 0.0 0 675.1391884426622 15.752633 5633 DG19_Neg.mzML 146808.44 0 343.2114877815922 15.840584 5649 DG19_Neg.mzML 0.0 0 673.1837237631448 15.885567 5671 DG19_Neg.mzML 102917.22 0 243.1218739718687 15.958324 5680 DG19_Neg.mzML 0.0 0 583.2466173437159 16.00215 5715 DG19_Neg.mzML 43627.363 0 337.03441907006953 16.120983 5742 DG19_Neg.mzML 0.0 0 358.068290172722 16.201567 5747 DG19_Neg.mzML 0.0 0 417.081911331325 16.201567 5759 DG19_Neg.mzML 0.0 0 713.1134547505791 16.241 5781 DG19_Neg.mzML 219999.52 0 343.2106383633688 16.285383 5783 DG19_Neg.mzML 0.0 0 358.0690819636292 16.280634 5804 DG19_Neg.mzML 0.0 0 613.1277733347985 16.2884 5819 DG19_Neg.mzML 0.0 0 577.1520004864068 16.3298 5833 DG19_Neg.mzML 0.0 0 717.1421241974024 16.370083 5857 DG19_Neg.mzML 0.0 0 607.160884726321 16.4118 5874 DG19_Neg.mzML 0.0 0 675.1480982882313 16.451883 5904 DG19_Neg.mzML 1581834.0 0 447.09171642989975 16.504108 5959 DG19_Neg.mzML 0.0 0 509.2930062745298 16.645634 5994 DG19_Neg.mzML 0.0 0 895.1698052800642 16.766317 6016 DG19_Neg.mzML 0.0 0 431.0968793307951 16.8092 6022 DG19_Neg.mzML 349458.1 0 537.1020538325597 16.815716 6058 DG19_Neg.mzML 442991.53 0 431.0968546427189 16.938917 6059 DG19_Neg.mzML 317891.44 0 467.0730366454667 16.938917 6067 DG19_Neg.mzML 0.0 0 895.1688938426263 16.965567 6086 DG19_Neg.mzML 0.0 0 728.1307171957458 16.965567 6095 DG19_Neg.mzML 0.0 0 353.147962979842 17.029118 6106 DG19_Neg.mzML 0.0 0 715.1248556563322 17.050917 6141 DG19_Neg.mzML 413825.06 0 671.1369244378888 17.12455 6144 DG19_Neg.mzML 1912095.5 0 718.1458697800665 17.12455 6165 DG19_Neg.mzML 4775379.0 0 717.141456846018 17.12455 6214 DG19_Neg.mzML 0.0 0 671.1363750700683 17.273235 6245 DG19_Neg.mzML 0.0 0 709.0794717532617 17.314201 6270 DG19_Neg.mzML 0.0 0 343.2103958220898 17.362316 6273 DG19_Neg.mzML 0.0 0 643.138644355023 17.362316 6286 DG19_Neg.mzML 85003.24 0 303.089652614102 17.3981 6313 DG19_Neg.mzML 518058.9 0 467.0722022732275 17.471317 6328 DG19_Neg.mzML 797185.7 0 431.0960135032694 17.50865 6374 DG19_Neg.mzML 784407.8 0 447.0909546684304 17.61965 6385 DG19_Neg.mzML 0.0 0 395.0503337600125 17.648767 6391 DG19_Neg.mzML 0.0 0 343.2102326964592 17.682016 6392 DG19_Neg.mzML 0.0 0 597.2635660231704 17.682016 6407 DG19_Neg.mzML 0.0 0 607.1614870461902 17.72015 6409 DG19_Neg.mzML 0.0 0 643.1385027529027 17.72015 6445 DG19_Neg.mzML 0.0 0 313.0677173754784 17.801916 6460 DG19_Neg.mzML 500005.84 0 395.0524523084193 17.85705 6469 DG19_Neg.mzML 0.0 0 343.2097678232323 17.877533 6475 DG19_Neg.mzML 0.0 0 179.0334492926242 17.878584 6476 DG19_Neg.mzML 0.0 0 313.07001655211064 17.898592 6487 DG19_Neg.mzML 169672.31 0 161.02310652698156 17.926842 6490 DG19_Neg.mzML 72951.53 0 197.0436183972724 17.946384 6497 DG19_Neg.mzML 4220838.0 0 359.0742561721334 17.952017 6512 DG19_Neg.mzML 70437.92 0 381.0579312708574 18.012266 6524 DG19_Neg.mzML 614589.4 0 719.1579596417895 18.012266 6525 DG19_Neg.mzML 61212.6 0 179.0338337830393 18.012266 6530 DG19_Neg.mzML 0.0 0 395.05094714449496 18.013033 6538 DG19_Neg.mzML 92402.38 0 383.1600984802265 18.051584 6539 DG19_Neg.mzML 0.0 0 161.0228899267294 18.039534 6560 DG19_Neg.mzML 157440.17 0 313.070631330098 18.051584 6612 DG19_Neg.mzML 0.0 0 497.0812282515436 18.236732 6644 DG19_Neg.mzML 0.0 0 313.0697216811665 18.362467 6668 DG19_Neg.mzML 0.0 0 357.0589914128022 18.44195 6669 DG19_Neg.mzML 0.0 0 417.0317748316179 18.44195 6691 DG19_Neg.mzML 603485.1 0 395.05405255780215 18.494099 6693 DG19_Neg.mzML 0.0 0 741.1475890587801 18.497932 6730 DG19_Neg.mzML 0.0 0 395.0502252203929 18.603916 6739 DG19_Neg.mzML 0.0 0 717.149105992039 18.606167 6741 DG19_Neg.mzML 0.0 0 357.058536750351 18.642384 6749 DG19_Neg.mzML 0.0 0 719.1650672163848 18.642317 6750 DG19_Neg.mzML 0.0 0 720.1689396589771 18.642317 6767 DG19_Neg.mzML 117027.57 0 197.0447058467009 18.659409 6768 DG19_Neg.mzML 6572934.0 0 359.0753237995079 18.653734 6783 DG19_Neg.mzML 0.0 0 313.0687445972345 18.68005 6785 DG19_Neg.mzML 252163.81 0 161.0234184268784 18.678804 6833 DG19_Neg.mzML 613433.4 0 395.05173119130814 18.7907 6870 DG19_Neg.mzML 0.0 0 359.0766342585108 18.895233 6873 DG19_Neg.mzML 0.0 0 719.1636999951434 18.895233 6888 DG19_Neg.mzML 0.0 0 395.0533664082336 18.968884 6894 DG19_Neg.mzML 0.0 0 741.1391870336815 18.968884 6895 DG19_Neg.mzML 0.0 0 742.1421425162557 18.968884 6897 DG19_Neg.mzML 109014.02 0 343.2108114359547 18.986166 6911 DG19_Neg.mzML 0.0 0 381.0586902489547 19.045784 6922 DG19_Neg.mzML 301404.8 0 733.1933710335162 19.101683 6923 DG19_Neg.mzML 258923.4 0 769.1703571396301 19.101683 6936 DG19_Neg.mzML 0.0 0 263.1265239041477 19.086033 6938 DG19_Neg.mzML 0.0 0 417.0353968221287 19.1312 6957 DG19_Neg.mzML 50303.336 0 599.1883318445449 19.187767 7015 DG19_Neg.mzML 0.0 0 493.22767740228807 19.414083 7019 DG19_Neg.mzML 0.0 0 583.2465557662506 19.442217 7022 DG19_Neg.mzML 0.0 0 483.1994234198775 19.455833 7030 DG19_Neg.mzML 0.0 0 547.2704677017712 19.492216 7045 DG19_Neg.mzML 0.0 0 607.2020555835472 19.539316 7059 DG19_Neg.mzML 0.0 0 597.1734953079364 19.580517 7075 DG19_Neg.mzML 93614.71 0 503.0963116039277 19.625967 7095 DG19_Neg.mzML 30691.293 0 199.09586962823667 19.708267 7108 DG19_Neg.mzML 0.0 0 599.1830742056634 19.78545 7123 DG19_Neg.mzML 0.0 0 609.2158505373804 19.827267 7127 DG19_Neg.mzML 0.0 0 527.2532679627636 19.8537 7128 DG19_Neg.mzML 0.0 0 569.175477999126 19.8537 7134 DG19_Neg.mzML 30338.64 0 365.0790419250887 19.893217 7157 DG19_Neg.mzML 0.0 0 983.2808665065562 20.030134 7177 DG19_Neg.mzML 0.0 0 651.1564095058027 20.076134 7179 DG19_Neg.mzML 0.0 0 709.117848437263 20.076134 7191 DG19_Neg.mzML 0.0 0 607.2030999277218 20.1174 7192 DG19_Neg.mzML 0.0 0 652.159680703141 20.1174 7196 DG19_Neg.mzML 48382.77 0 463.0885611599512 20.136683 7199 DG19_Neg.mzML 0.0 0 597.1747742564713 20.155567 7216 DG19_Neg.mzML 0.0 0 347.24173892264434 20.259216 7225 DG19_Neg.mzML 0.0 0 731.1600396743183 20.268116 7230 DG19_Neg.mzML 41146.22 0 397.1132165068205 20.272 7253 DG19_Neg.mzML 0.0 0 569.1757989123269 20.309483 7267 DG19_Neg.mzML 41406.406 0 397.1122689512204 20.3594 7287 DG19_Neg.mzML 46698.97 0 311.0908309312591 20.4471 7292 DG19_Neg.mzML 0.0 0 879.1983942429124 20.463882 7303 DG19_Neg.mzML 74562.93 0 365.07799051044987 20.4885 7305 DG19_Neg.mzML 0.0 0 983.2819140174267 20.503584 7317 DG19_Neg.mzML 0.0 0 537.2830476626128 20.583767 7337 DG19_Neg.mzML 0.0 0 609.2143164767017 20.651184 7363 DG19_Neg.mzML 0.0 0 535.14311702769 20.811266 7375 DG19_Neg.mzML 0.0 0 343.0826323225848 20.8666 7377 DG19_Neg.mzML 81013.41 0 397.1119853800615 20.878483 7379 DG19_Neg.mzML 204563.12 0 731.1597079471553 20.872541 7389 DG19_Neg.mzML 0.0 0 559.3172872985081 20.907867 7400 DG19_Neg.mzML 0.0 0 557.3024795530298 20.958633 7408 DG19_Neg.mzML 0.0 0 681.1680485361367 20.984766 7411 DG19_Neg.mzML 142282.02 0 489.10002684988297 21.005434 7423 DG19_Neg.mzML 0.0 0 345.2245392055426 21.05325 7443 DG19_Neg.mzML 0.0 0 513.2069907907679 21.09645 7445 DG19_Neg.mzML 0.0 0 525.2424738390457 21.09645 7457 DG19_Neg.mzML 0.0 0 493.1139459089703 21.1379 7465 DG19_Neg.mzML 0.0 0 477.2297908025994 21.139116 7472 DG19_Neg.mzML 0.0 0 535.090166497946 21.177784 7473 DG19_Neg.mzML 0.0 0 559.0861728859848 21.177784 7502 DG19_Neg.mzML 0.0 0 719.1602929541771 21.254583 7520 DG19_Neg.mzML 71160.875 0 559.0821792826275 21.412167 7526 DG19_Neg.mzML 0.0 0 483.20021726619945 21.464733 7542 DG19_Neg.mzML 0.0 0 717.1474126008013 21.549366 7554 DG19_Neg.mzML 0.0 0 295.0611145020093 21.666916 7561 DG19_Neg.mzML 0.0 0 491.0994889719933 21.704967 7570 DG19_Neg.mzML 0.0 0 447.1100188038369 21.704967 7571 DG19_Neg.mzML 511414.78 0 493.1122957211195 21.713818 7580 DG19_Neg.mzML 54843.016 0 535.0871552537515 21.735691 7588 DG19_Neg.mzML 130091.66 0 559.0842449881684 21.769491 7615 DG19_Neg.mzML 32427.988 0 397.1137373710149 21.949383 7621 DG19_Neg.mzML 106686.16 0 653.1502991386352 21.993067 7622 DG19_Neg.mzML 0.0 0 713.1705551718138 21.99185 7637 DG19_Neg.mzML 0.0 0 345.22560518846973 22.115734 7639 DG19_Neg.mzML 0.0 0 597.2675549300635 22.130667 7641 DG19_Neg.mzML 63398.54 0 489.0990345996663 22.1416 7642 DG19_Neg.mzML 0.0 0 201.1116283347032 22.168383 7650 DG19_Neg.mzML 69134.31 0 201.1119154205468 22.234034 7665 DG19_Neg.mzML 0.0 0 401.14024965466274 22.458967 7667 DG19_Neg.mzML 0.0 0 557.3043089399977 22.458967 7670 DG19_Neg.mzML 0.0 0 437.1507699413265 22.508133 7677 DG19_Neg.mzML 0.0 0 653.1507528613707 22.554726 7680 DG19_Neg.mzML 0.0 0 437.1506460109656 22.59355 7683 DG19_Neg.mzML 37773.695 0 329.0662591731119 22.614758 7691 DG19_Neg.mzML 0.0 0 401.1394943462384 22.725317 7694 DG19_Neg.mzML 0.0 0 537.2828305617861 22.728617 7701 DG19_Neg.mzML 0.0 0 743.1515054502514 22.776016 7702 DG19_Neg.mzML 0.0 0 469.1746712515143 22.823467 7706 DG19_Neg.mzML 19608.928 0 629.2230494222753 22.83895 7709 DG19_Neg.mzML 0.0 0 667.1900335649389 22.8705 7712 DG19_Neg.mzML 0.0 0 557.3035971700094 22.971666 7718 DG19_Neg.mzML 0.0 0 623.1634927425339 22.961134 7726 DG19_Neg.mzML 21166.824 0 487.122615704952 23.004683 7740 DG19_Neg.mzML 0.0 0 599.1887832225855 23.070316 7743 DG19_Neg.mzML 0.0 0 493.22934440279175 23.096518 7746 DG19_Neg.mzML 0.0 0 909.1904867980412 23.096518 7751 DG19_Neg.mzML 0.0 0 483.2013754304924 23.1391 7757 DG19_Neg.mzML 24076.51 0 590.1274204512899 23.241533 7759 DG19_Neg.mzML 0.0 0 415.1065574919462 23.281067 7760 DG19_Neg.mzML 0.0 0 459.1822875610776 23.281067 7761 DG19_Neg.mzML 0.0 0 489.15645453815466 23.281067 7765 DG19_Neg.mzML 0.0 0 971.3483614722862 23.367634 7768 DG19_Neg.mzML 0.0 0 177.05659670459588 23.427967 7771 DG19_Neg.mzML 0.0 0 667.1913445843721 23.427967 7776 DG19_Neg.mzML 0.0 0 971.3489361073496 23.465616 7788 DG19_Neg.mzML 0.0 0 705.3778576143902 23.565584 7794 DG19_Neg.mzML 0.0 0 735.169499642732 23.575333 7795 DG19_Neg.mzML 0.0 0 669.4024195594053 23.6127 7798 DG19_Neg.mzML 18206.418 0 533.248544689274 23.67625 7814 DG19_Neg.mzML 0.0 0 583.2173786105435 23.798084 7821 DG19_Neg.mzML 0.0 0 585.2330867892454 23.84325 7823 DG19_Neg.mzML 0.0 0 326.104223097362 23.912733 7824 DG19_Neg.mzML 69120.55 0 343.0817185527588 23.878849 7832 DG19_Neg.mzML 24356.49 0 621.2067595778104 23.946083 7834 DG19_Neg.mzML 0.0 0 307.07180669167224 23.9795 7837 DG19_Neg.mzML 0.0 0 343.0837772963572 24.011 7838 DG19_Neg.mzML 28117.424 0 515.2942864681418 24.042616 7842 DG19_Neg.mzML 0.0 0 537.2830284524656 24.103466 7843 DG19_Neg.mzML 0.0 0 421.2000356133521 24.122433 7844 DG19_Neg.mzML 0.0 0 431.22703574416346 24.122433 7860 DG19_Neg.mzML 0.0 0 343.0805154851769 24.273867 7869 DG19_Neg.mzML 25616.14 0 591.1615126613119 24.34975 7878 DG19_Neg.mzML 0.0 0 351.1579278644204 24.473316 7882 DG19_Neg.mzML 0.0 0 569.179814443787 24.479967 7887 DG19_Neg.mzML 0.0 0 361.1861052705662 24.51425 7891 DG19_Neg.mzML 20355.223 0 555.1871627035608 24.549467 7895 DG19_Neg.mzML 0.0 0 655.3477427920627 24.567966 7901 DG19_Neg.mzML 0.0 0 466.1726170432891 24.616417 7902 DG19_Neg.mzML 136876.64 0 343.0816925793402 24.618668 7906 DG19_Neg.mzML 0.0 0 731.1607502890931 24.67395 7941 DG19_Neg.mzML 0.0 0 983.2799471365922 24.945383 7947 DG19_Neg.mzML 0.0 0 737.1117452738296 24.957117 7958 DG19_Neg.mzML 0.0 0 715.1305591609743 25.039883 7966 DG19_Neg.mzML 0.0 0 466.1717804444048 25.15635 7973 DG19_Neg.mzML 0.0 0 559.2933779178524 25.15635 7976 DG19_Neg.mzML 0.0 0 419.0537354533327 25.161516 7985 DG19_Neg.mzML 22763.04 0 383.077309707895 25.206259 7987 DG19_Neg.mzML 20747.256 0 357.0623296474349 25.208534 7988 DG19_Neg.mzML 23715.402 0 409.0702623402639 25.208534 7997 DG19_Neg.mzML 0.0 0 199.1326908434207 25.273867 7999 DG19_Neg.mzML 0.0 0 548.0930880763578 25.290533 8001 DG19_Neg.mzML 19972.47 0 489.1035541401805 25.3169 8002 DG19_Neg.mzML 45144.332 0 555.1870404396286 25.3169 8005 DG19_Neg.mzML 0.0 0 409.0686877902056 25.33545 8020 DG19_Neg.mzML 0.0 0 829.4406808149491 25.392616 8022 DG19_Neg.mzML 62963.87 0 591.1633234712398 25.41375 8030 DG19_Neg.mzML 0.0 0 433.15645849198194 25.469034 8038 DG19_Neg.mzML 0.0 0 537.6056672718587 25.5186 8050 DG19_Neg.mzML 124951.68 0 373.0923719567104 25.606234 8053 DG19_Neg.mzML 47851.883 0 409.06938749609054 25.62785 8057 DG19_Neg.mzML 0.0 0 548.0942130812434 25.644983 8060 DG19_Neg.mzML 21223.531 0 441.0803873967939 25.6077 8065 DG19_Neg.mzML 0.0 0 537.6040985281156 25.6842 8088 DG19_Neg.mzML 0.0 0 497.1814465563651 26.007683 8089 DG19_Neg.mzML 0.0 0 971.352095741998 26.007683 8105 DG19_Neg.mzML 0.0 0 576.1263212282636 26.2544 8153 DG19_Neg.mzML 85846.67 0 711.0988764554673 26.450117 8161 DG19_Neg.mzML 70429.516 0 737.112147413585 26.496666 8163 DG19_Neg.mzML 307248.78 0 715.1308835171762 26.534666 8165 DG19_Neg.mzML 0.0 0 761.1069771783502 26.5451 8178 DG19_Neg.mzML 0.0 0 611.327195360723 26.584133 8193 DG19_Neg.mzML 0.0 0 795.2644927140609 26.634233 8195 DG19_Neg.mzML 56560.016 0 519.0926777681948 26.638567 8197 DG19_Neg.mzML 42869.137 0 269.0452766276828 26.649666 8207 DG19_Neg.mzML 0.0 0 739.1257734252688 26.666517 8212 DG19_Neg.mzML 99072.59 0 713.1127099686946 26.687784 8218 DG19_Neg.mzML 41979.67 0 625.1353402399383 26.687784 8219 DG19_Neg.mzML 92114.56 0 711.0948944270433 26.69796 8220 DG19_Neg.mzML 0.0 0 672.1418299295807 26.708134 8232 DG19_Neg.mzML 130729.06 0 740.129467538929 26.736732 8238 DG19_Neg.mzML 288780.47 0 671.1394109306145 26.765333 8249 DG19_Neg.mzML 0.0 0 667.3897967208289 26.788666 8258 DG19_Neg.mzML 70242.68 0 737.1114799750544 26.8084 8265 DG19_Neg.mzML 0.0 0 703.366006663922 26.841284 8292 DG19_Neg.mzML 64322.938 0 519.092728857974 26.93335 8296 DG19_Neg.mzML 49275.023 0 679.3678290047883 26.951065 8309 DG19_Neg.mzML 0.0 0 341.1953639229368 27.008333 8310 DG19_Neg.mzML 0.0 0 981.265127928407 27.008333 8318 DG19_Neg.mzML 150950.1 0 740.1291974161036 27.014233 8337 DG19_Neg.mzML 60139.906 0 761.1077285258764 27.092884 8340 DG19_Neg.mzML 0.0 0 209.1171991138358 27.123266 8366 DG19_Neg.mzML 0.0 0 164.92676929067147 27.177134 8370 DG19_Neg.mzML 0.0 0 740.1282419047762 27.21265 8375 DG19_Neg.mzML 566099.44 0 715.1296373334173 27.215683 8397 DG19_Neg.mzML 445301.16 0 739.126518013939 27.273642 8408 DG19_Neg.mzML 0.0 0 358.06786861196525 27.294634 8420 DG19_Neg.mzML 178569.11 0 740.1303647674223 27.3309 8424 DG19_Neg.mzML 95651.31 0 731.1237927127816 27.332985 8428 DG19_Neg.mzML 0.0 0 711.0906431419417 27.336983 8432 DG19_Neg.mzML 0.0 0 341.1960113871401 27.342417 8434 DG19_Neg.mzML 205797.17 0 672.1420305201066 27.354158 8448 DG19_Neg.mzML 122982.53 0 519.0924175301501 27.397467 8469 DG19_Neg.mzML 5539955.0 0 717.1423359925454 27.455833 8474 DG19_Neg.mzML 0.0 0 669.1211919091653 27.462833 8476 DG19_Neg.mzML 601165.44 0 671.1386021206122 27.475449 8481 DG19_Neg.mzML 162742.52 0 711.0985818510995 27.488066 8482 DG19_Neg.mzML 2222921.8 0 718.1485872751155 27.488066 8484 DG19_Neg.mzML 0.0 0 505.1844150131451 27.494667 8506 DG19_Neg.mzML 0.0 0 667.1393164517806 27.577682 8512 DG19_Neg.mzML 0.0 0 525.245931994808 27.598867 8517 DG19_Neg.mzML 0.0 0 740.1260063857497 27.614616 8530 DG19_Neg.mzML 0.0 0 849.1630850760287 27.65105 8547 DG19_Neg.mzML 0.0 0 632.314799517863 27.763283 8555 DG19_Neg.mzML 0.0 0 551.1175034053712 27.821234 8567 DG19_Neg.mzML 362993.53 0 983.201971763962 27.87435 8583 DG19_Neg.mzML 3554855.2 0 491.096726582381 27.990616 8589 DG19_Neg.mzML 274230.16 0 489.0822458501512 28.007435 8597 DG19_Neg.mzML 0.0 0 373.0927486960427 28.043333 8602 DG19_Neg.mzML 0.0 0 665.3894396457331 28.063467 8616 DG19_Neg.mzML 0.0 0 669.4025835179337 28.1418 8631 DG19_Neg.mzML 484668.78 0 983.2043863133626 28.186075 8636 DG19_Neg.mzML 58889.9 0 549.0647544545094 28.199484 8637 DG19_Neg.mzML 0.0 0 705.3750906589901 28.23645 8639 DG19_Neg.mzML 0.0 0 491.097233116756 28.215467 8642 DG19_Neg.mzML 0.0 0 513.0803005666444 28.215467 8643 DG19_Neg.mzML 0.0 0 551.1195673717014 28.215467 8678 DG19_Neg.mzML 0.0 0 549.065474613006 28.327116 8683 DG19_Neg.mzML 0.0 0 667.3871016009886 28.327633 8684 DG19_Neg.mzML 0.0 0 703.3633253350764 28.327633 8687 DG19_Neg.mzML 339953.06 0 551.1203425026546 28.357983 8692 DG19_Neg.mzML 140167.73 0 513.0796046234424 28.394684 8706 DG19_Neg.mzML 74391.56 0 242.99595146553992 28.436617 8720 DG19_Neg.mzML 0.0 0 489.0811350226443 28.472916 8721 DG19_Neg.mzML 0.0 0 491.0964069013303 28.472916 8736 DG19_Neg.mzML 1918214.2 0 983.2023690082792 28.511234 8740 DG19_Neg.mzML 74728.4 0 487.0653860358258 28.512564 8766 DG19_Neg.mzML 0.0 0 549.0801406990357 28.622984 8768 DG19_Neg.mzML 134773.06 0 513.0789128165255 28.627266 8776 DG19_Neg.mzML 0.0 0 667.3871693814806 28.637184 8802 DG19_Neg.mzML 159871.86 0 489.09181355566665 28.786734 8808 DG19_Neg.mzML 0.0 0 353.0264989377926 28.822666 8810 DG19_Neg.mzML 0.0 0 759.283137051104 28.822666 8816 DG19_Neg.mzML 440067.25 0 285.03920948633754 28.843416 8820 DG19_Neg.mzML 819713.56 0 491.0971681202829 28.864166 8824 DG19_Neg.mzML 270581.38 0 507.0923182065201 28.864166 8827 DG19_Neg.mzML 0.0 0 283.0235727869066 28.87075 8844 DG19_Neg.mzML 0.0 0 955.2885831618756 28.955116 8860 DG19_Neg.mzML 0.0 0 505.11092525171415 29.021334 8864 DG19_Neg.mzML 0.0 0 613.2301680198118 29.04225 8876 DG19_Neg.mzML 111228.03 0 573.100488506183 29.081766 8888 DG19_Neg.mzML 0.0 0 609.0758702456998 29.099466 8898 DG19_Neg.mzML 1733938.9 0 551.117262319133 29.121433 8906 DG19_Neg.mzML 98940.16 0 505.1096680688501 29.1434 8913 DG19_Neg.mzML 0.0 0 489.2666881160543 29.175333 8923 DG19_Neg.mzML 0.0 0 637.3769824118997 29.262684 8927 DG19_Neg.mzML 0.0 0 850.1666751115761 29.262684 8930 DG19_Neg.mzML 0.0 0 257.13764036667567 29.268583 8932 DG19_Neg.mzML 0.0 0 213.11146998011696 29.268583 8934 DG19_Neg.mzML 0.0 0 675.3624734132937 29.303783 8942 DG19_Neg.mzML 0.0 0 543.3263561933395 29.3084 8945 DG19_Neg.mzML 355112.1 0 849.1638021202543 29.324932 8953 DG19_Neg.mzML 96441.664 0 871.1460948981013 29.344868 8956 DG19_Neg.mzML 140687.19 0 473.1077449939382 29.346083 8959 DG19_Neg.mzML 142453.58 0 509.0852641591574 29.346083 8974 DG19_Neg.mzML 169170.9 0 850.1674529390341 29.38595 8978 DG19_Neg.mzML 0.0 0 639.2992418209275 29.4074 8999 DG19_Neg.mzML 0.0 0 371.07693928720585 29.559816 9000 DG19_Neg.mzML 300599.25 0 409.06814283033145 29.5484 9003 DG19_Neg.mzML 357707.06 0 373.0916627858617 29.561707 9017 DG19_Neg.mzML 0.0 0 667.3855306943761 29.61995 9018 DG19_Neg.mzML 0.0 0 703.3616960828656 29.61995 9027 DG19_Neg.mzML 0.0 0 449.2720944406808 29.659483 9029 DG19_Neg.mzML 0.0 0 673.3539455941476 29.669767 9037 DG19_Neg.mzML 0.0 0 325.2004366173725 29.704082 9039 DG19_Neg.mzML 0.0 0 583.216376876246 29.70075 9042 DG19_Neg.mzML 102553.25 0 705.377089060876 29.72305 9053 DG19_Neg.mzML 0.0 0 489.26811507902687 29.789717 9055 DG19_Neg.mzML 0.0 0 639.3918256443384 29.792667 9059 DG19_Neg.mzML 52492.406 0 667.3883986721111 29.80805 9061 DG19_Neg.mzML 141206.52 0 703.3654353058637 29.80805 9069 DG19_Neg.mzML 0.0 0 675.3684026478411 29.835533 9075 DG19_Neg.mzML 0.0 0 437.2281719691932 29.835318 9087 DG19_Neg.mzML 0.0 0 577.2844190168606 29.918617 9106 DG19_Neg.mzML 0.0 0 667.3852405988762 30.051567 9115 DG19_Neg.mzML 0.0 0 665.1696471549475 30.04385 9117 DG19_Neg.mzML 0.0 0 733.1595932390088 30.04385 9126 DG19_Neg.mzML 0.0 0 703.3619269150794 30.051567 9139 DG19_Neg.mzML 0.0 0 639.2989026110884 30.089817 9141 DG19_Neg.mzML 0.0 0 675.2751135480559 30.089817 9146 DG19_Neg.mzML 71909.02 0 205.04935257952744 30.093613 9151 DG19_Neg.mzML 0.0 0 517.0785523803604 30.13015 9157 DG19_Neg.mzML 35539.742 0 761.1725181256185 30.150734 9171 DG19_Neg.mzML 0.0 0 213.1115929006833 30.218018 9184 DG19_Neg.mzML 50414.367 0 651.1529571324061 30.244217 9187 DG19_Neg.mzML 255298.67 0 361.0476537404824 30.251558 9189 DG19_Neg.mzML 656001.1 0 325.07091697399585 30.251558 9197 DG19_Neg.mzML 184799.78 0 323.0552707920684 30.274324 9198 DG19_Neg.mzML 57831.227 0 491.28377126334567 30.296082 9215 DG19_Neg.mzML 32835.11 0 291.1226679081101 30.38135 9217 DG19_Neg.mzML 40906.62 0 935.2038819363064 30.38135 9227 DG19_Neg.mzML 0.0 0 541.3115075005167 30.386524 9228 DG19_Neg.mzML 0.0 0 437.2285144946967 30.427633 9236 DG19_Neg.mzML 0.0 0 325.2005024693522 30.427633 9242 DG19_Neg.mzML 0.0 0 287.1483979408675 30.4741 9251 DG19_Neg.mzML 0.0 0 489.26795060471176 30.52135 9256 DG19_Neg.mzML 0.0 0 385.0920219279377 30.51865 9257 DG19_Neg.mzML 0.0 0 421.0686573445775 30.51865 9268 DG19_Neg.mzML 0.0 0 695.2164849830577 30.559317 9275 DG19_Neg.mzML 179232.2 0 543.3255241421072 30.5725 9276 DG19_Neg.mzML 125891.77 0 701.149341445418 30.574642 9282 DG19_Neg.mzML 0.0 0 673.3515902437497 30.602182 9287 DG19_Neg.mzML 60092.098 0 577.2202016733611 30.63035 9292 DG19_Neg.mzML 0.0 0 357.2268364771569 30.6531 9297 DG19_Neg.mzML 98657.42 0 731.1596291398131 30.672567 9313 DG19_Neg.mzML 0.0 0 688.3676626963456 30.740767 9325 DG19_Neg.mzML 1695562.6 0 507.0920683343145 30.769466 9338 DG19_Neg.mzML 262526.6 0 505.07817770363135 30.7591 9349 DG19_Neg.mzML 274259.25 0 503.0958358832165 30.8087 9353 DG19_Neg.mzML 0.0 0 693.1668036171226 30.82015 9354 DG19_Neg.mzML 122385.586 0 215.1275225524646 30.82564 9367 DG19_Neg.mzML 0.0 0 695.2160353406499 30.8608 9418 DG19_Neg.mzML 0.0 0 395.2026314681021 31.04226 9419 DG19_Neg.mzML 286994.7 0 327.2157452395255 31.029785 9420 DG19_Neg.mzML 0.0 0 363.1918567194693 31.022942 9423 DG19_Neg.mzML 0.0 0 385.173976761491 31.04226 9450 DG19_Neg.mzML 47919.67 0 439.24450801868295 31.0862 9451 DG19_Neg.mzML 262542.22 0 505.1116499070441 31.12685 9452 DG19_Neg.mzML 286522.22 0 809.3005101427759 31.12685 9456 DG19_Neg.mzML 138563.28 0 810.3047412355965 31.12685 9457 DG19_Neg.mzML 99355.59 0 541.0908773524859 31.12685 9463 DG19_Neg.mzML 0.0 0 677.2049049888813 31.139633 9480 DG19_Neg.mzML 54046.28 0 521.3276709742088 31.16655 9485 DG19_Neg.mzML 0.0 0 283.1073864615372 31.183968 9510 DG19_Neg.mzML 0.0 0 325.1994022191601 31.2678 9512 DG19_Neg.mzML 0.0 0 541.308957281458 31.2678 9515 DG19_Neg.mzML 36520.78 0 765.3159882052889 31.296034 9528 DG19_Neg.mzML 0.0 0 327.2158235590755 31.3459 9530 DG19_Neg.mzML 0.0 0 385.1732770071819 31.349417 9532 DG19_Neg.mzML 0.0 0 437.2284952848811 31.349417 9544 DG19_Neg.mzML 176749.25 0 541.3127344062484 31.3612 9557 DG19_Neg.mzML 52762.633 0 649.3920467120325 31.3886 9564 DG19_Neg.mzML 51492.9 0 169.08617387508914 31.434116 9567 DG19_Neg.mzML 0.0 0 519.2730867566709 31.460333 9569 DG19_Neg.mzML 0.0 0 257.1375332276811 31.4747 9574 DG19_Neg.mzML 0.0 0 577.1312011720665 31.501467 9575 DG19_Neg.mzML 0.0 0 599.1155932261543 31.501467 9582 DG19_Neg.mzML 0.0 0 519.3112665545364 31.519367 9591 DG19_Neg.mzML 46330.28 0 327.21545787379443 31.57505 9593 DG19_Neg.mzML 0.0 0 395.2030258200655 31.578468 9596 DG19_Neg.mzML 0.0 0 541.3104785974566 31.6053 9606 DG19_Neg.mzML 44411.457 0 543.3242585280339 31.623034 9609 DG19_Neg.mzML 0.0 0 617.349834311706 31.636784 9610 DG19_Neg.mzML 0.0 0 653.3290107486027 31.636784 9614 DG19_Neg.mzML 0.0 0 548.3397546968126 31.648184 9663 DG19_Neg.mzML 0.0 0 252.1223625311873 31.81965 9670 DG19_Neg.mzML 55669.312 0 517.316500059773 31.843718 9675 DG19_Neg.mzML 0.0 0 731.1582161726568 31.8518 9677 DG19_Neg.mzML 0.0 0 313.06974200613274 31.85925 9687 DG19_Neg.mzML 0.0 0 325.1997527914024 31.85925 9688 DG19_Neg.mzML 271064.75 0 809.3037945524915 31.8876 9690 DG19_Neg.mzML 46593.33 0 845.2821396540154 31.8876 9703 DG19_Neg.mzML 0.0 0 327.2158758444787 31.93495 9706 DG19_Neg.mzML 0.0 0 695.2153000734577 31.93495 9727 DG19_Neg.mzML 33535.832 0 541.3123420813167 32.00406 9736 DG19_Neg.mzML 0.0 0 426.2838635451365 32.01779 9740 DG19_Neg.mzML 0.0 0 713.112120263228 32.01808 9744 DG19_Neg.mzML 0.0 0 297.1231494439484 32.05725 9754 DG19_Neg.mzML 43843.51 0 345.2274650658861 32.11152 9760 DG19_Neg.mzML 62059.805 0 831.4373509098505 32.126366 9765 DG19_Neg.mzML 0.0 0 813.4497440459148 32.142384 9767 DG19_Neg.mzML 0.0 0 487.0655567937653 32.142883 9782 DG19_Neg.mzML 28742.648 0 541.3139714106638 32.207283 9794 DG19_Neg.mzML 316060.9 0 331.24798786858 32.259693 9797 DG19_Neg.mzML 0.0 0 367.2210338802735 32.261883 9800 DG19_Neg.mzML 0.0 0 512.3004160365724 32.265533 9810 DG19_Neg.mzML 1842186.1 0 269.0450166085988 32.297974 9851 DG19_Neg.mzML 1158971.4 0 329.23193956282216 32.419056 9852 DG19_Neg.mzML 96506.62 0 365.20819379409767 32.419056 9854 DG19_Neg.mzML 100675.54 0 397.21925358567074 32.419056 9856 DG19_Neg.mzML 117955.52 0 505.113404301953 32.419617 9874 DG19_Neg.mzML 0.0 0 512.2958549352244 32.457283 9888 DG19_Neg.mzML 0.0 0 439.2761913722868 32.53858 9900 DG19_Neg.mzML 0.0 0 677.2066572293844 32.579384 9923 DG19_Neg.mzML 0.0 0 521.2844269879639 32.654385 9927 DG19_Neg.mzML 0.0 0 299.0543536325225 32.65605 9932 DG19_Neg.mzML 0.0 0 509.24908078789656 32.65605 9937 DG19_Neg.mzML 286623.3 0 313.07081794806453 32.659134 9938 DG19_Neg.mzML 115090.59 0 349.0480053729852 32.660675 9940 DG19_Neg.mzML 0.0 0 361.1760389236524 32.693466 9952 DG19_Neg.mzML 0.0 0 283.1537749170954 32.736633 9979 DG19_Neg.mzML 0.0 0 321.1337923513391 32.86487 9988 DG19_Neg.mzML 94605.07 0 327.2160507757472 32.879063 9989 DG19_Neg.mzML 0.0 0 385.17363815681085 32.896782 9990 DG19_Neg.mzML 0.0 0 395.20173974037766 32.896782 10009 DG19_Neg.mzML 0.0 0 709.2336398429484 32.904316 10010 DG19_Neg.mzML 58542.02 0 565.1362158305915 32.91109 10042 DG19_Neg.mzML 0.0 0 577.132694739715 32.982983 10050 DG19_Neg.mzML 0.0 0 428.2969719113477 33.016933 10056 DG19_Neg.mzML 0.0 0 514.3107017819424 33.016933 10060 DG19_Neg.mzML 0.0 0 667.3315335051798 33.02325 10069 DG19_Neg.mzML 28575.32 0 301.2006801456749 33.054665 10083 DG19_Neg.mzML 118904.734 0 689.388603569425 33.088768 10098 DG19_Neg.mzML 77241.98 0 737.1152901344966 33.13027 10104 DG19_Neg.mzML 0.0 0 509.2480204631457 33.139534 10132 DG19_Neg.mzML 0.0 0 597.23214680972 33.223434 10145 DG19_Neg.mzML 48413.95 0 287.221031999188 33.254597 10152 DG19_Neg.mzML 0.0 0 711.1921417755847 33.2767 10154 DG19_Neg.mzML 0.0 0 426.2821242554304 33.304432 10162 DG19_Neg.mzML 113929.29 0 445.094400322622 33.304466 10183 DG19_Neg.mzML 0.0 0 440.297026834865 33.34485 10192 DG19_Neg.mzML 57210.215 0 419.2646900071938 33.386234 10212 DG19_Neg.mzML 82317.625 0 329.23167784138514 33.447124 10241 DG19_Neg.mzML 61650.332 0 229.14394217728915 33.519733 10244 DG19_Neg.mzML 101730.54 0 649.3967582947571 33.519733 10283 DG19_Neg.mzML 0.0 0 537.0808377246697 33.604084 10286 DG19_Neg.mzML 70599.03 0 687.372284077692 33.604782 10297 DG19_Neg.mzML 151056.17 0 329.23220891011016 33.646793 10307 DG19_Neg.mzML 0.0 0 692.353922725034 33.642185 10334 DG19_Neg.mzML 43888.938 0 539.2979430344288 33.69865 10336 DG19_Neg.mzML 0.0 0 307.18848010664937 33.710716 10341 DG19_Neg.mzML 0.0 0 449.2383376586226 33.724068 10366 DG19_Neg.mzML 43816.664 0 309.2046574500752 33.794426 10387 DG19_Neg.mzML 34144.67 0 239.12778353039408 33.861183 10388 DG19_Neg.mzML 0.0 0 578.3055684075605 33.863274 10390 DG19_Neg.mzML 159363.53 0 445.0943752446582 33.890865 10391 DG19_Neg.mzML 42736.12 0 385.2237233198856 33.890865 10407 DG19_Neg.mzML 0.0 0 431.2268933050656 33.893433 10414 DG19_Neg.mzML 0.0 0 491.315769951644 33.937 10425 DG19_Neg.mzML 41375.8 0 307.19040767179456 33.967697 10427 DG19_Neg.mzML 0.0 0 487.2864395129765 33.981182 10432 DG19_Neg.mzML 0.0 0 447.3307649242141 34.024532 10439 DG19_Neg.mzML 45895.215 0 387.28597361162696 34.028435 10440 DG19_Neg.mzML 0.0 0 341.2313963138401 34.0436 10443 DG19_Neg.mzML 0.0 0 409.2176670313427 34.0436 10445 DG19_Neg.mzML 0.0 0 524.2950385711423 34.0436 10446 DG19_Neg.mzML 64851.652 0 329.2321594152186 34.06097 10461 DG19_Neg.mzML 0.0 0 442.31371809781615 34.084183 10462 DG19_Neg.mzML 75959.74 0 505.11623754831874 34.116783 10464 DG19_Neg.mzML 0.0 0 322.2003862245931 34.09584 10506 DG19_Neg.mzML 0.0 0 487.2886305206723 34.23575 10522 DG19_Neg.mzML 0.0 0 309.20575223324084 34.285816 10523 DG19_Neg.mzML 0.0 0 341.2290430470754 34.285816 10529 DG19_Neg.mzML 0.0 0 440.2979451148586 34.299484 10533 DG19_Neg.mzML 0.0 0 623.1189128614716 34.330303 10545 DG19_Neg.mzML 26265.762 0 593.270258782586 34.357117 10547 DG19_Neg.mzML 0.0 0 533.3286254185217 34.369385 10569 DG19_Neg.mzML 24884.725 0 303.0074417038669 34.462868 10574 DG19_Neg.mzML 0.0 0 382.2552436979806 34.4814 10576 DG19_Neg.mzML 0.0 0 313.237696999795 34.49492 10578 DG19_Neg.mzML 0.0 0 345.26321047607723 34.49492 10588 DG19_Neg.mzML 0.0 0 431.2605702197673 34.524403 10599 DG19_Neg.mzML 0.0 0 421.2323119080877 34.524403 10601 DG19_Neg.mzML 0.0 0 580.3255966484995 34.534767 10613 DG19_Neg.mzML 50863.91 0 475.29165194173146 34.56705 10629 DG19_Neg.mzML 45605.324 0 349.20024489186494 34.61585 10639 DG19_Neg.mzML 0.0 0 537.0825860912664 34.65295 10668 DG19_Neg.mzML 0.0 0 529.2991243707612 34.772827 10670 DG19_Neg.mzML 0.0 0 580.3233831823335 34.774937 10684 DG19_Neg.mzML 0.0 0 565.2765278777312 34.792404 10698 DG19_Neg.mzML 84989.85 0 313.23860599258694 34.852333 10706 DG19_Neg.mzML 0.0 0 343.16678905441165 34.852028 10708 DG19_Neg.mzML 40120.41 0 307.1894422685011 34.85213 10709 DG19_Neg.mzML 0.0 0 375.1790631174384 34.852028 10738 DG19_Neg.mzML 47358.363 0 287.1856252863183 34.969658 10741 DG19_Neg.mzML 0.0 0 369.22383939306377 34.986065 10744 DG19_Neg.mzML 29133.783 0 311.22062573306755 34.996334 10750 DG19_Neg.mzML 0.0 0 271.15372192582544 35.027233 10755 DG19_Neg.mzML 91322.38 0 187.13312223694027 35.040432 10777 DG19_Neg.mzML 35217.934 0 243.1591232795749 35.086082 10778 DG19_Neg.mzML 0.0 0 309.2051821828307 35.096233 10779 DG19_Neg.mzML 0.0 0 345.1810302804016 35.096233 10793 DG19_Neg.mzML 96677.47 0 309.1747952095491 35.13145 10796 DG19_Neg.mzML 0.0 0 341.230857805534 35.13785 10797 DG19_Neg.mzML 0.0 0 377.1941505906301 35.13785 10807 DG19_Neg.mzML 0.0 0 707.1526973910493 35.157833 10814 DG19_Neg.mzML 0.0 0 695.3797212493325 35.1795 10815 DG19_Neg.mzML 0.0 0 271.1541503371502 35.198032 10817 DG19_Neg.mzML 0.0 0 673.3218487204495 35.198032 10818 DG19_Neg.mzML 0.0 0 674.325338175897 35.198032 10822 DG19_Neg.mzML 0.0 0 491.2412150746976 35.2232 10832 DG19_Neg.mzML 29821.16 0 356.2423146944898 35.267025 10833 DG19_Neg.mzML 73846.26 0 325.20190106476764 35.26782 10844 DG19_Neg.mzML 0.0 0 309.20474804847663 35.308765 10855 DG19_Neg.mzML 0.0 0 529.30018104667 35.319435 10879 DG19_Neg.mzML 0.0 0 861.4460804282738 35.40415 10889 DG19_Neg.mzML 175652.3 0 582.3412185780085 35.447567 10890 DG19_Neg.mzML 182249.22 0 311.1877878828016 35.425858 10916 DG19_Neg.mzML 47954.508 0 323.1863044726149 35.486683 10929 DG19_Neg.mzML 0.0 0 491.2410833992718 35.563282 10941 DG19_Neg.mzML 0.0 0 476.31984099598617 35.6044 10947 DG19_Neg.mzML 0.0 0 669.290187045785 35.607784 10952 DG19_Neg.mzML 0.0 0 387.2376522746552 35.64562 10959 DG19_Neg.mzML 1811348.5 0 293.17482069806726 35.65127 10960 DG19_Neg.mzML 61441.83 0 351.1353560938232 35.65938 10961 DG19_Neg.mzML 147341.64 0 361.1637657520787 35.65127 10969 DG19_Neg.mzML 96308.56 0 609.3406730722398 35.65938 10971 DG19_Neg.mzML 72677.28 0 236.1042529079093 35.6541 11010 DG19_Neg.mzML 0.0 0 837.4107377021462 35.768494 11011 DG19_Neg.mzML 0.0 0 873.3879407988175 35.768494 11022 DG19_Neg.mzML 0.0 0 377.199044525079 35.80375 11028 DG19_Neg.mzML 0.0 0 723.1691545413419 35.81008 11029 DG19_Neg.mzML 0.0 0 759.1457744216094 35.81008 11032 DG19_Neg.mzML 0.0 0 309.2051834045291 35.826385 11035 DG19_Neg.mzML 152032.78 0 311.2217716156988 35.8391 11045 DG19_Neg.mzML 33219.207 0 483.2361239519546 35.835335 11074 DG19_Neg.mzML 46788.48 0 580.3243394507981 35.96595 11085 DG19_Neg.mzML 0.0 0 669.2909488486522 35.972633 11118 DG19_Neg.mzML 0.0 0 311.2204862765988 36.026474 11119 DG19_Neg.mzML 0.0 0 379.2081514926976 36.042233 11120 DG19_Neg.mzML 0.0 0 543.279784218404 36.042233 11121 DG19_Neg.mzML 38578.824 0 305.1742286435362 36.032375 11131 DG19_Neg.mzML 0.0 0 645.4294963438564 36.042233 11162 DG19_Neg.mzML 0.0 0 309.2020471461774 36.117535 11169 DG19_Neg.mzML 23973.227 0 301.2005620347588 36.151085 11180 DG19_Neg.mzML 0.0 0 345.180788636494 36.157032 11189 DG19_Neg.mzML 166221.58 0 311.22154922639663 36.158836 11190 DG19_Neg.mzML 24254.44 0 379.2066687147936 36.151085 11199 DG19_Neg.mzML 0.0 0 386.288378405089 36.195168 11203 DG19_Neg.mzML 53674.645 0 349.2128721376471 36.204792 11206 DG19_Neg.mzML 0.0 0 309.18647618636163 36.206 11222 DG19_Neg.mzML 121855.09 0 309.1734359120089 36.254 11228 DG19_Neg.mzML 0.0 0 675.3566281327456 36.273182 11229 DG19_Neg.mzML 0.0 0 711.3341971937349 36.283817 11230 DG19_Neg.mzML 0.0 0 721.3625163882599 36.273182 11233 DG19_Neg.mzML 41969.656 0 257.17502097208416 36.30028 11235 DG19_Neg.mzML 21284.994 0 483.2369168105501 36.30028 11239 DG19_Neg.mzML 0.0 0 194.08088051776969 36.322334 11254 DG19_Neg.mzML 0.0 0 636.3138348309843 36.3534 11262 DG19_Neg.mzML 0.0 0 641.1656046685545 36.36175 11266 DG19_Neg.mzML 62251.12 0 239.1275648140292 36.346233 11296 DG19_Neg.mzML 37773.566 0 339.18152477784247 36.447384 11299 DG19_Neg.mzML 0.0 0 323.2211484322016 36.47265 11307 DG19_Neg.mzML 42137.484 0 360.2738107915054 36.482132 11329 DG19_Neg.mzML 0.0 0 562.3137662083946 36.565582 11333 DG19_Neg.mzML 0.0 0 641.1654049110597 36.565582 11337 DG19_Neg.mzML 0.0 0 722.366861311036 36.565582 11342 DG19_Neg.mzML 0.0 0 675.3585994290186 36.587933 11343 DG19_Neg.mzML 0.0 0 711.3350563109104 36.57676 11344 DG19_Neg.mzML 0.0 0 721.3636978621797 36.57676 11348 DG19_Neg.mzML 35007.727 0 221.0941135405828 36.5797 11380 DG19_Neg.mzML 0.0 0 194.0812250209308 36.641018 11395 DG19_Neg.mzML 21556.729 0 201.14841478775992 36.723915 11401 DG19_Neg.mzML 0.0 0 677.141343210815 36.726215 11403 DG19_Neg.mzML 0.0 0 323.22154362513413 36.743767 11406 DG19_Neg.mzML 0.0 0 424.3049634823476 36.743767 11422 DG19_Neg.mzML 93828.56 0 323.1864749002028 36.77045 11434 DG19_Neg.mzML 0.0 0 699.3935014424208 36.76935 11444 DG19_Neg.mzML 0.0 0 552.2856748800185 36.80835 11445 DG19_Neg.mzML 0.0 0 562.3138949759826 36.815258 11447 DG19_Neg.mzML 21183.346 0 132.9226047958089 36.82135 11461 DG19_Neg.mzML 30963.002 0 637.4006893375563 36.875484 11479 DG19_Neg.mzML 316535.16 0 293.17523873023174 36.92555 11480 DG19_Neg.mzML 26825.064 0 361.1648632646303 36.92555 11489 DG19_Neg.mzML 0.0 0 313.2375652060672 36.93789 11499 DG19_Neg.mzML 0.0 0 309.205658304138 36.95809 11500 DG19_Neg.mzML 0.0 0 345.1832592701016 36.95809 11509 DG19_Neg.mzML 0.0 0 641.1658314120363 36.973583 11517 DG19_Neg.mzML 0.0 0 311.22206573692466 36.983383 11535 DG19_Neg.mzML 0.0 0 815.4286579222695 37.0263 11551 DG19_Neg.mzML 0.0 0 538.3126826613999 37.096466 11560 DG19_Neg.mzML 0.0 0 440.3010175420556 37.110783 11576 DG19_Neg.mzML 0.0 0 313.2373188217744 37.1379 11578 DG19_Neg.mzML 0.0 0 381.2252539618347 37.15205 11582 DG19_Neg.mzML 0.0 0 638.3293905351051 37.15205 11607 DG19_Neg.mzML 0.0 0 477.2848499990381 37.21655 11621 DG19_Neg.mzML 0.0 0 295.19139046297613 37.231533 11627 DG19_Neg.mzML 37301.883 0 271.19068803084605 37.23894 11636 DG19_Neg.mzML 0.0 0 557.2975154901724 37.255615 11643 DG19_Neg.mzML 175451.88 0 313.237461609574 37.261333 11664 DG19_Neg.mzML 0.0 0 291.1955720436698 37.30794 11679 DG19_Neg.mzML 23266.564 0 347.1975476592953 37.3487 11686 DG19_Neg.mzML 0.0 0 677.3737203489316 37.36954 11687 DG19_Neg.mzML 0.0 0 713.3494975545016 37.378582 11695 DG19_Neg.mzML 0.0 0 564.328357754319 37.378582 11696 DG19_Neg.mzML 0.0 0 723.3789549914684 37.388756 11698 DG19_Neg.mzML 39928.78 0 194.0814401256829 37.399517 11706 DG19_Neg.mzML 0.0 0 647.3283956264919 37.398933 11720 DG19_Neg.mzML 43890.145 0 311.22069382817784 37.44775 11733 DG19_Neg.mzML 42851.582 0 270.2064687501034 37.44775 11752 DG19_Neg.mzML 0.0 0 699.3814904438625 37.478085 11754 DG19_Neg.mzML 0.0 0 308.2219973387761 37.478085 11791 DG19_Neg.mzML 0.0 0 449.23106539257344 37.561184 11794 DG19_Neg.mzML 0.0 0 385.25811567300457 37.5765 11800 DG19_Neg.mzML 0.0 0 291.1957040174102 37.588367 11803 DG19_Neg.mzML 137266.8 0 323.1855743792608 37.594517 11814 DG19_Neg.mzML 0.0 0 554.3014273702231 37.61762 11829 DG19_Neg.mzML 0.0 0 632.3177271368539 37.61762 11830 DG19_Neg.mzML 0.0 0 564.3298833315207 37.628277 11856 DG19_Neg.mzML 41163.93 0 347.1982125521498 37.677902 11878 DG19_Neg.mzML 0.0 0 559.3121264141395 37.697983 11879 DG19_Neg.mzML 0.0 0 273.1500696630121 37.717335 11899 DG19_Neg.mzML 31430.959 0 315.2522267936821 37.765335 11910 DG19_Neg.mzML 0.0 0 614.3307223368151 37.7575 11938 DG19_Neg.mzML 0.0 0 547.312832530171 37.839867 11943 DG19_Neg.mzML 0.0 0 845.4505901602635 37.860985 11958 DG19_Neg.mzML 0.0 0 433.2591804420626 37.860985 11985 DG19_Neg.mzML 0.0 0 549.2833612785826 37.928307 11986 DG19_Neg.mzML 0.0 0 559.3115124509413 37.928307 11988 DG19_Neg.mzML 0.0 0 591.3870639236575 37.90055 12011 DG19_Neg.mzML 105371.945 0 540.3318310505799 38.007168 12039 DG19_Neg.mzML 82624.16 0 699.3813100971544 38.017475 12043 DG19_Neg.mzML 0.0 0 653.3741365649333 38.020172 12044 DG19_Neg.mzML 0.0 0 689.3510119526898 38.020172 12065 DG19_Neg.mzML 71808.23 0 255.19656471702723 38.048782 12075 DG19_Neg.mzML 166742.45 0 285.2071022004708 38.048782 12076 DG19_Neg.mzML 164391.02 0 315.25322685248136 38.057922 12121 DG19_Neg.mzML 65137.66 0 293.19495058185345 38.129566 12123 DG19_Neg.mzML 0.0 0 293.2106111514739 38.13247 12133 DG19_Neg.mzML 0.0 0 609.4099114740752 38.144867 12144 DG19_Neg.mzML 45880.926 0 460.3272125181774 38.1733 12146 DG19_Neg.mzML 0.0 0 361.19852419596873 38.151592 12155 DG19_Neg.mzML 0.0 0 591.3888448573481 38.158318 12169 DG19_Neg.mzML 0.0 0 417.299698431966 38.18305 12193 DG19_Neg.mzML 50123.19 0 313.2369440719092 38.218266 12229 DG19_Neg.mzML 100317.05 0 530.3014612299772 38.291218 12230 DG19_Neg.mzML 833844.06 0 540.3297335507594 38.291218 12232 DG19_Neg.mzML 127078.77 0 608.3175476075553 38.299065 12310 DG19_Neg.mzML 0.0 0 679.3911091748953 38.422447 12312 DG19_Neg.mzML 0.0 0 725.3964169065707 38.422447 12352 DG19_Neg.mzML 0.0 0 293.2105897989631 38.507 12366 DG19_Neg.mzML 59334.156 0 271.2266928021555 38.516758 12371 DG19_Neg.mzML 0.0 0 405.2742490754071 38.5303 12437 DG19_Neg.mzML 0.0 0 311.2221957574548 38.6263 12451 DG19_Neg.mzML 0.0 0 329.1883705116985 38.64685 12452 DG19_Neg.mzML 0.0 0 293.21051076878825 38.64685 12469 DG19_Neg.mzML 0.0 0 577.2692343702805 38.66355 12479 DG19_Neg.mzML 37405.844 0 687.5747741941291 38.66655 12490 DG19_Neg.mzML 0.0 0 556.3192741726383 38.700565 12491 DG19_Neg.mzML 0.0 0 566.3462074536867 38.692215 12517 DG19_Neg.mzML 0.0 0 579.3380710887553 38.761234 12611 DG19_Neg.mzML 142706.33 0 295.226760510906 38.8217 12612 DG19_Neg.mzML 0.0 0 363.2150485277996 38.80985 12619 DG19_Neg.mzML 67019.87 0 221.15326069143487 38.8454 12639 DG19_Neg.mzML 47719.76 0 479.27915340594046 38.887985 12641 DG19_Neg.mzML 0.0 0 551.3008911906898 38.84989 12642 DG19_Neg.mzML 0.0 0 561.3276408489139 38.84989 12707 DG19_Neg.mzML 0.0 0 353.194620032906 38.959316 12738 DG19_Neg.mzML 28854.562 0 856.6494321518561 38.983868 12744 DG19_Neg.mzML 0.0 0 967.562497009284 39.010483 12780 DG19_Neg.mzML 0.0 0 579.3382284272018 39.04188 12810 DG19_Neg.mzML 57378.625 0 633.3382644347303 39.0771 12820 DG19_Neg.mzML 0.0 0 495.2531291803164 39.098415 12834 DG19_Neg.mzML 107564.89 0 243.1956513133338 39.100513 12843 DG19_Neg.mzML 0.0 0 297.2426690290107 39.13695 12845 DG19_Neg.mzML 0.0 0 879.4957458238846 39.121483 12863 DG19_Neg.mzML 0.0 0 293.21061247495345 39.160885 12873 DG19_Neg.mzML 197404.23 0 565.3498727837602 39.164165 12883 DG19_Neg.mzML 0.0 0 577.2691371388241 39.176716 12922 DG19_Neg.mzML 464023.84 0 497.3626674769655 39.21116 12926 DG19_Neg.mzML 0.0 0 401.2193125736822 39.217117 12952 DG19_Neg.mzML 0.0 0 707.4565493984873 39.241318 12997 DG19_Neg.mzML 0.0 0 565.3507573450827 39.298115 13012 DG19_Neg.mzML 0.0 0 293.2109766977711 39.31186 13015 DG19_Neg.mzML 82241.01 0 942.6991293121893 39.330635 13023 DG19_Neg.mzML 90704.6 0 311.22182511911444 39.330635 13034 DG19_Neg.mzML 0.0 0 507.29625923866337 39.33605 13088 DG19_Neg.mzML 120356.66 0 297.2425855999237 39.41601 13103 DG19_Neg.mzML 64685.508 0 687.5757606016472 39.455433 13111 DG19_Neg.mzML 0.0 0 479.2796395635757 39.453083 13116 DG19_Neg.mzML 0.0 0 407.2909446172041 39.453083 13152 DG19_Neg.mzML 0.0 0 527.2880417088691 39.51908 13157 DG19_Neg.mzML 0.0 0 456.2546584885868 39.532333 13158 DG19_Neg.mzML 0.0 0 466.2824115099664 39.532333 13160 DG19_Neg.mzML 0.0 0 595.276145494463 39.532333 13163 DG19_Neg.mzML 0.0 0 331.2035990189308 39.532333 13165 DG19_Neg.mzML 78201.98 0 428.3021160562859 39.543266 13224 DG19_Neg.mzML 0.0 0 362.2689146393427 39.609417 13234 DG19_Neg.mzML 0.0 0 577.2698914748072 39.62615 13260 DG19_Neg.mzML 1086498.6 0 297.2431529974872 39.627205 13261 DG19_Neg.mzML 137606.06 0 365.2310290481379 39.639366 13264 DG19_Neg.mzML 68291.56 0 433.2200719770767 39.628265 13330 DG19_Neg.mzML 0.0 0 617.3856825623724 39.7063 13343 DG19_Neg.mzML 0.0 0 293.20995681240186 39.73225 13361 DG19_Neg.mzML 63392.0 0 537.3275877187647 39.74565 13368 DG19_Neg.mzML 80026.17 0 687.5775288750147 39.7592 13374 DG19_Neg.mzML 84370.305 0 823.4700804957992 39.77106 13386 DG19_Neg.mzML 81582.24 0 323.22179611528946 39.80142 13396 DG19_Neg.mzML 0.0 0 243.1958110991209 39.810417 13401 DG19_Neg.mzML 0.0 0 426.2852359925779 39.85005 13419 DG19_Neg.mzML 40898.047 0 410.3262256053663 39.8878 13425 DG19_Neg.mzML 0.0 0 406.2619699419129 39.8893 13447 DG19_Neg.mzML 0.0 0 967.7430740680832 39.9026 13460 DG19_Neg.mzML 30287.016 0 269.2111277043415 39.936382 13461 DG19_Neg.mzML 0.0 0 727.4143101002873 39.93589 13466 DG19_Neg.mzML 82554.055 0 479.27978047315946 39.98515 13496 DG19_Neg.mzML 0.0 0 397.3328848936912 39.981316 13500 DG19_Neg.mzML 0.0 0 570.5102404413517 39.981316 13501 DG19_Neg.mzML 0.0 0 606.4865204590109 39.981316 3 DG16_Neg.mzML 0.0 0 102.9567509451892 0.057033334 4 DG16_Neg.mzML 20198.314 0 164.92672908658517 0.080516666 6 DG16_Neg.mzML 0.0 0 242.94315127836848 0.106866665 8 DG16_Neg.mzML 0.0 0 174.95515876338052 0.21258333 10 DG16_Neg.mzML 0.0 0 134.86502954570736 0.33723333 11 DG16_Neg.mzML 0.0 0 164.92684841873526 0.33723333 12 DG16_Neg.mzML 14552.476 0 255.8212103738272 0.44343334 14 DG16_Neg.mzML 18148.064 0 102.95679574933274 0.44343334 15 DG16_Neg.mzML 12712.038 0 242.9425514265742 0.48636666 17 DG16_Neg.mzML 46361.23 0 174.9549929852028 0.56815 18 DG16_Neg.mzML 21669.508 0 164.9265290260242 0.6346 21 DG16_Neg.mzML 0.0 0 102.95669714993691 0.71888334 24 DG16_Neg.mzML 0.0 0 164.92651486575662 0.8182 25 DG16_Neg.mzML 0.0 0 174.95476491254738 0.8283917 27 DG16_Neg.mzML 13920.6 0 255.82166062303108 0.85733336 28 DG16_Neg.mzML 0.0 0 242.94270710663625 1.0209334 42 DG16_Neg.mzML 121898.23 0 272.9576953884091 1.1536334 49 DG16_Neg.mzML 123501.164 0 158.97738539997613 1.1788722 50 DG16_Neg.mzML 0.0 0 226.9643775532686 1.1516334 57 DG16_Neg.mzML 233481.84 0 322.1133667379883 1.1793333 113 DG16_Neg.mzML 342834.6 0 232.08135647177505 1.2175833 154 DG16_Neg.mzML 0.0 0 280.9064083120511 1.2733 199 DG16_Neg.mzML 0.0 0 326.9009987364341 1.31955 218 DG16_Neg.mzML 307934.88 0 128.95902957283622 1.3341278 219 DG16_Neg.mzML 147957.05 0 296.8808599993093 1.3341278 220 DG16_Neg.mzML 0.0 0 380.8410906258793 1.34995 270 DG16_Neg.mzML 0.0 0 216.0865670682372 1.4326667 290 DG16_Neg.mzML 0.0 0 170.08116294188977 1.4692333 323 DG16_Neg.mzML 0.0 0 471.0733688479993 1.5006167 382 DG16_Neg.mzML 382839.0 0 322.1147187473182 1.4831333 392 DG16_Neg.mzML 0.0 0 239.0776433098742 1.5575583 393 DG16_Neg.mzML 1549040.9 0 387.11414429466186 1.53275 413 DG16_Neg.mzML 1638630.6 0 341.1091243835329 1.5450388 430 DG16_Neg.mzML 2152123.8 0 278.1253263602286 1.5554167 522 DG16_Neg.mzML 2349752.0 0 292.1412018952949 1.5554167 548 DG16_Neg.mzML 0.0 0 177.07634529718433 1.61335 640 DG16_Neg.mzML 3875673.8 0 290.08915719629806 1.6624 694 DG16_Neg.mzML 0.0 0 133.01540560538447 1.68355 746 DG16_Neg.mzML 757666.4 0 618.2285222985394 1.698 803 DG16_Neg.mzML 0.0 0 135.03041180383136 1.7565334 809 DG16_Neg.mzML 0.0 0 429.0703462095502 1.758 812 DG16_Neg.mzML 0.0 0 209.06798929580447 1.758 818 DG16_Neg.mzML 0.0 0 533.1749982581882 1.7927166 819 DG16_Neg.mzML 1132452.1 0 165.0411091334315 1.78575 826 DG16_Neg.mzML 0.0 0 179.05681439148083 1.82885 827 DG16_Neg.mzML 890090.75 0 191.0563511523059 1.799625 843 DG16_Neg.mzML 345708.1 0 699.224903071726 1.8198667 846 DG16_Neg.mzML 9114859.0 0 195.0515000310254 1.8228611 905 DG16_Neg.mzML 0.0 0 115.0056782876462 1.91005 917 DG16_Neg.mzML 542094.44 0 133.01504339631828 1.910175 941 DG16_Neg.mzML 239636.06 0 794.2600182543151 1.9185 945 DG16_Neg.mzML 332792.62 0 267.0738332757238 1.95575 946 DG16_Neg.mzML 714483.4 0 377.0888908773292 1.9224167 961 DG16_Neg.mzML 0.0 0 439.0908563836838 1.91005 997 DG16_Neg.mzML 664804.2 0 215.0336793267746 1.9923167 1033 DG16_Neg.mzML 0.0 0 366.1353342363912 2.0488167 1099 DG16_Neg.mzML 687691.25 0 200.0575271274897 2.0648334 1104 DG16_Neg.mzML 4224918.0 0 405.152910124191 2.0648334 1108 DG16_Neg.mzML 9344284.0 0 290.089947132568 2.0804777 1110 DG16_Neg.mzML 0.0 0 339.1312968292781 2.0845168 1134 DG16_Neg.mzML 0.0 0 133.01532825694477 2.0920832 1230 DG16_Neg.mzML 0.0 0 191.0207133583248 2.1241167 1245 DG16_Neg.mzML 2451105.8 0 177.07673164509933 2.1284165 1420 DG16_Neg.mzML 0.0 0 197.0459634483982 2.2506418 1431 DG16_Neg.mzML 204038.78 0 515.1447095761437 2.2454166 1432 DG16_Neg.mzML 0.0 0 448.1774094975533 2.22885 1452 DG16_Neg.mzML 0.0 0 103.00551150090584 2.30995 1483 DG16_Neg.mzML 543078.3 0 479.1224386314688 2.2833166 1512 DG16_Neg.mzML 0.0 0 295.02617183908734 2.30995 1527 DG16_Neg.mzML 0.0 0 232.08428929624463 2.30995 1528 DG16_Neg.mzML 222317.72 0 377.0892377454575 2.3206666 1622 DG16_Neg.mzML 0.0 0 450.1922169580604 2.3720334 1671 DG16_Neg.mzML 0.0 0 323.13674643639456 2.4075668 1702 DG16_Neg.mzML 350185.25 0 215.03364418048525 2.4326832 1718 DG16_Neg.mzML 0.0 0 315.0756838120277 2.5004 1740 DG16_Neg.mzML 442167.9 0 385.11611945143386 2.472 1746 DG16_Neg.mzML 1711382.2 0 353.08949614810695 2.4763083 1856 DG16_Neg.mzML 218594.56 0 290.0893989430238 2.5486667 1882 DG16_Neg.mzML 0.0 0 437.1255841190777 2.5551167 1928 DG16_Neg.mzML 0.0 0 553.2104565274899 2.5916667 1968 DG16_Neg.mzML 0.0 0 161.08279745788388 2.6642168 2029 DG16_Neg.mzML 0.0 0 219.0879893075484 2.7380166 2033 DG16_Neg.mzML 148436.16 0 195.81132024426088 2.7348666 2104 DG16_Neg.mzML 134013.89 0 421.1640021664064 2.7747166 2127 DG16_Neg.mzML 0.0 0 707.1844127193456 2.8111832 2138 DG16_Neg.mzML 124634.695 0 411.049196860193 2.8544667 2194 DG16_Neg.mzML 728566.8 0 191.05658268360483 2.9230332 2214 DG16_Neg.mzML 1159505.6 0 705.1700263675883 2.9275334 2215 DG16_Neg.mzML 2246697.5 0 707.1845653785455 2.9275334 2228 DG16_Neg.mzML 918565.94 0 351.07374688844425 2.9592085 2229 DG16_Neg.mzML 6682325.5 0 353.0881766513112 2.9592085 2252 DG16_Neg.mzML 104728.01 0 727.1525032617407 2.9653666 2253 DG16_Neg.mzML 388049.78 0 729.1677209713826 2.9653666 2319 DG16_Neg.mzML 99486.18 0 215.03391212751532 3.1212666 2334 DG16_Neg.mzML 164952.0 0 411.048417203038 3.1212666 2354 DG16_Neg.mzML 0.0 0 490.1859424301567 3.1728 2363 DG16_Neg.mzML 295337.5 0 351.0745081087651 3.1977832 2364 DG16_Neg.mzML 2172778.5 0 353.0881410821196 3.1977832 2376 DG16_Neg.mzML 265176.2 0 707.1836779029029 3.1977832 2397 DG16_Neg.mzML 253251.19 0 195.8105053375688 3.2732 2423 DG16_Neg.mzML 81929.39 0 290.09069998323275 3.3917 2435 DG16_Neg.mzML 83673.32 0 191.05570962399017 3.433 2449 DG16_Neg.mzML 0.0 0 353.08952990521385 3.46555 2473 DG16_Neg.mzML 123006.94 0 351.07576107605297 3.5471666 2482 DG16_Neg.mzML 62217.64 0 154.08687807123627 3.5471666 2498 DG16_Neg.mzML 324479.5 0 137.022273343035 3.611425 2540 DG16_Neg.mzML 0.0 0 429.15523031518575 3.6505666 2632 DG16_Neg.mzML 0.0 0 219.08689738002747 3.76145 2646 DG16_Neg.mzML 0.0 0 502.2292442429328 3.76145 2702 DG16_Neg.mzML 0.0 0 179.0288888800202 3.8618166 2729 DG16_Neg.mzML 95895.11 0 365.1799062535359 3.8735332 2745 DG16_Neg.mzML 549641.3 0 137.02203055603036 3.9062834 2764 DG16_Neg.mzML 0.0 0 246.09162656655047 3.9374666 2779 DG16_Neg.mzML 0.0 0 397.11718053321226 3.9469166 2798 DG16_Neg.mzML 127615.7 0 177.01652122846343 3.9828 2805 DG16_Neg.mzML 477237.0 0 337.0915596725163 3.9905 2860 DG16_Neg.mzML 0.0 0 158.07934808370027 4.0929 2880 DG16_Neg.mzML 0.0 0 311.07713876414766 4.1329665 2903 DG16_Neg.mzML 0.0 0 429.15348280184537 4.17075 2908 DG16_Neg.mzML 0.0 0 492.1995309104438 4.17075 2920 DG16_Neg.mzML 752659.75 0 397.1158083185669 4.1846666 2923 DG16_Neg.mzML 148540.11 0 365.1797048864688 4.14455 2932 DG16_Neg.mzML 112354.49 0 131.0708652887759 4.3012834 2936 DG16_Neg.mzML 0.0 0 246.0949273962716 4.2174335 2940 DG16_Neg.mzML 0.0 0 303.89299267903 4.25935 2959 DG16_Neg.mzML 547135.7 0 179.03337169222468 4.2579226 2993 DG16_Neg.mzML 0.0 0 230.0999366790276 4.302233 2995 DG16_Neg.mzML 0.0 0 367.10333766523775 4.3296337 3045 DG16_Neg.mzML 84520.36 0 335.0754956022755 4.4629083 3055 DG16_Neg.mzML 107610.07 0 136.07628906597364 4.4579334 3057 DG16_Neg.mzML 0.0 0 161.08075152835886 4.4802833 3061 DG16_Neg.mzML 152056.55 0 212.09141105989443 4.4966664 3095 DG16_Neg.mzML 0.0 0 175.09490575046877 4.5530167 3113 DG16_Neg.mzML 983234.2 0 337.09221298967753 4.564892 3136 DG16_Neg.mzML 55174.434 0 379.1044943182807 4.617 3137 DG16_Neg.mzML 0.0 0 377.08835386133137 4.6143503 3160 DG16_Neg.mzML 70773.086 0 172.09620556839906 4.6292 3161 DG16_Neg.mzML 0.0 0 311.0754918813472 4.657217 3174 DG16_Neg.mzML 0.0 0 230.1009837607366 4.68295 3179 DG16_Neg.mzML 688745.1 0 411.1324849164049 4.7043333 3180 DG16_Neg.mzML 0.0 0 381.1220184290784 4.7056665 3225 DG16_Neg.mzML 54952.547 0 188.0352434366336 4.8200836 3226 DG16_Neg.mzML 0.0 0 161.08100607695954 4.82335 3248 DG16_Neg.mzML 0.0 0 203.09146684846104 4.864033 3253 DG16_Neg.mzML 0.0 0 521.201153719686 4.864033 3278 DG16_Neg.mzML 46281.41 0 381.12075139141865 4.9467835 3296 DG16_Neg.mzML 0.0 0 239.08910073161772 4.9936 3298 DG16_Neg.mzML 0.0 0 367.1038213849688 5.021283 3310 DG16_Neg.mzML 0.0 0 121.0290594593065 5.0401 3322 DG16_Neg.mzML 45606.02 0 503.2228494546129 5.075967 3323 DG16_Neg.mzML 37526.55 0 513.2516482599715 5.075967 3330 DG16_Neg.mzML 0.0 0 203.09151509254391 5.0998335 3370 DG16_Neg.mzML 0.0 0 153.01832959659984 5.1738167 3376 DG16_Neg.mzML 0.0 0 188.03599409787765 5.2204165 3387 DG16_Neg.mzML 0.0 0 366.1171577499664 5.2686334 3391 DG16_Neg.mzML 0.0 0 381.12188720443214 5.29315 3394 DG16_Neg.mzML 855743.94 0 411.1323459693694 5.311533 3400 DG16_Neg.mzML 0.0 0 363.1468509774164 5.3335166 3421 DG16_Neg.mzML 0.0 0 567.2094730186775 5.4156666 3427 DG16_Neg.mzML 0.0 0 165.01816762125 5.4162664 3428 DG16_Neg.mzML 0.0 0 121.0288924945138 5.4162664 3429 DG16_Neg.mzML 1242482.5 0 367.10245170108726 5.4561334 3440 DG16_Neg.mzML 88144.58 0 363.14614170784034 5.4955335 3454 DG16_Neg.mzML 0.0 0 565.1933132217255 5.5406666 3470 DG16_Neg.mzML 278937.28 0 337.092056411906 5.62285 3490 DG16_Neg.mzML 0.0 0 173.0803807016406 5.68735 3522 DG16_Neg.mzML 0.0 0 203.0911553246677 5.7846 3527 DG16_Neg.mzML 36598.598 0 345.1527135980564 5.8084 3531 DG16_Neg.mzML 82238.94 0 595.1691776172034 5.8084 3578 DG16_Neg.mzML 54845.69 0 143.07039899142404 6.05855 3583 DG16_Neg.mzML 0.0 0 363.146750471933 6.0813 3594 DG16_Neg.mzML 72457.81 0 167.03444219314326 6.105255 3601 DG16_Neg.mzML 0.0 0 173.08021333963987 6.134733 3606 DG16_Neg.mzML 112315.016 0 363.1457068979871 6.1831 3618 DG16_Neg.mzML 0.0 0 617.1966483721759 6.2222333 3624 DG16_Neg.mzML 206055.17 0 595.1667849523443 6.27265 3625 DG16_Neg.mzML 48033.934 0 371.0767963176903 6.2744393 3638 DG16_Neg.mzML 52748.594 0 309.0963224952004 6.3176584 3648 DG16_Neg.mzML 0.0 0 167.03391482893443 6.3606334 3657 DG16_Neg.mzML 64779.344 0 557.1756039048771 6.405383 3670 DG16_Neg.mzML 38773.195 0 521.2013280097731 6.443683 3688 DG16_Neg.mzML 0.0 0 557.1770689480131 6.5221667 3689 DG16_Neg.mzML 746714.8 0 609.143839505109 6.5350833 3703 DG16_Neg.mzML 0.0 0 567.2083328209328 6.5997834 3711 DG16_Neg.mzML 0.0 0 211.024177194864 6.62765 3718 DG16_Neg.mzML 120891.01 0 167.03372921624745 6.6724834 3722 DG16_Neg.mzML 0.0 0 537.2082917297138 6.676717 3725 DG16_Neg.mzML 0.0 0 547.2392872574025 6.717167 3735 DG16_Neg.mzML 0.0 0 439.1279727107519 6.7552333 3746 DG16_Neg.mzML 0.0 0 565.1930882743895 6.8353 3754 DG16_Neg.mzML 80316.64 0 569.2346589742798 6.8647666 3760 DG16_Neg.mzML 0.0 0 555.1642537307556 6.8749833 3762 DG16_Neg.mzML 0.0 0 413.1454188949238 6.9171834 3778 DG16_Neg.mzML 61712.062 0 587.1886308171237 6.95075 3789 DG16_Neg.mzML 65219.133 0 537.1027011962802 6.993933 3799 DG16_Neg.mzML 100630.2 0 163.0388146677241 7.0368667 3801 DG16_Neg.mzML 0.0 0 363.1470948018672 7.0393167 3822 DG16_Neg.mzML 0.0 0 587.1860289567087 7.16715 3831 DG16_Neg.mzML 49972.695 0 551.2121809412316 7.1694665 3834 DG16_Neg.mzML 0.0 0 174.0544836221497 7.210533 3843 DG16_Neg.mzML 63025.742 0 537.1028534148953 7.2101665 3844 DG16_Neg.mzML 65540.45 0 569.2350462035936 7.2101665 3863 DG16_Neg.mzML 0.0 0 163.03874176621957 7.3330336 3883 DG16_Neg.mzML 1398300.5 0 609.1447046395756 7.3795166 3909 DG16_Neg.mzML 0.0 0 785.2504094857962 7.495 3925 DG16_Neg.mzML 187480.38 0 625.139928255315 7.53845 3931 DG16_Neg.mzML 68615.56 0 477.1246778194632 7.58075 3938 DG16_Neg.mzML 62801.668 0 569.2361055861566 7.623 3940 DG16_Neg.mzML 0.0 0 369.1440711196251 7.63725 3941 DG16_Neg.mzML 0.0 0 525.1020141760074 7.63725 3945 DG16_Neg.mzML 0.0 0 395.1378587505287 7.6640835 3963 DG16_Neg.mzML 77398.11 0 533.2591128410654 7.7089667 3967 DG16_Neg.mzML 0.0 0 581.2201611354795 7.757467 3968 DG16_Neg.mzML 0.0 0 413.1453039109616 7.7467165 3977 DG16_Neg.mzML 0.0 0 174.05466764689578 7.757467 3978 DG16_Neg.mzML 134808.4 0 163.0389977132467 7.7778945 3991 DG16_Neg.mzML 0.0 0 617.1973915935637 7.7977834 3997 DG16_Neg.mzML 80168.51 0 721.1971939829808 7.828417 4020 DG16_Neg.mzML 0.0 0 617.2005640805664 7.9096165 4022 DG16_Neg.mzML 93606.766 0 651.1093665303861 7.915983 4023 DG16_Neg.mzML 67087.2 0 661.1367444421619 7.915983 4042 DG16_Neg.mzML 0.0 0 324.05346210623384 7.9610167 4043 DG16_Neg.mzML 0.0 0 721.194203731545 7.9610167 4058 DG16_Neg.mzML 83642.83 0 363.1469410727651 8.03235 4067 DG16_Neg.mzML 0.0 0 405.1653735481514 8.093634 4076 DG16_Neg.mzML 0.0 0 539.2227214470597 8.15445 4078 DG16_Neg.mzML 0.0 0 549.2541155967807 8.15445 4089 DG16_Neg.mzML 0.0 0 551.2081425430645 8.191116 4096 DG16_Neg.mzML 0.0 0 755.2393413639733 8.196716 4099 DG16_Neg.mzML 103480.336 0 651.1065794881372 8.206833 4108 DG16_Neg.mzML 7913136.5 0 593.1486997711334 8.250633 4110 DG16_Neg.mzML 79537.89 0 661.1346569559385 8.250633 4117 DG16_Neg.mzML 0.0 0 756.2425434313994 8.281183 4136 DG16_Neg.mzML 26383.104 0 607.1293083012567 8.387983 4153 DG16_Neg.mzML 39903.312 0 653.1080510404753 8.479716 4156 DG16_Neg.mzML 60857.297 0 395.136946540212 8.503767 4161 DG16_Neg.mzML 0.0 0 339.0503850821456 8.523467 4173 DG16_Neg.mzML 95269.945 0 651.1062573273746 8.567033 4201 DG16_Neg.mzML 26328.768 0 607.1267725623109 8.713249 4211 DG16_Neg.mzML 0.0 0 595.1389286859406 8.75905 4214 DG16_Neg.mzML 0.0 0 537.1030973797673 8.770333 4221 DG16_Neg.mzML 74955.49 0 661.1340906840901 8.80155 4237 DG16_Neg.mzML 0.0 0 339.0507976611167 8.847883 4239 DG16_Neg.mzML 0.0 0 539.2244843755054 8.847883 4244 DG16_Neg.mzML 0.0 0 549.2543745939425 8.889566 4260 DG16_Neg.mzML 0.0 0 587.1893011881049 8.979767 4269 DG16_Neg.mzML 38854.668 0 487.0670208260712 8.983033 4280 DG16_Neg.mzML 33131.895 0 551.2134530534543 9.067083 4291 DG16_Neg.mzML 0.0 0 587.1869428793788 9.139334 4293 DG16_Neg.mzML 0.0 0 667.1046860194383 9.145567 4296 DG16_Neg.mzML 40797.88 0 591.1354378313945 9.15155 4299 DG16_Neg.mzML 0.0 0 589.184763607837 9.177366 4300 DG16_Neg.mzML 0.0 0 551.2103103609362 9.177366 4313 DG16_Neg.mzML 0.0 0 350.12298947444884 9.216634 4319 DG16_Neg.mzML 10705708.0 0 593.1488063224418 9.24555 4337 DG16_Neg.mzML 0.0 0 609.1447118423112 9.343275 4339 DG16_Neg.mzML 0.0 0 395.13726010021264 9.3792 4366 DG16_Neg.mzML 67645.586 0 661.1364476380811 9.519 4384 DG16_Neg.mzML 0.0 0 489.0808756021892 9.585167 4396 DG16_Neg.mzML 67137.4 0 487.0654901161592 9.614742 4406 DG16_Neg.mzML 0.0 0 339.0499860785471 9.627708 4410 DG16_Neg.mzML 73379.35 0 491.0964693709005 9.656708 4411 DG16_Neg.mzML 164857.97 0 537.1022230366549 9.660389 4412 DG16_Neg.mzML 0.0 0 635.0697461946498 9.6679 4439 DG16_Neg.mzML 72627.68 0 661.1330699047221 9.72115 4444 DG16_Neg.mzML 0.0 0 521.1997593504691 9.745383 4445 DG16_Neg.mzML 0.0 0 557.1772960587012 9.745383 4449 DG16_Neg.mzML 0.0 0 623.1963458393867 9.746384 4477 DG16_Neg.mzML 116189.71 0 521.2002264943351 9.856617 4484 DG16_Neg.mzML 0.0 0 677.1280531093555 9.8677 4491 DG16_Neg.mzML 91326.516 0 651.1061644859938 9.886617 4499 DG16_Neg.mzML 142209.56 0 557.1764330236751 9.927667 4526 DG16_Neg.mzML 0.0 0 609.1433608323669 10.071466 4531 DG16_Neg.mzML 0.0 0 181.0121562160156 10.132283 4532 DG16_Neg.mzML 0.0 0 350.1226532127204 10.132283 4536 DG16_Neg.mzML 0.0 0 607.1272124185367 10.150567 4551 DG16_Neg.mzML 0.0 0 609.1435675253407 10.214566 4557 DG16_Neg.mzML 0.0 0 677.1268739556579 10.232683 4566 DG16_Neg.mzML 0.0 0 667.102711393009 10.2703 4574 DG16_Neg.mzML 50135.87 0 407.1819820209384 10.345966 4604 DG16_Neg.mzML 47636.805 0 417.2100513738445 10.476367 4626 DG16_Neg.mzML 0.0 0 255.8208133748849 10.58875 4641 DG16_Neg.mzML 228625.72 0 483.0681872328611 10.684317 4643 DG16_Neg.mzML 42537.375 0 510.0871050364746 10.684317 4644 DG16_Neg.mzML 85313.43 0 515.0783569736238 10.684317 4647 DG16_Neg.mzML 0.0 0 369.14514882428944 10.689016 4652 DG16_Neg.mzML 0.0 0 261.1330136959865 10.719358 4658 DG16_Neg.mzML 197013.31 0 896.1926255540367 10.72685 4660 DG16_Neg.mzML 0.0 0 255.821265111655 10.736716 4674 DG16_Neg.mzML 415647.25 0 895.189569159968 10.80625 4680 DG16_Neg.mzML 0.0 0 407.1786110799649 10.837733 4687 DG16_Neg.mzML 83229.58 0 505.0511748713864 10.843984 4690 DG16_Neg.mzML 0.0 0 369.1444306539172 10.826467 4701 DG16_Neg.mzML 0.0 0 555.1629691354218 10.9188 4703 DG16_Neg.mzML 72285.78 0 417.2105707777857 10.961866 4705 DG16_Neg.mzML 42727.402 0 510.0869537421452 10.922267 4710 DG16_Neg.mzML 0.0 0 255.82051580990543 10.923567 4716 DG16_Neg.mzML 0.0 0 195.80925469926308 10.970233 4717 DG16_Neg.mzML 0.0 0 197.8063645284512 10.970233 4725 DG16_Neg.mzML 0.0 0 391.10293505937193 11.009983 4728 DG16_Neg.mzML 0.0 0 144.0443516420476 11.016434 4729 DG16_Neg.mzML 0.0 0 305.1051854485231 11.016434 4735 DG16_Neg.mzML 72172.1 0 407.1817511641921 11.048625 4742 DG16_Neg.mzML 70006.72 0 417.2087742790121 11.04595 4748 DG16_Neg.mzML 0.0 0 391.10282305768254 11.135616 4757 DG16_Neg.mzML 0.0 0 144.0446043636481 11.135616 4770 DG16_Neg.mzML 0.0 0 347.1509479608018 11.220966 4773 DG16_Neg.mzML 0.0 0 615.1551102435195 11.220966 4777 DG16_Neg.mzML 62258.297 0 809.2452487281954 11.250167 4785 DG16_Neg.mzML 57360.29 0 224.09127154423123 11.291083 4819 DG16_Neg.mzML 0.0 0 305.10532757108945 11.4819 4824 DG16_Neg.mzML 0.0 0 809.2474120765353 11.513984 4826 DG16_Neg.mzML 109365.484 0 505.0497361204429 11.524917 4827 DG16_Neg.mzML 67816.914 0 510.0862125899871 11.524917 4834 DG16_Neg.mzML 0.0 0 579.1774267008709 11.556983 4843 DG16_Neg.mzML 0.0 0 463.0874650559268 11.585899 4848 DG16_Neg.mzML 4440406.0 0 447.0903434624061 11.6044 4850 DG16_Neg.mzML 354151.94 0 483.0674153641432 11.6044 4853 DG16_Neg.mzML 115020.63 0 515.0772292362906 11.6044 4855 DG16_Neg.mzML 1342659.9 0 895.1878205531706 11.6044 4856 DG16_Neg.mzML 647845.3 0 896.191338207239 11.6044 4869 DG16_Neg.mzML 112123.73 0 505.0495584944893 11.678683 4890 DG16_Neg.mzML 0.0 0 144.04448137581463 11.749458 4915 DG16_Neg.mzML 0.0 0 195.02907952455243 11.85875 4926 DG16_Neg.mzML 0.0 0 305.1051884911869 11.939317 4948 DG16_Neg.mzML 0.0 0 369.1447787083269 12.0237665 4950 DG16_Neg.mzML 0.0 0 463.0876120928695 12.0237665 4951 DG16_Neg.mzML 0.0 0 555.1632139502796 12.0237665 4952 DG16_Neg.mzML 0.0 0 160.03902595469427 12.0237665 4965 DG16_Neg.mzML 0.0 0 369.14442964149794 12.1565 4971 DG16_Neg.mzML 39343.836 0 391.1018221056387 12.196 4980 DG16_Neg.mzML 0.0 0 463.08734329835374 12.2396755 4986 DG16_Neg.mzML 0.0 0 785.2477345091798 12.2406 4994 DG16_Neg.mzML 0.0 0 347.1510137455229 12.321533 4995 DG16_Neg.mzML 0.0 0 305.1049882278373 12.329 5006 DG16_Neg.mzML 0.0 0 455.1027725235817 12.4264 5014 DG16_Neg.mzML 0.0 0 353.150229882478 12.469717 5017 DG16_Neg.mzML 70948.99 0 313.1165352916661 12.4963 5019 DG16_Neg.mzML 0.0 0 389.1272756181787 12.510834 5027 DG16_Neg.mzML 0.0 0 391.10269405709386 12.527583 5031 DG16_Neg.mzML 0.0 0 799.1876730161651 12.553017 5039 DG16_Neg.mzML 0.0 0 579.1705875346875 12.6097 5040 DG16_Neg.mzML 0.0 0 615.1473741078573 12.6097 5051 DG16_Neg.mzML 50983.227 0 521.1279085122769 12.6878 5055 DG16_Neg.mzML 26667.906 0 231.1223387367389 12.7383 5056 DG16_Neg.mzML 0.0 0 493.14742162308863 12.778383 5068 DG16_Neg.mzML 16632.74 0 745.3005053884788 12.79245 5075 DG16_Neg.mzML 0.0 0 755.2382150088442 12.8188 5079 DG16_Neg.mzML 57827.773 0 521.1300372005411 12.870583 5099 DG16_Neg.mzML 0.0 0 799.2637945701301 13.02965 5117 DG16_Neg.mzML 0.0 0 151.03897069356475 13.24105 5119 DG16_Neg.mzML 0.0 0 615.2757534221198 13.197917 5137 DG16_Neg.mzML 46737.133 0 733.1948111380625 13.28635 5138 DG16_Neg.mzML 134289.0 0 763.2042314191028 13.28635 5141 DG16_Neg.mzML 0.0 0 187.09644877496004 13.322383 5145 DG16_Neg.mzML 147701.1 0 313.1171166975939 13.33395 5149 DG16_Neg.mzML 0.0 0 555.163806821713 13.367084 5154 DG16_Neg.mzML 0.0 0 383.16118287405294 13.406266 5158 DG16_Neg.mzML 0.0 0 405.1592597617168 13.40705 5163 DG16_Neg.mzML 0.0 0 733.1980349792087 13.445316 5168 DG16_Neg.mzML 0.0 0 287.1488034912687 13.4464 5182 DG16_Neg.mzML 195413.19 0 187.09572475446444 13.499984 5186 DG16_Neg.mzML 0.0 0 623.1964297004776 13.5320835 5191 DG16_Neg.mzML 259130.6 0 763.2028453950617 13.539884 5199 DG16_Neg.mzML 0.0 0 527.1345112900133 13.568817 5217 DG16_Neg.mzML 0.0 0 764.2116812695274 13.650217 5218 DG16_Neg.mzML 0.0 0 831.1945946440238 13.650217 5220 DG16_Neg.mzML 0.0 0 769.2539253874838 13.622967 5226 DG16_Neg.mzML 0.0 0 763.2086813711807 13.650217 5238 DG16_Neg.mzML 0.0 0 799.184977632253 13.6932 5260 DG16_Neg.mzML 338743.34 0 187.0963094886678 13.861495 5266 DG16_Neg.mzML 0.0 0 799.2637795304372 13.86995 5286 DG16_Neg.mzML 43208.074 0 691.1853513733922 14.014883 5288 DG16_Neg.mzML 102149.46 0 521.1299632906804 14.0296 5289 DG16_Neg.mzML 0.0 0 193.04903729380885 14.037633 5313 DG16_Neg.mzML 0.0 0 521.1295670239804 14.1717 5316 DG16_Neg.mzML 0.0 0 585.2664259433675 14.1717 5327 DG16_Neg.mzML 0.0 0 595.2948096989343 14.2135 5328 DG16_Neg.mzML 0.0 0 361.1006400373482 14.2128 5335 DG16_Neg.mzML 0.0 0 405.15821285542665 14.255983 5340 DG16_Neg.mzML 0.0 0 835.2395787579052 14.255983 5346 DG16_Neg.mzML 0.0 0 347.0327768638324 14.309116 5349 DG16_Neg.mzML 0.0 0 799.2643362180626 14.2975 5350 DG16_Neg.mzML 0.0 0 800.2673452929367 14.2975 5360 DG16_Neg.mzML 46787.605 0 635.1102079534463 14.3394 5363 DG16_Neg.mzML 0.0 0 311.05526830333224 14.342617 5364 DG16_Neg.mzML 0.0 0 309.0405271809209 14.358583 5382 DG16_Neg.mzML 0.0 0 405.1571030649828 14.544967 5392 DG16_Neg.mzML 0.0 0 661.1386324723072 14.605575 5397 DG16_Neg.mzML 0.0 0 593.1506577556037 14.629 5418 DG16_Neg.mzML 147949.27 0 193.04914738633232 14.7418 5420 DG16_Neg.mzML 0.0 0 137.02362861328737 14.757616 5447 DG16_Neg.mzML 0.0 0 193.0494736438729 14.87265 5450 DG16_Neg.mzML 0.0 0 769.2530003277922 14.87265 5457 DG16_Neg.mzML 1504402.2 0 577.1521987618576 14.893817 5458 DG16_Neg.mzML 732162.8 0 613.1290567626033 14.893817 5460 DG16_Neg.mzML 76888.14 0 635.1104493131245 14.893817 5462 DG16_Neg.mzML 133481.36 0 645.1385461782595 14.893817 5469 DG16_Neg.mzML 0.0 0 691.1852659461111 14.94025 5470 DG16_Neg.mzML 0.0 0 727.1627943736761 14.9007 5471 DG16_Neg.mzML 0.0 0 651.11030382844 14.94025 5473 DG16_Neg.mzML 0.0 0 733.1962366192244 14.94025 5494 DG16_Neg.mzML 0.0 0 661.1354254880587 14.995584 5495 DG16_Neg.mzML 0.0 0 593.149145990914 15.007709 5502 DG16_Neg.mzML 0.0 0 453.2242156444131 15.075117 5513 DG16_Neg.mzML 0.0 0 463.2529935048033 15.075117 5514 DG16_Neg.mzML 0.0 0 651.1131697253658 15.075117 5535 DG16_Neg.mzML 0.0 0 309.0397280069511 15.227616 5539 DG16_Neg.mzML 0.0 0 311.0552594055188 15.23605 5541 DG16_Neg.mzML 75434.914 0 629.2391211108138 15.251133 5543 DG16_Neg.mzML 0.0 0 347.03223517589254 15.264983 5550 DG16_Neg.mzML 98448.17 0 243.1215964280396 15.293067 5577 DG16_Neg.mzML 0.0 0 243.12268633007812 15.402567 5586 DG16_Neg.mzML 285016.75 0 193.0491771467249 15.422379 5598 DG16_Neg.mzML 245962.23 0 137.02368447353822 15.521611 5618 DG16_Neg.mzML 0.0 0 639.1553137386283 15.707784 5622 DG16_Neg.mzML 0.0 0 675.1391884426622 15.752633 5633 DG16_Neg.mzML 0.0 0 343.2114877815922 15.840584 5649 DG16_Neg.mzML 0.0 0 673.1837237631448 15.885567 5671 DG16_Neg.mzML 110315.984 0 243.1218739718687 15.958324 5680 DG16_Neg.mzML 51740.85 0 583.2466173437159 16.00215 5715 DG16_Neg.mzML 0.0 0 337.03441907006953 16.120983 5742 DG16_Neg.mzML 0.0 0 358.068290172722 16.201567 5747 DG16_Neg.mzML 0.0 0 417.081911331325 16.201567 5759 DG16_Neg.mzML 0.0 0 713.1134547505791 16.241 5781 DG16_Neg.mzML 0.0 0 343.2106383633688 16.285383 5783 DG16_Neg.mzML 0.0 0 358.0690819636292 16.280634 5804 DG16_Neg.mzML 282371.38 0 613.1277733347985 16.2884 5819 DG16_Neg.mzML 635906.6 0 577.1520004864068 16.3298 5833 DG16_Neg.mzML 0.0 0 717.1421241974024 16.370083 5857 DG16_Neg.mzML 6416617.0 0 607.160884726321 16.4118 5874 DG16_Neg.mzML 116155.99 0 675.1480982882313 16.451883 5904 DG16_Neg.mzML 0.0 0 447.09171642989975 16.504108 5959 DG16_Neg.mzML 68254.46 0 509.2930062745298 16.645634 5994 DG16_Neg.mzML 0.0 0 895.1698052800642 16.766317 6016 DG16_Neg.mzML 440427.62 0 431.0968793307951 16.8092 6022 DG16_Neg.mzML 0.0 0 537.1020538325597 16.815716 6058 DG16_Neg.mzML 0.0 0 431.0968546427189 16.938917 6059 DG16_Neg.mzML 0.0 0 467.0730366454667 16.938917 6067 DG16_Neg.mzML 0.0 0 895.1688938426263 16.965567 6086 DG16_Neg.mzML 0.0 0 728.1307171957458 16.965567 6095 DG16_Neg.mzML 61761.09 0 353.147962979842 17.029118 6106 DG16_Neg.mzML 0.0 0 715.1248556563322 17.050917 6141 DG16_Neg.mzML 0.0 0 671.1369244378888 17.12455 6144 DG16_Neg.mzML 0.0 0 718.1458697800665 17.12455 6165 DG16_Neg.mzML 0.0 0 717.141456846018 17.12455 6214 DG16_Neg.mzML 101543.164 0 671.1363750700683 17.273235 6245 DG16_Neg.mzML 37474.887 0 709.0794717532617 17.314201 6270 DG16_Neg.mzML 201759.06 0 343.2103958220898 17.362316 6273 DG16_Neg.mzML 160490.83 0 643.138644355023 17.362316 6286 DG16_Neg.mzML 0.0 0 303.089652614102 17.3981 6313 DG16_Neg.mzML 0.0 0 467.0722022732275 17.471317 6328 DG16_Neg.mzML 0.0 0 431.0960135032694 17.50865 6374 DG16_Neg.mzML 0.0 0 447.0909546684304 17.61965 6385 DG16_Neg.mzML 0.0 0 395.0503337600125 17.648767 6391 DG16_Neg.mzML 215583.64 0 343.2102326964592 17.682016 6392 DG16_Neg.mzML 114833.41 0 597.2635660231704 17.682016 6407 DG16_Neg.mzML 314748.06 0 607.1614870461902 17.72015 6409 DG16_Neg.mzML 225955.48 0 643.1385027529027 17.72015 6445 DG16_Neg.mzML 0.0 0 313.0677173754784 17.801916 6460 DG16_Neg.mzML 0.0 0 395.0524523084193 17.85705 6469 DG16_Neg.mzML 171080.61 0 343.2097678232323 17.877533 6475 DG16_Neg.mzML 0.0 0 179.0334492926242 17.878584 6476 DG16_Neg.mzML 148820.7 0 313.07001655211064 17.898592 6487 DG16_Neg.mzML 0.0 0 161.02310652698156 17.926842 6490 DG16_Neg.mzML 0.0 0 197.0436183972724 17.946384 6497 DG16_Neg.mzML 2067522.0 0 359.0742561721334 17.952017 6512 DG16_Neg.mzML 0.0 0 381.0579312708574 18.012266 6524 DG16_Neg.mzML 0.0 0 719.1579596417895 18.012266 6525 DG16_Neg.mzML 0.0 0 179.0338337830393 18.012266 6530 DG16_Neg.mzML 330464.72 0 395.05094714449496 18.013033 6538 DG16_Neg.mzML 0.0 0 383.1600984802265 18.051584 6539 DG16_Neg.mzML 84617.82 0 161.0228899267294 18.039534 6560 DG16_Neg.mzML 0.0 0 313.070631330098 18.051584 6612 DG16_Neg.mzML 67664.67 0 497.0812282515436 18.236732 6644 DG16_Neg.mzML 143141.16 0 313.0697216811665 18.362467 6668 DG16_Neg.mzML 74808.34 0 357.0589914128022 18.44195 6669 DG16_Neg.mzML 60768.86 0 417.0317748316179 18.44195 6691 DG16_Neg.mzML 0.0 0 395.05405255780215 18.494099 6693 DG16_Neg.mzML 0.0 0 741.1475890587801 18.497932 6730 DG16_Neg.mzML 548944.2 0 395.0502252203929 18.603916 6739 DG16_Neg.mzML 0.0 0 717.149105992039 18.606167 6741 DG16_Neg.mzML 97925.35 0 357.058536750351 18.642384 6749 DG16_Neg.mzML 0.0 0 719.1650672163848 18.642317 6750 DG16_Neg.mzML 0.0 0 720.1689396589771 18.642317 6767 DG16_Neg.mzML 0.0 0 197.0447058467009 18.659409 6768 DG16_Neg.mzML 4219254.5 0 359.0753237995079 18.653734 6783 DG16_Neg.mzML 168532.56 0 313.0687445972345 18.68005 6785 DG16_Neg.mzML 150779.95 0 161.0234184268784 18.678804 6833 DG16_Neg.mzML 0.0 0 395.05173119130814 18.7907 6870 DG16_Neg.mzML 0.0 0 359.0766342585108 18.895233 6873 DG16_Neg.mzML 0.0 0 719.1636999951434 18.895233 6888 DG16_Neg.mzML 0.0 0 395.0533664082336 18.968884 6894 DG16_Neg.mzML 0.0 0 741.1391870336815 18.968884 6895 DG16_Neg.mzML 0.0 0 742.1421425162557 18.968884 6897 DG16_Neg.mzML 0.0 0 343.2108114359547 18.986166 6911 DG16_Neg.mzML 0.0 0 381.0586902489547 19.045784 6922 DG16_Neg.mzML 0.0 0 733.1933710335162 19.101683 6923 DG16_Neg.mzML 0.0 0 769.1703571396301 19.101683 6936 DG16_Neg.mzML 68721.805 0 263.1265239041477 19.086033 6938 DG16_Neg.mzML 0.0 0 417.0353968221287 19.1312 6957 DG16_Neg.mzML 0.0 0 599.1883318445449 19.187767 7015 DG16_Neg.mzML 0.0 0 493.22767740228807 19.414083 7019 DG16_Neg.mzML 48897.61 0 583.2465557662506 19.442217 7022 DG16_Neg.mzML 0.0 0 483.1994234198775 19.455833 7030 DG16_Neg.mzML 31639.357 0 547.2704677017712 19.492216 7045 DG16_Neg.mzML 0.0 0 607.2020555835472 19.539316 7059 DG16_Neg.mzML 0.0 0 597.1734953079364 19.580517 7075 DG16_Neg.mzML 137873.3 0 503.0963116039277 19.625967 7095 DG16_Neg.mzML 0.0 0 199.09586962823667 19.708267 7108 DG16_Neg.mzML 0.0 0 599.1830742056634 19.78545 7123 DG16_Neg.mzML 0.0 0 609.2158505373804 19.827267 7127 DG16_Neg.mzML 60911.395 0 527.2532679627636 19.8537 7128 DG16_Neg.mzML 50612.527 0 569.175477999126 19.8537 7134 DG16_Neg.mzML 0.0 0 365.0790419250887 19.893217 7157 DG16_Neg.mzML 0.0 0 983.2808665065562 20.030134 7177 DG16_Neg.mzML 0.0 0 651.1564095058027 20.076134 7179 DG16_Neg.mzML 0.0 0 709.117848437263 20.076134 7191 DG16_Neg.mzML 0.0 0 607.2030999277218 20.1174 7192 DG16_Neg.mzML 0.0 0 652.159680703141 20.1174 7196 DG16_Neg.mzML 0.0 0 463.0885611599512 20.136683 7199 DG16_Neg.mzML 0.0 0 597.1747742564713 20.155567 7216 DG16_Neg.mzML 54605.65 0 347.24173892264434 20.259216 7225 DG16_Neg.mzML 0.0 0 731.1600396743183 20.268116 7230 DG16_Neg.mzML 0.0 0 397.1132165068205 20.272 7253 DG16_Neg.mzML 105194.73 0 569.1757989123269 20.309483 7267 DG16_Neg.mzML 0.0 0 397.1122689512204 20.3594 7287 DG16_Neg.mzML 0.0 0 311.0908309312591 20.4471 7292 DG16_Neg.mzML 0.0 0 879.1983942429124 20.463882 7303 DG16_Neg.mzML 0.0 0 365.07799051044987 20.4885 7305 DG16_Neg.mzML 0.0 0 983.2819140174267 20.503584 7317 DG16_Neg.mzML 0.0 0 537.2830476626128 20.583767 7337 DG16_Neg.mzML 47233.785 0 609.2143164767017 20.651184 7363 DG16_Neg.mzML 37279.97 0 535.14311702769 20.811266 7375 DG16_Neg.mzML 0.0 0 343.0826323225848 20.8666 7377 DG16_Neg.mzML 0.0 0 397.1119853800615 20.878483 7379 DG16_Neg.mzML 0.0 0 731.1597079471553 20.872541 7389 DG16_Neg.mzML 45414.05 0 559.3172872985081 20.907867 7400 DG16_Neg.mzML 30925.42 0 557.3024795530298 20.958633 7408 DG16_Neg.mzML 0.0 0 681.1680485361367 20.984766 7411 DG16_Neg.mzML 0.0 0 489.10002684988297 21.005434 7423 DG16_Neg.mzML 54533.594 0 345.2245392055426 21.05325 7443 DG16_Neg.mzML 49368.07 0 513.2069907907679 21.09645 7445 DG16_Neg.mzML 39131.43 0 525.2424738390457 21.09645 7457 DG16_Neg.mzML 0.0 0 493.1139459089703 21.1379 7465 DG16_Neg.mzML 31192.1 0 477.2297908025994 21.139116 7472 DG16_Neg.mzML 0.0 0 535.090166497946 21.177784 7473 DG16_Neg.mzML 0.0 0 559.0861728859848 21.177784 7502 DG16_Neg.mzML 0.0 0 719.1602929541771 21.254583 7520 DG16_Neg.mzML 0.0 0 559.0821792826275 21.412167 7526 DG16_Neg.mzML 0.0 0 483.20021726619945 21.464733 7542 DG16_Neg.mzML 0.0 0 717.1474126008013 21.549366 7554 DG16_Neg.mzML 0.0 0 295.0611145020093 21.666916 7561 DG16_Neg.mzML 0.0 0 491.0994889719933 21.704967 7570 DG16_Neg.mzML 0.0 0 447.1100188038369 21.704967 7571 DG16_Neg.mzML 0.0 0 493.1122957211195 21.713818 7580 DG16_Neg.mzML 0.0 0 535.0871552537515 21.735691 7588 DG16_Neg.mzML 0.0 0 559.0842449881684 21.769491 7615 DG16_Neg.mzML 0.0 0 397.1137373710149 21.949383 7621 DG16_Neg.mzML 0.0 0 653.1502991386352 21.993067 7622 DG16_Neg.mzML 0.0 0 713.1705551718138 21.99185 7637 DG16_Neg.mzML 49010.094 0 345.22560518846973 22.115734 7639 DG16_Neg.mzML 0.0 0 597.2675549300635 22.130667 7641 DG16_Neg.mzML 0.0 0 489.0990345996663 22.1416 7642 DG16_Neg.mzML 75013.39 0 201.1116283347032 22.168383 7650 DG16_Neg.mzML 0.0 0 201.1119154205468 22.234034 7665 DG16_Neg.mzML 22576.465 0 401.14024965466274 22.458967 7667 DG16_Neg.mzML 33954.242 0 557.3043089399977 22.458967 7670 DG16_Neg.mzML 0.0 0 437.1507699413265 22.508133 7677 DG16_Neg.mzML 65439.844 0 653.1507528613707 22.554726 7680 DG16_Neg.mzML 0.0 0 437.1506460109656 22.59355 7683 DG16_Neg.mzML 0.0 0 329.0662591731119 22.614758 7691 DG16_Neg.mzML 32842.812 0 401.1394943462384 22.725317 7694 DG16_Neg.mzML 0.0 0 537.2828305617861 22.728617 7701 DG16_Neg.mzML 0.0 0 743.1515054502514 22.776016 7702 DG16_Neg.mzML 0.0 0 469.1746712515143 22.823467 7706 DG16_Neg.mzML 0.0 0 629.2230494222753 22.83895 7709 DG16_Neg.mzML 0.0 0 667.1900335649389 22.8705 7712 DG16_Neg.mzML 28585.723 0 557.3035971700094 22.971666 7718 DG16_Neg.mzML 0.0 0 623.1634927425339 22.961134 7726 DG16_Neg.mzML 0.0 0 487.122615704952 23.004683 7740 DG16_Neg.mzML 33769.18 0 599.1887832225855 23.070316 7743 DG16_Neg.mzML 0.0 0 493.22934440279175 23.096518 7746 DG16_Neg.mzML 0.0 0 909.1904867980412 23.096518 7751 DG16_Neg.mzML 0.0 0 483.2013754304924 23.1391 7757 DG16_Neg.mzML 0.0 0 590.1274204512899 23.241533 7759 DG16_Neg.mzML 0.0 0 415.1065574919462 23.281067 7760 DG16_Neg.mzML 0.0 0 459.1822875610776 23.281067 7761 DG16_Neg.mzML 0.0 0 489.15645453815466 23.281067 7765 DG16_Neg.mzML 23775.049 0 971.3483614722862 23.367634 7768 DG16_Neg.mzML 0.0 0 177.05659670459588 23.427967 7771 DG16_Neg.mzML 0.0 0 667.1913445843721 23.427967 7776 DG16_Neg.mzML 22331.12 0 971.3489361073496 23.465616 7788 DG16_Neg.mzML 109438.734 0 705.3778576143902 23.565584 7794 DG16_Neg.mzML 0.0 0 735.169499642732 23.575333 7795 DG16_Neg.mzML 67571.48 0 669.4024195594053 23.6127 7798 DG16_Neg.mzML 0.0 0 533.248544689274 23.67625 7814 DG16_Neg.mzML 40866.04 0 583.2173786105435 23.798084 7821 DG16_Neg.mzML 42610.727 0 585.2330867892454 23.84325 7823 DG16_Neg.mzML 0.0 0 326.104223097362 23.912733 7824 DG16_Neg.mzML 0.0 0 343.0817185527588 23.878849 7832 DG16_Neg.mzML 0.0 0 621.2067595778104 23.946083 7834 DG16_Neg.mzML 53239.867 0 307.07180669167224 23.9795 7837 DG16_Neg.mzML 0.0 0 343.0837772963572 24.011 7838 DG16_Neg.mzML 0.0 0 515.2942864681418 24.042616 7842 DG16_Neg.mzML 0.0 0 537.2830284524656 24.103466 7843 DG16_Neg.mzML 38502.785 0 421.2000356133521 24.122433 7844 DG16_Neg.mzML 36628.902 0 431.22703574416346 24.122433 7860 DG16_Neg.mzML 113045.336 0 343.0805154851769 24.273867 7869 DG16_Neg.mzML 0.0 0 591.1615126613119 24.34975 7878 DG16_Neg.mzML 0.0 0 351.1579278644204 24.473316 7882 DG16_Neg.mzML 40010.69 0 569.179814443787 24.479967 7887 DG16_Neg.mzML 0.0 0 361.1861052705662 24.51425 7891 DG16_Neg.mzML 0.0 0 555.1871627035608 24.549467 7895 DG16_Neg.mzML 16836.564 0 655.3477427920627 24.567966 7901 DG16_Neg.mzML 14731.006 0 466.1726170432891 24.616417 7902 DG16_Neg.mzML 171043.92 0 343.0816925793402 24.618668 7906 DG16_Neg.mzML 40083.89 0 731.1607502890931 24.67395 7941 DG16_Neg.mzML 34304.547 0 983.2799471365922 24.945383 7947 DG16_Neg.mzML 0.0 0 737.1117452738296 24.957117 7958 DG16_Neg.mzML 0.0 0 715.1305591609743 25.039883 7966 DG16_Neg.mzML 30139.438 0 466.1717804444048 25.15635 7973 DG16_Neg.mzML 15763.086 0 559.2933779178524 25.15635 7976 DG16_Neg.mzML 0.0 0 419.0537354533327 25.161516 7985 DG16_Neg.mzML 0.0 0 383.077309707895 25.206259 7987 DG16_Neg.mzML 0.0 0 357.0623296474349 25.208534 7988 DG16_Neg.mzML 0.0 0 409.0702623402639 25.208534 7997 DG16_Neg.mzML 15114.163 0 199.1326908434207 25.273867 7999 DG16_Neg.mzML 0.0 0 548.0930880763578 25.290533 8001 DG16_Neg.mzML 0.0 0 489.1035541401805 25.3169 8002 DG16_Neg.mzML 0.0 0 555.1870404396286 25.3169 8005 DG16_Neg.mzML 0.0 0 409.0686877902056 25.33545 8020 DG16_Neg.mzML 19095.463 0 829.4406808149491 25.392616 8022 DG16_Neg.mzML 0.0 0 591.1633234712398 25.41375 8030 DG16_Neg.mzML 0.0 0 433.15645849198194 25.469034 8038 DG16_Neg.mzML 0.0 0 537.6056672718587 25.5186 8050 DG16_Neg.mzML 32009.258 0 373.0923719567104 25.606234 8053 DG16_Neg.mzML 0.0 0 409.06938749609054 25.62785 8057 DG16_Neg.mzML 0.0 0 548.0942130812434 25.644983 8060 DG16_Neg.mzML 0.0 0 441.0803873967939 25.6077 8065 DG16_Neg.mzML 0.0 0 537.6040985281156 25.6842 8088 DG16_Neg.mzML 17120.547 0 497.1814465563651 26.007683 8089 DG16_Neg.mzML 11339.567 0 971.352095741998 26.007683 8105 DG16_Neg.mzML 0.0 0 576.1263212282636 26.2544 8153 DG16_Neg.mzML 0.0 0 711.0988764554673 26.450117 8161 DG16_Neg.mzML 0.0 0 737.112147413585 26.496666 8163 DG16_Neg.mzML 0.0 0 715.1308835171762 26.534666 8165 DG16_Neg.mzML 0.0 0 761.1069771783502 26.5451 8178 DG16_Neg.mzML 27622.72 0 611.327195360723 26.584133 8193 DG16_Neg.mzML 17329.107 0 795.2644927140609 26.634233 8195 DG16_Neg.mzML 0.0 0 519.0926777681948 26.638567 8197 DG16_Neg.mzML 0.0 0 269.0452766276828 26.649666 8207 DG16_Neg.mzML 0.0 0 739.1257734252688 26.666517 8212 DG16_Neg.mzML 0.0 0 713.1127099686946 26.687784 8218 DG16_Neg.mzML 0.0 0 625.1353402399383 26.687784 8219 DG16_Neg.mzML 0.0 0 711.0948944270433 26.69796 8220 DG16_Neg.mzML 0.0 0 672.1418299295807 26.708134 8232 DG16_Neg.mzML 0.0 0 740.129467538929 26.736732 8238 DG16_Neg.mzML 0.0 0 671.1394109306145 26.765333 8249 DG16_Neg.mzML 49312.945 0 667.3897967208289 26.788666 8258 DG16_Neg.mzML 0.0 0 737.1114799750544 26.8084 8265 DG16_Neg.mzML 67423.12 0 703.366006663922 26.841284 8292 DG16_Neg.mzML 0.0 0 519.092728857974 26.93335 8296 DG16_Neg.mzML 0.0 0 679.3678290047883 26.951065 8309 DG16_Neg.mzML 13818.062 0 341.1953639229368 27.008333 8310 DG16_Neg.mzML 19881.605 0 981.265127928407 27.008333 8318 DG16_Neg.mzML 0.0 0 740.1291974161036 27.014233 8337 DG16_Neg.mzML 0.0 0 761.1077285258764 27.092884 8340 DG16_Neg.mzML 30937.965 0 209.1171991138358 27.123266 8366 DG16_Neg.mzML 16410.852 0 164.92676929067147 27.177134 8370 DG16_Neg.mzML 0.0 0 740.1282419047762 27.21265 8375 DG16_Neg.mzML 0.0 0 715.1296373334173 27.215683 8397 DG16_Neg.mzML 0.0 0 739.126518013939 27.273642 8408 DG16_Neg.mzML 0.0 0 358.06786861196525 27.294634 8420 DG16_Neg.mzML 0.0 0 740.1303647674223 27.3309 8424 DG16_Neg.mzML 0.0 0 731.1237927127816 27.332985 8428 DG16_Neg.mzML 0.0 0 711.0906431419417 27.336983 8432 DG16_Neg.mzML 16710.428 0 341.1960113871401 27.342417 8434 DG16_Neg.mzML 0.0 0 672.1420305201066 27.354158 8448 DG16_Neg.mzML 0.0 0 519.0924175301501 27.397467 8469 DG16_Neg.mzML 0.0 0 717.1423359925454 27.455833 8474 DG16_Neg.mzML 0.0 0 669.1211919091653 27.462833 8476 DG16_Neg.mzML 0.0 0 671.1386021206122 27.475449 8481 DG16_Neg.mzML 0.0 0 711.0985818510995 27.488066 8482 DG16_Neg.mzML 0.0 0 718.1485872751155 27.488066 8484 DG16_Neg.mzML 21161.4 0 505.1844150131451 27.494667 8506 DG16_Neg.mzML 0.0 0 667.1393164517806 27.577682 8512 DG16_Neg.mzML 36743.777 0 525.245931994808 27.598867 8517 DG16_Neg.mzML 0.0 0 740.1260063857497 27.614616 8530 DG16_Neg.mzML 0.0 0 849.1630850760287 27.65105 8547 DG16_Neg.mzML 23763.205 0 632.314799517863 27.763283 8555 DG16_Neg.mzML 0.0 0 551.1175034053712 27.821234 8567 DG16_Neg.mzML 0.0 0 983.201971763962 27.87435 8583 DG16_Neg.mzML 0.0 0 491.096726582381 27.990616 8589 DG16_Neg.mzML 0.0 0 489.0822458501512 28.007435 8597 DG16_Neg.mzML 33940.2 0 373.0927486960427 28.043333 8602 DG16_Neg.mzML 0.0 0 665.3894396457331 28.063467 8616 DG16_Neg.mzML 43165.516 0 669.4025835179337 28.1418 8631 DG16_Neg.mzML 0.0 0 983.2043863133626 28.186075 8636 DG16_Neg.mzML 0.0 0 549.0647544545094 28.199484 8637 DG16_Neg.mzML 110305.04 0 705.3750906589901 28.23645 8639 DG16_Neg.mzML 0.0 0 491.097233116756 28.215467 8642 DG16_Neg.mzML 0.0 0 513.0803005666444 28.215467 8643 DG16_Neg.mzML 0.0 0 551.1195673717014 28.215467 8678 DG16_Neg.mzML 0.0 0 549.065474613006 28.327116 8683 DG16_Neg.mzML 74270.414 0 667.3871016009886 28.327633 8684 DG16_Neg.mzML 140572.27 0 703.3633253350764 28.327633 8687 DG16_Neg.mzML 0.0 0 551.1203425026546 28.357983 8692 DG16_Neg.mzML 56767.434 0 513.0796046234424 28.394684 8706 DG16_Neg.mzML 0.0 0 242.99595146553992 28.436617 8720 DG16_Neg.mzML 158356.72 0 489.0811350226443 28.472916 8721 DG16_Neg.mzML 632396.06 0 491.0964069013303 28.472916 8736 DG16_Neg.mzML 0.0 0 983.2023690082792 28.511234 8740 DG16_Neg.mzML 47845.664 0 487.0653860358258 28.512564 8766 DG16_Neg.mzML 0.0 0 549.0801406990357 28.622984 8768 DG16_Neg.mzML 0.0 0 513.0789128165255 28.627266 8776 DG16_Neg.mzML 52205.92 0 667.3871693814806 28.637184 8802 DG16_Neg.mzML 0.0 0 489.09181355566665 28.786734 8808 DG16_Neg.mzML 28238.12 0 353.0264989377926 28.822666 8810 DG16_Neg.mzML 48570.375 0 759.283137051104 28.822666 8816 DG16_Neg.mzML 1860319.2 0 285.03920948633754 28.843416 8820 DG16_Neg.mzML 0.0 0 491.0971681202829 28.864166 8824 DG16_Neg.mzML 0.0 0 507.0923182065201 28.864166 8827 DG16_Neg.mzML 32719.523 0 283.0235727869066 28.87075 8844 DG16_Neg.mzML 40549.16 0 955.2885831618756 28.955116 8860 DG16_Neg.mzML 0.0 0 505.11092525171415 29.021334 8864 DG16_Neg.mzML 41529.78 0 613.2301680198118 29.04225 8876 DG16_Neg.mzML 0.0 0 573.100488506183 29.081766 8888 DG16_Neg.mzML 0.0 0 609.0758702456998 29.099466 8898 DG16_Neg.mzML 0.0 0 551.117262319133 29.121433 8906 DG16_Neg.mzML 0.0 0 505.1096680688501 29.1434 8913 DG16_Neg.mzML 41662.438 0 489.2666881160543 29.175333 8923 DG16_Neg.mzML 0.0 0 637.3769824118997 29.262684 8927 DG16_Neg.mzML 0.0 0 850.1666751115761 29.262684 8930 DG16_Neg.mzML 32263.738 0 257.13764036667567 29.268583 8932 DG16_Neg.mzML 38528.418 0 213.11146998011696 29.268583 8934 DG16_Neg.mzML 0.0 0 675.3624734132937 29.303783 8942 DG16_Neg.mzML 100286.664 0 543.3263561933395 29.3084 8945 DG16_Neg.mzML 0.0 0 849.1638021202543 29.324932 8953 DG16_Neg.mzML 0.0 0 871.1460948981013 29.344868 8956 DG16_Neg.mzML 0.0 0 473.1077449939382 29.346083 8959 DG16_Neg.mzML 0.0 0 509.0852641591574 29.346083 8974 DG16_Neg.mzML 0.0 0 850.1674529390341 29.38595 8978 DG16_Neg.mzML 30797.271 0 639.2992418209275 29.4074 8999 DG16_Neg.mzML 0.0 0 371.07693928720585 29.559816 9000 DG16_Neg.mzML 398977.3 0 409.06814283033145 29.5484 9003 DG16_Neg.mzML 877406.7 0 373.0916627858617 29.561707 9017 DG16_Neg.mzML 60292.61 0 667.3855306943761 29.61995 9018 DG16_Neg.mzML 93785.6 0 703.3616960828656 29.61995 9027 DG16_Neg.mzML 52083.35 0 449.2720944406808 29.659483 9029 DG16_Neg.mzML 0.0 0 673.3539455941476 29.669767 9037 DG16_Neg.mzML 142584.62 0 325.2004366173725 29.704082 9039 DG16_Neg.mzML 58225.715 0 583.216376876246 29.70075 9042 DG16_Neg.mzML 0.0 0 705.377089060876 29.72305 9053 DG16_Neg.mzML 47727.707 0 489.26811507902687 29.789717 9055 DG16_Neg.mzML 0.0 0 639.3918256443384 29.792667 9059 DG16_Neg.mzML 0.0 0 667.3883986721111 29.80805 9061 DG16_Neg.mzML 0.0 0 703.3654353058637 29.80805 9069 DG16_Neg.mzML 0.0 0 675.3684026478411 29.835533 9075 DG16_Neg.mzML 54371.848 0 437.2281719691932 29.835318 9087 DG16_Neg.mzML 0.0 0 577.2844190168606 29.918617 9106 DG16_Neg.mzML 67503.48 0 667.3852405988762 30.051567 9115 DG16_Neg.mzML 0.0 0 665.1696471549475 30.04385 9117 DG16_Neg.mzML 0.0 0 733.1595932390088 30.04385 9126 DG16_Neg.mzML 138557.72 0 703.3619269150794 30.051567 9139 DG16_Neg.mzML 300174.16 0 639.2989026110884 30.089817 9141 DG16_Neg.mzML 259913.28 0 675.2751135480559 30.089817 9146 DG16_Neg.mzML 93890.805 0 205.04935257952744 30.093613 9151 DG16_Neg.mzML 0.0 0 517.0785523803604 30.13015 9157 DG16_Neg.mzML 0.0 0 761.1725181256185 30.150734 9171 DG16_Neg.mzML 65708.13 0 213.1115929006833 30.218018 9184 DG16_Neg.mzML 0.0 0 651.1529571324061 30.244217 9187 DG16_Neg.mzML 0.0 0 361.0476537404824 30.251558 9189 DG16_Neg.mzML 0.0 0 325.07091697399585 30.251558 9197 DG16_Neg.mzML 0.0 0 323.0552707920684 30.274324 9198 DG16_Neg.mzML 91398.44 0 491.28377126334567 30.296082 9215 DG16_Neg.mzML 0.0 0 291.1226679081101 30.38135 9217 DG16_Neg.mzML 0.0 0 935.2038819363064 30.38135 9227 DG16_Neg.mzML 157049.02 0 541.3115075005167 30.386524 9228 DG16_Neg.mzML 43011.523 0 437.2285144946967 30.427633 9236 DG16_Neg.mzML 88949.93 0 325.2005024693522 30.427633 9242 DG16_Neg.mzML 0.0 0 287.1483979408675 30.4741 9251 DG16_Neg.mzML 45075.867 0 489.26795060471176 30.52135 9256 DG16_Neg.mzML 0.0 0 385.0920219279377 30.51865 9257 DG16_Neg.mzML 0.0 0 421.0686573445775 30.51865 9268 DG16_Neg.mzML 0.0 0 695.2164849830577 30.559317 9275 DG16_Neg.mzML 108574.56 0 543.3255241421072 30.5725 9276 DG16_Neg.mzML 0.0 0 701.149341445418 30.574642 9282 DG16_Neg.mzML 0.0 0 673.3515902437497 30.602182 9287 DG16_Neg.mzML 0.0 0 577.2202016733611 30.63035 9292 DG16_Neg.mzML 45072.55 0 357.2268364771569 30.6531 9297 DG16_Neg.mzML 0.0 0 731.1596291398131 30.672567 9313 DG16_Neg.mzML 91005.29 0 688.3676626963456 30.740767 9325 DG16_Neg.mzML 105950.23 0 507.0920683343145 30.769466 9338 DG16_Neg.mzML 0.0 0 505.07817770363135 30.7591 9349 DG16_Neg.mzML 109095.125 0 503.0958358832165 30.8087 9353 DG16_Neg.mzML 0.0 0 693.1668036171226 30.82015 9354 DG16_Neg.mzML 155286.84 0 215.1275225524646 30.82564 9367 DG16_Neg.mzML 0.0 0 695.2160353406499 30.8608 9418 DG16_Neg.mzML 173131.5 0 395.2026314681021 31.04226 9419 DG16_Neg.mzML 2942187.2 0 327.2157452395255 31.029785 9420 DG16_Neg.mzML 142247.23 0 363.1918567194693 31.022942 9423 DG16_Neg.mzML 140726.27 0 385.173976761491 31.04226 9450 DG16_Neg.mzML 0.0 0 439.24450801868295 31.0862 9451 DG16_Neg.mzML 0.0 0 505.1116499070441 31.12685 9452 DG16_Neg.mzML 0.0 0 809.3005101427759 31.12685 9456 DG16_Neg.mzML 0.0 0 810.3047412355965 31.12685 9457 DG16_Neg.mzML 0.0 0 541.0908773524859 31.12685 9463 DG16_Neg.mzML 0.0 0 677.2049049888813 31.139633 9480 DG16_Neg.mzML 0.0 0 521.3276709742088 31.16655 9485 DG16_Neg.mzML 111102.05 0 283.1073864615372 31.183968 9510 DG16_Neg.mzML 80431.15 0 325.1994022191601 31.2678 9512 DG16_Neg.mzML 89517.125 0 541.308957281458 31.2678 9515 DG16_Neg.mzML 0.0 0 765.3159882052889 31.296034 9528 DG16_Neg.mzML 1112706.0 0 327.2158235590755 31.3459 9530 DG16_Neg.mzML 67356.17 0 385.1732770071819 31.349417 9532 DG16_Neg.mzML 91753.266 0 437.2284952848811 31.349417 9544 DG16_Neg.mzML 0.0 0 541.3127344062484 31.3612 9557 DG16_Neg.mzML 0.0 0 649.3920467120325 31.3886 9564 DG16_Neg.mzML 0.0 0 169.08617387508914 31.434116 9567 DG16_Neg.mzML 0.0 0 519.2730867566709 31.460333 9569 DG16_Neg.mzML 43402.598 0 257.1375332276811 31.4747 9574 DG16_Neg.mzML 0.0 0 577.1312011720665 31.501467 9575 DG16_Neg.mzML 0.0 0 599.1155932261543 31.501467 9582 DG16_Neg.mzML 43355.508 0 519.3112665545364 31.519367 9591 DG16_Neg.mzML 0.0 0 327.21545787379443 31.57505 9593 DG16_Neg.mzML 104100.2 0 395.2030258200655 31.578468 9596 DG16_Neg.mzML 146028.98 0 541.3104785974566 31.6053 9606 DG16_Neg.mzML 0.0 0 543.3242585280339 31.623034 9609 DG16_Neg.mzML 0.0 0 617.349834311706 31.636784 9610 DG16_Neg.mzML 0.0 0 653.3290107486027 31.636784 9614 DG16_Neg.mzML 52030.215 0 548.3397546968126 31.648184 9663 DG16_Neg.mzML 134198.55 0 252.1223625311873 31.81965 9670 DG16_Neg.mzML 0.0 0 517.316500059773 31.843718 9675 DG16_Neg.mzML 0.0 0 731.1582161726568 31.8518 9677 DG16_Neg.mzML 221021.77 0 313.06974200613274 31.85925 9687 DG16_Neg.mzML 78834.195 0 325.1997527914024 31.85925 9688 DG16_Neg.mzML 0.0 0 809.3037945524915 31.8876 9690 DG16_Neg.mzML 0.0 0 845.2821396540154 31.8876 9703 DG16_Neg.mzML 0.0 0 327.2158758444787 31.93495 9706 DG16_Neg.mzML 0.0 0 695.2153000734577 31.93495 9727 DG16_Neg.mzML 0.0 0 541.3123420813167 32.00406 9736 DG16_Neg.mzML 126441.695 0 426.2838635451365 32.01779 9740 DG16_Neg.mzML 0.0 0 713.112120263228 32.01808 9744 DG16_Neg.mzML 240347.17 0 297.1231494439484 32.05725 9754 DG16_Neg.mzML 49038.45 0 345.2274650658861 32.11152 9760 DG16_Neg.mzML 0.0 0 831.4373509098505 32.126366 9765 DG16_Neg.mzML 50883.13 0 813.4497440459148 32.142384 9767 DG16_Neg.mzML 0.0 0 487.0655567937653 32.142883 9782 DG16_Neg.mzML 0.0 0 541.3139714106638 32.207283 9794 DG16_Neg.mzML 598365.7 0 331.24798786858 32.259693 9797 DG16_Neg.mzML 0.0 0 367.2210338802735 32.261883 9800 DG16_Neg.mzML 112535.625 0 512.3004160365724 32.265533 9810 DG16_Neg.mzML 236103.17 0 269.0450166085988 32.297974 9851 DG16_Neg.mzML 2308053.8 0 329.23193956282216 32.419056 9852 DG16_Neg.mzML 128108.72 0 365.20819379409767 32.419056 9854 DG16_Neg.mzML 172097.83 0 397.21925358567074 32.419056 9856 DG16_Neg.mzML 0.0 0 505.113404301953 32.419617 9874 DG16_Neg.mzML 871966.25 0 512.2958549352244 32.457283 9888 DG16_Neg.mzML 84273.086 0 439.2761913722868 32.53858 9900 DG16_Neg.mzML 0.0 0 677.2066572293844 32.579384 9923 DG16_Neg.mzML 0.0 0 521.2844269879639 32.654385 9927 DG16_Neg.mzML 450942.8 0 299.0543536325225 32.65605 9932 DG16_Neg.mzML 102878.086 0 509.24908078789656 32.65605 9937 DG16_Neg.mzML 314586.56 0 313.07081794806453 32.659134 9938 DG16_Neg.mzML 0.0 0 349.0480053729852 32.660675 9940 DG16_Neg.mzML 97512.18 0 361.1760389236524 32.693466 9952 DG16_Neg.mzML 0.0 0 283.1537749170954 32.736633 9979 DG16_Neg.mzML 0.0 0 321.1337923513391 32.86487 9988 DG16_Neg.mzML 3386448.0 0 327.2160507757472 32.879063 9989 DG16_Neg.mzML 152284.6 0 385.17363815681085 32.896782 9990 DG16_Neg.mzML 173415.48 0 395.20173974037766 32.896782 10009 DG16_Neg.mzML 0.0 0 709.2336398429484 32.904316 10010 DG16_Neg.mzML 0.0 0 565.1362158305915 32.91109 10042 DG16_Neg.mzML 0.0 0 577.132694739715 32.982983 10050 DG16_Neg.mzML 68641.25 0 428.2969719113477 33.016933 10056 DG16_Neg.mzML 273960.4 0 514.3107017819424 33.016933 10060 DG16_Neg.mzML 0.0 0 667.3315335051798 33.02325 10069 DG16_Neg.mzML 0.0 0 301.2006801456749 33.054665 10083 DG16_Neg.mzML 0.0 0 689.388603569425 33.088768 10098 DG16_Neg.mzML 0.0 0 737.1152901344966 33.13027 10104 DG16_Neg.mzML 110783.305 0 509.2480204631457 33.139534 10132 DG16_Neg.mzML 69459.45 0 597.23214680972 33.223434 10145 DG16_Neg.mzML 175449.75 0 287.221031999188 33.254597 10152 DG16_Neg.mzML 0.0 0 711.1921417755847 33.2767 10154 DG16_Neg.mzML 142010.25 0 426.2821242554304 33.304432 10162 DG16_Neg.mzML 0.0 0 445.094400322622 33.304466 10183 DG16_Neg.mzML 120902.26 0 440.297026834865 33.34485 10192 DG16_Neg.mzML 0.0 0 419.2646900071938 33.386234 10212 DG16_Neg.mzML 305816.4 0 329.23167784138514 33.447124 10241 DG16_Neg.mzML 0.0 0 229.14394217728915 33.519733 10244 DG16_Neg.mzML 0.0 0 649.3967582947571 33.519733 10283 DG16_Neg.mzML 0.0 0 537.0808377246697 33.604084 10286 DG16_Neg.mzML 0.0 0 687.372284077692 33.604782 10297 DG16_Neg.mzML 0.0 0 329.23220891011016 33.646793 10307 DG16_Neg.mzML 0.0 0 692.353922725034 33.642185 10334 DG16_Neg.mzML 0.0 0 539.2979430344288 33.69865 10336 DG16_Neg.mzML 48259.42 0 307.18848010664937 33.710716 10341 DG16_Neg.mzML 0.0 0 449.2383376586226 33.724068 10366 DG16_Neg.mzML 306723.84 0 309.2046574500752 33.794426 10387 DG16_Neg.mzML 153010.95 0 239.12778353039408 33.861183 10388 DG16_Neg.mzML 59719.867 0 578.3055684075605 33.863274 10390 DG16_Neg.mzML 0.0 0 445.0943752446582 33.890865 10391 DG16_Neg.mzML 0.0 0 385.2237233198856 33.890865 10407 DG16_Neg.mzML 0.0 0 431.2268933050656 33.893433 10414 DG16_Neg.mzML 0.0 0 491.315769951644 33.937 10425 DG16_Neg.mzML 69600.35 0 307.19040767179456 33.967697 10427 DG16_Neg.mzML 0.0 0 487.2864395129765 33.981182 10432 DG16_Neg.mzML 0.0 0 447.3307649242141 34.024532 10439 DG16_Neg.mzML 0.0 0 387.28597361162696 34.028435 10440 DG16_Neg.mzML 571320.44 0 341.2313963138401 34.0436 10443 DG16_Neg.mzML 58932.473 0 409.2176670313427 34.0436 10445 DG16_Neg.mzML 81604.266 0 524.2950385711423 34.0436 10446 DG16_Neg.mzML 190822.64 0 329.2321594152186 34.06097 10461 DG16_Neg.mzML 63338.598 0 442.31371809781615 34.084183 10462 DG16_Neg.mzML 0.0 0 505.11623754831874 34.116783 10464 DG16_Neg.mzML 125718.25 0 322.2003862245931 34.09584 10506 DG16_Neg.mzML 0.0 0 487.2886305206723 34.23575 10522 DG16_Neg.mzML 0.0 0 309.20575223324084 34.285816 10523 DG16_Neg.mzML 0.0 0 341.2290430470754 34.285816 10529 DG16_Neg.mzML 119112.0 0 440.2979451148586 34.299484 10533 DG16_Neg.mzML 0.0 0 623.1189128614716 34.330303 10545 DG16_Neg.mzML 0.0 0 593.270258782586 34.357117 10547 DG16_Neg.mzML 0.0 0 533.3286254185217 34.369385 10569 DG16_Neg.mzML 0.0 0 303.0074417038669 34.462868 10574 DG16_Neg.mzML 42815.984 0 382.2552436979806 34.4814 10576 DG16_Neg.mzML 0.0 0 313.237696999795 34.49492 10578 DG16_Neg.mzML 0.0 0 345.26321047607723 34.49492 10588 DG16_Neg.mzML 124718.61 0 431.2605702197673 34.524403 10599 DG16_Neg.mzML 126321.79 0 421.2323119080877 34.524403 10601 DG16_Neg.mzML 0.0 0 580.3255966484995 34.534767 10613 DG16_Neg.mzML 0.0 0 475.29165194173146 34.56705 10629 DG16_Neg.mzML 0.0 0 349.20024489186494 34.61585 10639 DG16_Neg.mzML 0.0 0 537.0825860912664 34.65295 10668 DG16_Neg.mzML 117161.05 0 529.2991243707612 34.772827 10670 DG16_Neg.mzML 0.0 0 580.3233831823335 34.774937 10684 DG16_Neg.mzML 130661.1 0 565.2765278777312 34.792404 10698 DG16_Neg.mzML 0.0 0 313.23860599258694 34.852333 10706 DG16_Neg.mzML 75195.14 0 343.16678905441165 34.852028 10708 DG16_Neg.mzML 852924.25 0 307.1894422685011 34.85213 10709 DG16_Neg.mzML 125795.92 0 375.1790631174384 34.852028 10738 DG16_Neg.mzML 0.0 0 287.1856252863183 34.969658 10741 DG16_Neg.mzML 0.0 0 369.22383939306377 34.986065 10744 DG16_Neg.mzML 0.0 0 311.22062573306755 34.996334 10750 DG16_Neg.mzML 0.0 0 271.15372192582544 35.027233 10755 DG16_Neg.mzML 0.0 0 187.13312223694027 35.040432 10777 DG16_Neg.mzML 0.0 0 243.1591232795749 35.086082 10778 DG16_Neg.mzML 898338.8 0 309.2051821828307 35.096233 10779 DG16_Neg.mzML 101592.68 0 345.1810302804016 35.096233 10793 DG16_Neg.mzML 0.0 0 309.1747952095491 35.13145 10796 DG16_Neg.mzML 523841.78 0 341.230857805534 35.13785 10797 DG16_Neg.mzML 85945.83 0 377.1941505906301 35.13785 10807 DG16_Neg.mzML 0.0 0 707.1526973910493 35.157833 10814 DG16_Neg.mzML 68740.05 0 695.3797212493325 35.1795 10815 DG16_Neg.mzML 0.0 0 271.1541503371502 35.198032 10817 DG16_Neg.mzML 0.0 0 673.3218487204495 35.198032 10818 DG16_Neg.mzML 0.0 0 674.325338175897 35.198032 10822 DG16_Neg.mzML 56120.824 0 491.2412150746976 35.2232 10832 DG16_Neg.mzML 71726.16 0 356.2423146944898 35.267025 10833 DG16_Neg.mzML 0.0 0 325.20190106476764 35.26782 10844 DG16_Neg.mzML 266383.78 0 309.20474804847663 35.308765 10855 DG16_Neg.mzML 0.0 0 529.30018104667 35.319435 10879 DG16_Neg.mzML 0.0 0 861.4460804282738 35.40415 10889 DG16_Neg.mzML 0.0 0 582.3412185780085 35.447567 10890 DG16_Neg.mzML 0.0 0 311.1877878828016 35.425858 10916 DG16_Neg.mzML 0.0 0 323.1863044726149 35.486683 10929 DG16_Neg.mzML 48881.258 0 491.2410833992718 35.563282 10941 DG16_Neg.mzML 93529.15 0 476.31984099598617 35.6044 10947 DG16_Neg.mzML 0.0 0 669.290187045785 35.607784 10952 DG16_Neg.mzML 115483.11 0 387.2376522746552 35.64562 10959 DG16_Neg.mzML 1600374.4 0 293.17482069806726 35.65127 10960 DG16_Neg.mzML 0.0 0 351.1353560938232 35.65938 10961 DG16_Neg.mzML 122736.52 0 361.1637657520787 35.65127 10969 DG16_Neg.mzML 0.0 0 609.3406730722398 35.65938 10971 DG16_Neg.mzML 0.0 0 236.1042529079093 35.6541 11010 DG16_Neg.mzML 299578.4 0 837.4107377021462 35.768494 11011 DG16_Neg.mzML 154575.06 0 873.3879407988175 35.768494 11022 DG16_Neg.mzML 85479.6 0 377.199044525079 35.80375 11028 DG16_Neg.mzML 0.0 0 723.1691545413419 35.81008 11029 DG16_Neg.mzML 0.0 0 759.1457744216094 35.81008 11032 DG16_Neg.mzML 480869.6 0 309.2051834045291 35.826385 11035 DG16_Neg.mzML 282789.4 0 311.2217716156988 35.8391 11045 DG16_Neg.mzML 0.0 0 483.2361239519546 35.835335 11074 DG16_Neg.mzML 0.0 0 580.3243394507981 35.96595 11085 DG16_Neg.mzML 0.0 0 669.2909488486522 35.972633 11118 DG16_Neg.mzML 5086320.5 0 311.2204862765988 36.026474 11119 DG16_Neg.mzML 341050.38 0 379.2081514926976 36.042233 11120 DG16_Neg.mzML 106521.27 0 543.279784218404 36.042233 11121 DG16_Neg.mzML 0.0 0 305.1742286435362 36.032375 11131 DG16_Neg.mzML 501727.6 0 645.4294963438564 36.042233 11162 DG16_Neg.mzML 280505.7 0 309.2020471461774 36.117535 11169 DG16_Neg.mzML 0.0 0 301.2005620347588 36.151085 11180 DG16_Neg.mzML 267745.72 0 345.180788636494 36.157032 11189 DG16_Neg.mzML 0.0 0 311.22154922639663 36.158836 11190 DG16_Neg.mzML 0.0 0 379.2066687147936 36.151085 11199 DG16_Neg.mzML 199973.47 0 386.288378405089 36.195168 11203 DG16_Neg.mzML 0.0 0 349.2128721376471 36.204792 11206 DG16_Neg.mzML 0.0 0 309.18647618636163 36.206 11222 DG16_Neg.mzML 0.0 0 309.1734359120089 36.254 11228 DG16_Neg.mzML 137252.03 0 675.3566281327456 36.273182 11229 DG16_Neg.mzML 0.0 0 711.3341971937349 36.283817 11230 DG16_Neg.mzML 145062.73 0 721.3625163882599 36.273182 11233 DG16_Neg.mzML 0.0 0 257.17502097208416 36.30028 11235 DG16_Neg.mzML 0.0 0 483.2369168105501 36.30028 11239 DG16_Neg.mzML 0.0 0 194.08088051776969 36.322334 11254 DG16_Neg.mzML 124804.555 0 636.3138348309843 36.3534 11262 DG16_Neg.mzML 0.0 0 641.1656046685545 36.36175 11266 DG16_Neg.mzML 0.0 0 239.1275648140292 36.346233 11296 DG16_Neg.mzML 0.0 0 339.18152477784247 36.447384 11299 DG16_Neg.mzML 87097.84 0 323.2211484322016 36.47265 11307 DG16_Neg.mzML 103532.625 0 360.2738107915054 36.482132 11329 DG16_Neg.mzML 0.0 0 562.3137662083946 36.565582 11333 DG16_Neg.mzML 0.0 0 641.1654049110597 36.565582 11337 DG16_Neg.mzML 0.0 0 722.366861311036 36.565582 11342 DG16_Neg.mzML 855532.2 0 675.3585994290186 36.587933 11343 DG16_Neg.mzML 630826.3 0 711.3350563109104 36.57676 11344 DG16_Neg.mzML 851738.56 0 721.3636978621797 36.57676 11348 DG16_Neg.mzML 0.0 0 221.0941135405828 36.5797 11380 DG16_Neg.mzML 0.0 0 194.0812250209308 36.641018 11395 DG16_Neg.mzML 0.0 0 201.14841478775992 36.723915 11401 DG16_Neg.mzML 0.0 0 677.141343210815 36.726215 11403 DG16_Neg.mzML 320835.34 0 323.22154362513413 36.743767 11406 DG16_Neg.mzML 222300.61 0 424.3049634823476 36.743767 11422 DG16_Neg.mzML 0.0 0 323.1864749002028 36.77045 11434 DG16_Neg.mzML 0.0 0 699.3935014424208 36.76935 11444 DG16_Neg.mzML 0.0 0 552.2856748800185 36.80835 11445 DG16_Neg.mzML 480764.62 0 562.3138949759826 36.815258 11447 DG16_Neg.mzML 0.0 0 132.9226047958089 36.82135 11461 DG16_Neg.mzML 0.0 0 637.4006893375563 36.875484 11479 DG16_Neg.mzML 0.0 0 293.17523873023174 36.92555 11480 DG16_Neg.mzML 0.0 0 361.1648632646303 36.92555 11489 DG16_Neg.mzML 448142.28 0 313.2375652060672 36.93789 11499 DG16_Neg.mzML 110771.27 0 309.205658304138 36.95809 11500 DG16_Neg.mzML 185841.36 0 345.1832592701016 36.95809 11509 DG16_Neg.mzML 0.0 0 641.1658314120363 36.973583 11517 DG16_Neg.mzML 93985.86 0 311.22206573692466 36.983383 11535 DG16_Neg.mzML 111606.22 0 815.4286579222695 37.0263 11551 DG16_Neg.mzML 0.0 0 538.3126826613999 37.096466 11560 DG16_Neg.mzML 65329.61 0 440.3010175420556 37.110783 11576 DG16_Neg.mzML 0.0 0 313.2373188217744 37.1379 11578 DG16_Neg.mzML 118261.875 0 381.2252539618347 37.15205 11582 DG16_Neg.mzML 215150.27 0 638.3293905351051 37.15205 11607 DG16_Neg.mzML 0.0 0 477.2848499990381 37.21655 11621 DG16_Neg.mzML 68165.42 0 295.19139046297613 37.231533 11627 DG16_Neg.mzML 0.0 0 271.19068803084605 37.23894 11636 DG16_Neg.mzML 0.0 0 557.2975154901724 37.255615 11643 DG16_Neg.mzML 0.0 0 313.237461609574 37.261333 11664 DG16_Neg.mzML 104430.98 0 291.1955720436698 37.30794 11679 DG16_Neg.mzML 0.0 0 347.1975476592953 37.3487 11686 DG16_Neg.mzML 233737.8 0 677.3737203489316 37.36954 11687 DG16_Neg.mzML 0.0 0 713.3494975545016 37.378582 11695 DG16_Neg.mzML 0.0 0 564.328357754319 37.378582 11696 DG16_Neg.mzML 228790.38 0 723.3789549914684 37.388756 11698 DG16_Neg.mzML 0.0 0 194.0814401256829 37.399517 11706 DG16_Neg.mzML 100521.33 0 647.3283956264919 37.398933 11720 DG16_Neg.mzML 0.0 0 311.22069382817784 37.44775 11733 DG16_Neg.mzML 0.0 0 270.2064687501034 37.44775 11752 DG16_Neg.mzML 125252.5 0 699.3814904438625 37.478085 11754 DG16_Neg.mzML 82254.88 0 308.2219973387761 37.478085 11791 DG16_Neg.mzML 79030.66 0 449.23106539257344 37.561184 11794 DG16_Neg.mzML 0.0 0 385.25811567300457 37.5765 11800 DG16_Neg.mzML 167849.44 0 291.1957040174102 37.588367 11803 DG16_Neg.mzML 0.0 0 323.1855743792608 37.594517 11814 DG16_Neg.mzML 0.0 0 554.3014273702231 37.61762 11829 DG16_Neg.mzML 0.0 0 632.3177271368539 37.61762 11830 DG16_Neg.mzML 556090.7 0 564.3298833315207 37.628277 11856 DG16_Neg.mzML 167605.95 0 347.1982125521498 37.677902 11878 DG16_Neg.mzML 0.0 0 559.3121264141395 37.697983 11879 DG16_Neg.mzML 85575.34 0 273.1500696630121 37.717335 11899 DG16_Neg.mzML 102652.56 0 315.2522267936821 37.765335 11910 DG16_Neg.mzML 318388.75 0 614.3307223368151 37.7575 11938 DG16_Neg.mzML 66420.37 0 547.312832530171 37.839867 11943 DG16_Neg.mzML 0.0 0 845.4505901602635 37.860985 11958 DG16_Neg.mzML 0.0 0 433.2591804420626 37.860985 11985 DG16_Neg.mzML 319159.1 0 549.2833612785826 37.928307 11986 DG16_Neg.mzML 795029.44 0 559.3115124509413 37.928307 11988 DG16_Neg.mzML 0.0 0 591.3870639236575 37.90055 12011 DG16_Neg.mzML 0.0 0 540.3318310505799 38.007168 12039 DG16_Neg.mzML 876426.6 0 699.3813100971544 38.017475 12043 DG16_Neg.mzML 806210.5 0 653.3741365649333 38.020172 12044 DG16_Neg.mzML 482261.4 0 689.3510119526898 38.020172 12065 DG16_Neg.mzML 0.0 0 255.19656471702723 38.048782 12075 DG16_Neg.mzML 0.0 0 285.2071022004708 38.048782 12076 DG16_Neg.mzML 336684.5 0 315.25322685248136 38.057922 12121 DG16_Neg.mzML 0.0 0 293.19495058185345 38.129566 12123 DG16_Neg.mzML 2913366.8 0 293.2106111514739 38.13247 12133 DG16_Neg.mzML 104321.23 0 609.4099114740752 38.144867 12144 DG16_Neg.mzML 0.0 0 460.3272125181774 38.1733 12146 DG16_Neg.mzML 279080.56 0 361.19852419596873 38.151592 12155 DG16_Neg.mzML 0.0 0 591.3888448573481 38.158318 12169 DG16_Neg.mzML 323909.94 0 417.299698431966 38.18305 12193 DG16_Neg.mzML 0.0 0 313.2369440719092 38.218266 12229 DG16_Neg.mzML 149354.44 0 530.3014612299772 38.291218 12230 DG16_Neg.mzML 1173343.2 0 540.3297335507594 38.291218 12232 DG16_Neg.mzML 140602.55 0 608.3175476075553 38.299065 12310 DG16_Neg.mzML 249403.22 0 679.3911091748953 38.422447 12312 DG16_Neg.mzML 253944.53 0 725.3964169065707 38.422447 12352 DG16_Neg.mzML 0.0 0 293.2105897989631 38.507 12366 DG16_Neg.mzML 0.0 0 271.2266928021555 38.516758 12371 DG16_Neg.mzML 213982.47 0 405.2742490754071 38.5303 12437 DG16_Neg.mzML 0.0 0 311.2221957574548 38.6263 12451 DG16_Neg.mzML 745921.9 0 329.1883705116985 38.64685 12452 DG16_Neg.mzML 189404.11 0 293.21051076878825 38.64685 12469 DG16_Neg.mzML 0.0 0 577.2692343702805 38.66355 12479 DG16_Neg.mzML 0.0 0 687.5747741941291 38.66655 12490 DG16_Neg.mzML 0.0 0 556.3192741726383 38.700565 12491 DG16_Neg.mzML 446288.94 0 566.3462074536867 38.692215 12517 DG16_Neg.mzML 101208.61 0 579.3380710887553 38.761234 12611 DG16_Neg.mzML 2012773.0 0 295.226760510906 38.8217 12612 DG16_Neg.mzML 232440.14 0 363.2150485277996 38.80985 12619 DG16_Neg.mzML 0.0 0 221.15326069143487 38.8454 12639 DG16_Neg.mzML 0.0 0 479.27915340594046 38.887985 12641 DG16_Neg.mzML 106988.98 0 551.3008911906898 38.84989 12642 DG16_Neg.mzML 283241.72 0 561.3276408489139 38.84989 12707 DG16_Neg.mzML 126210.34 0 353.194620032906 38.959316 12738 DG16_Neg.mzML 0.0 0 856.6494321518561 38.983868 12744 DG16_Neg.mzML 108727.01 0 967.562497009284 39.010483 12780 DG16_Neg.mzML 116199.42 0 579.3382284272018 39.04188 12810 DG16_Neg.mzML 0.0 0 633.3382644347303 39.0771 12820 DG16_Neg.mzML 0.0 0 495.2531291803164 39.098415 12834 DG16_Neg.mzML 293255.97 0 243.1956513133338 39.100513 12843 DG16_Neg.mzML 0.0 0 297.2426690290107 39.13695 12845 DG16_Neg.mzML 128723.36 0 879.4957458238846 39.121483 12863 DG16_Neg.mzML 174510.98 0 293.21061247495345 39.160885 12873 DG16_Neg.mzML 0.0 0 565.3498727837602 39.164165 12883 DG16_Neg.mzML 0.0 0 577.2691371388241 39.176716 12922 DG16_Neg.mzML 0.0 0 497.3626674769655 39.21116 12926 DG16_Neg.mzML 0.0 0 401.2193125736822 39.217117 12952 DG16_Neg.mzML 108790.99 0 707.4565493984873 39.241318 12997 DG16_Neg.mzML 0.0 0 565.3507573450827 39.298115 13012 DG16_Neg.mzML 314964.72 0 293.2109766977711 39.31186 13015 DG16_Neg.mzML 0.0 0 942.6991293121893 39.330635 13023 DG16_Neg.mzML 0.0 0 311.22182511911444 39.330635 13034 DG16_Neg.mzML 0.0 0 507.29625923866337 39.33605 13088 DG16_Neg.mzML 147718.97 0 297.2425855999237 39.41601 13103 DG16_Neg.mzML 0.0 0 687.5757606016472 39.455433 13111 DG16_Neg.mzML 79658.27 0 479.2796395635757 39.453083 13116 DG16_Neg.mzML 106365.945 0 407.2909446172041 39.453083 13152 DG16_Neg.mzML 463420.44 0 527.2880417088691 39.51908 13157 DG16_Neg.mzML 131755.66 0 456.2546584885868 39.532333 13158 DG16_Neg.mzML 234855.58 0 466.2824115099664 39.532333 13160 DG16_Neg.mzML 115973.305 0 595.276145494463 39.532333 13163 DG16_Neg.mzML 80550.27 0 331.2035990189308 39.532333 13165 DG16_Neg.mzML 0.0 0 428.3021160562859 39.543266 13224 DG16_Neg.mzML 90340.93 0 362.2689146393427 39.609417 13234 DG16_Neg.mzML 0.0 0 577.2698914748072 39.62615 13260 DG16_Neg.mzML 0.0 0 297.2431529974872 39.627205 13261 DG16_Neg.mzML 78180.88 0 365.2310290481379 39.639366 13264 DG16_Neg.mzML 0.0 0 433.2200719770767 39.628265 13330 DG16_Neg.mzML 0.0 0 617.3856825623724 39.7063 13343 DG16_Neg.mzML 160776.1 0 293.20995681240186 39.73225 13361 DG16_Neg.mzML 500434.97 0 537.3275877187647 39.74565 13368 DG16_Neg.mzML 0.0 0 687.5775288750147 39.7592 13374 DG16_Neg.mzML 173962.98 0 823.4700804957992 39.77106 13386 DG16_Neg.mzML 0.0 0 323.22179611528946 39.80142 13396 DG16_Neg.mzML 178442.86 0 243.1958110991209 39.810417 13401 DG16_Neg.mzML 173045.39 0 426.2852359925779 39.85005 13419 DG16_Neg.mzML 0.0 0 410.3262256053663 39.8878 13425 DG16_Neg.mzML 157783.8 0 406.2619699419129 39.8893 13447 DG16_Neg.mzML 0.0 0 967.7430740680832 39.9026 13460 DG16_Neg.mzML 0.0 0 269.2111277043415 39.936382 13461 DG16_Neg.mzML 132147.14 0 727.4143101002873 39.93589 13466 DG16_Neg.mzML 0.0 0 479.27978047315946 39.98515 13496 DG16_Neg.mzML 0.0 0 397.3328848936912 39.981316 13500 DG16_Neg.mzML 0.0 0 570.5102404413517 39.981316 13501 DG16_Neg.mzML 0.0 0 606.4865204590109 39.981316 3 DG22_Neg.mzML 22038.504 0 102.9567509451892 0.057033334 4 DG22_Neg.mzML 0.0 0 164.92672908658517 0.080516666 6 DG22_Neg.mzML 14318.794 0 242.94315127836848 0.106866665 8 DG22_Neg.mzML 50499.516 0 174.95515876338052 0.21258333 10 DG22_Neg.mzML 16059.395 0 134.86502954570736 0.33723333 11 DG22_Neg.mzML 25256.092 0 164.92684841873526 0.33723333 12 DG22_Neg.mzML 0.0 0 255.8212103738272 0.44343334 14 DG22_Neg.mzML 0.0 0 102.95679574933274 0.44343334 15 DG22_Neg.mzML 13867.77 0 242.9425514265742 0.48636666 17 DG22_Neg.mzML 0.0 0 174.9549929852028 0.56815 18 DG22_Neg.mzML 0.0 0 164.9265290260242 0.6346 21 DG22_Neg.mzML 21994.982 0 102.95669714993691 0.71888334 24 DG22_Neg.mzML 0.0 0 164.92651486575662 0.8182 25 DG22_Neg.mzML 47867.74 0 174.95476491254738 0.8283917 27 DG22_Neg.mzML 0.0 0 255.82166062303108 0.85733336 28 DG22_Neg.mzML 13814.688 0 242.94270710663625 1.0209334 42 DG22_Neg.mzML 832670.8 0 272.9576953884091 1.1536334 49 DG22_Neg.mzML 401505.03 0 158.97738539997613 1.1788722 50 DG22_Neg.mzML 0.0 0 226.9643775532686 1.1516334 57 DG22_Neg.mzML 0.0 0 322.1133667379883 1.1793333 113 DG22_Neg.mzML 0.0 0 232.08135647177505 1.2175833 154 DG22_Neg.mzML 0.0 0 280.9064083120511 1.2733 199 DG22_Neg.mzML 184274.9 0 326.9009987364341 1.31955 218 DG22_Neg.mzML 407287.4 0 128.95902957283622 1.3341278 219 DG22_Neg.mzML 207007.69 0 296.8808599993093 1.3341278 220 DG22_Neg.mzML 0.0 0 380.8410906258793 1.34995 270 DG22_Neg.mzML 397162.66 0 216.0865670682372 1.4326667 290 DG22_Neg.mzML 1046952.4 0 170.08116294188977 1.4692333 323 DG22_Neg.mzML 0.0 0 471.0733688479993 1.5006167 382 DG22_Neg.mzML 0.0 0 322.1147187473182 1.4831333 392 DG22_Neg.mzML 814761.0 0 239.0776433098742 1.5575583 393 DG22_Neg.mzML 2814790.5 0 387.11414429466186 1.53275 413 DG22_Neg.mzML 1902651.6 0 341.1091243835329 1.5450388 430 DG22_Neg.mzML 0.0 0 278.1253263602286 1.5554167 522 DG22_Neg.mzML 0.0 0 292.1412018952949 1.5554167 548 DG22_Neg.mzML 1480046.6 0 177.07634529718433 1.61335 640 DG22_Neg.mzML 0.0 0 290.08915719629806 1.6624 694 DG22_Neg.mzML 0.0 0 133.01540560538447 1.68355 746 DG22_Neg.mzML 0.0 0 618.2285222985394 1.698 803 DG22_Neg.mzML 601554.94 0 135.03041180383136 1.7565334 809 DG22_Neg.mzML 0.0 0 429.0703462095502 1.758 812 DG22_Neg.mzML 0.0 0 209.06798929580447 1.758 818 DG22_Neg.mzML 3441563.8 0 533.1749982581882 1.7927166 819 DG22_Neg.mzML 2867601.5 0 165.0411091334315 1.78575 826 DG22_Neg.mzML 442448.88 0 179.05681439148083 1.82885 827 DG22_Neg.mzML 3157643.2 0 191.0563511523059 1.799625 843 DG22_Neg.mzML 0.0 0 699.224903071726 1.8198667 846 DG22_Neg.mzML 655155.94 0 195.0515000310254 1.8228611 905 DG22_Neg.mzML 0.0 0 115.0056782876462 1.91005 917 DG22_Neg.mzML 1277907.0 0 133.01504339631828 1.910175 941 DG22_Neg.mzML 0.0 0 794.2600182543151 1.9185 945 DG22_Neg.mzML 0.0 0 267.0738332757238 1.95575 946 DG22_Neg.mzML 1288299.1 0 377.0888908773292 1.9224167 961 DG22_Neg.mzML 0.0 0 439.0908563836838 1.91005 997 DG22_Neg.mzML 0.0 0 215.0336793267746 1.9923167 1033 DG22_Neg.mzML 419620.38 0 366.1353342363912 2.0488167 1099 DG22_Neg.mzML 0.0 0 200.0575271274897 2.0648334 1104 DG22_Neg.mzML 0.0 0 405.152910124191 2.0648334 1108 DG22_Neg.mzML 667967.56 0 290.089947132568 2.0804777 1110 DG22_Neg.mzML 2930206.0 0 339.1312968292781 2.0845168 1134 DG22_Neg.mzML 0.0 0 133.01532825694477 2.0920832 1230 DG22_Neg.mzML 3068319.8 0 191.0207133583248 2.1241167 1245 DG22_Neg.mzML 8994425.0 0 177.07673164509933 2.1284165 1420 DG22_Neg.mzML 1365184.9 0 197.0459634483982 2.2506418 1431 DG22_Neg.mzML 0.0 0 515.1447095761437 2.2454166 1432 DG22_Neg.mzML 1066166.1 0 448.1774094975533 2.22885 1452 DG22_Neg.mzML 0.0 0 103.00551150090584 2.30995 1483 DG22_Neg.mzML 0.0 0 479.1224386314688 2.2833166 1512 DG22_Neg.mzML 0.0 0 295.02617183908734 2.30995 1527 DG22_Neg.mzML 0.0 0 232.08428929624463 2.30995 1528 DG22_Neg.mzML 0.0 0 377.0892377454575 2.3206666 1622 DG22_Neg.mzML 2539281.0 0 450.1922169580604 2.3720334 1671 DG22_Neg.mzML 365697.94 0 323.13674643639456 2.4075668 1702 DG22_Neg.mzML 0.0 0 215.03364418048525 2.4326832 1718 DG22_Neg.mzML 0.0 0 315.0756838120277 2.5004 1740 DG22_Neg.mzML 0.0 0 385.11611945143386 2.472 1746 DG22_Neg.mzML 4428036.0 0 353.08949614810695 2.4763083 1856 DG22_Neg.mzML 0.0 0 290.0893989430238 2.5486667 1882 DG22_Neg.mzML 453828.2 0 437.1255841190777 2.5551167 1928 DG22_Neg.mzML 901922.94 0 553.2104565274899 2.5916667 1968 DG22_Neg.mzML 695819.25 0 161.08279745788388 2.6642168 2029 DG22_Neg.mzML 4225913.5 0 219.0879893075484 2.7380166 2033 DG22_Neg.mzML 0.0 0 195.81132024426088 2.7348666 2104 DG22_Neg.mzML 0.0 0 421.1640021664064 2.7747166 2127 DG22_Neg.mzML 1394199.0 0 707.1844127193456 2.8111832 2138 DG22_Neg.mzML 0.0 0 411.049196860193 2.8544667 2194 DG22_Neg.mzML 1054277.5 0 191.05658268360483 2.9230332 2214 DG22_Neg.mzML 0.0 0 705.1700263675883 2.9275334 2215 DG22_Neg.mzML 0.0 0 707.1845653785455 2.9275334 2228 DG22_Neg.mzML 568990.56 0 351.07374688844425 2.9592085 2229 DG22_Neg.mzML 9813914.0 0 353.0881766513112 2.9592085 2252 DG22_Neg.mzML 0.0 0 727.1525032617407 2.9653666 2253 DG22_Neg.mzML 0.0 0 729.1677209713826 2.9653666 2319 DG22_Neg.mzML 0.0 0 215.03391212751532 3.1212666 2334 DG22_Neg.mzML 0.0 0 411.048417203038 3.1212666 2354 DG22_Neg.mzML 2853054.0 0 490.1859424301567 3.1728 2363 DG22_Neg.mzML 0.0 0 351.0745081087651 3.1977832 2364 DG22_Neg.mzML 0.0 0 353.0881410821196 3.1977832 2376 DG22_Neg.mzML 0.0 0 707.1836779029029 3.1977832 2397 DG22_Neg.mzML 0.0 0 195.8105053375688 3.2732 2423 DG22_Neg.mzML 0.0 0 290.09069998323275 3.3917 2435 DG22_Neg.mzML 0.0 0 191.05570962399017 3.433 2449 DG22_Neg.mzML 1148628.0 0 353.08952990521385 3.46555 2473 DG22_Neg.mzML 0.0 0 351.07576107605297 3.5471666 2482 DG22_Neg.mzML 0.0 0 154.08687807123627 3.5471666 2498 DG22_Neg.mzML 0.0 0 137.022273343035 3.611425 2540 DG22_Neg.mzML 439068.75 0 429.15523031518575 3.6505666 2632 DG22_Neg.mzML 470564.97 0 219.08689738002747 3.76145 2646 DG22_Neg.mzML 433585.03 0 502.2292442429328 3.76145 2702 DG22_Neg.mzML 0.0 0 179.0288888800202 3.8618166 2729 DG22_Neg.mzML 0.0 0 365.1799062535359 3.8735332 2745 DG22_Neg.mzML 0.0 0 137.02203055603036 3.9062834 2764 DG22_Neg.mzML 0.0 0 246.09162656655047 3.9374666 2779 DG22_Neg.mzML 1097874.2 0 397.11718053321226 3.9469166 2798 DG22_Neg.mzML 0.0 0 177.01652122846343 3.9828 2805 DG22_Neg.mzML 0.0 0 337.0915596725163 3.9905 2860 DG22_Neg.mzML 0.0 0 158.07934808370027 4.0929 2880 DG22_Neg.mzML 399090.84 0 311.07713876414766 4.1329665 2903 DG22_Neg.mzML 132446.92 0 429.15348280184537 4.17075 2908 DG22_Neg.mzML 159861.44 0 492.1995309104438 4.17075 2920 DG22_Neg.mzML 0.0 0 397.1158083185669 4.1846666 2923 DG22_Neg.mzML 0.0 0 365.1797048864688 4.14455 2932 DG22_Neg.mzML 0.0 0 131.0708652887759 4.3012834 2936 DG22_Neg.mzML 0.0 0 246.0949273962716 4.2174335 2940 DG22_Neg.mzML 0.0 0 303.89299267903 4.25935 2959 DG22_Neg.mzML 941369.94 0 179.03337169222468 4.2579226 2993 DG22_Neg.mzML 0.0 0 230.0999366790276 4.302233 2995 DG22_Neg.mzML 460448.53 0 367.10333766523775 4.3296337 3045 DG22_Neg.mzML 0.0 0 335.0754956022755 4.4629083 3055 DG22_Neg.mzML 0.0 0 136.07628906597364 4.4579334 3057 DG22_Neg.mzML 322766.22 0 161.08075152835886 4.4802833 3061 DG22_Neg.mzML 0.0 0 212.09141105989443 4.4966664 3095 DG22_Neg.mzML 0.0 0 175.09490575046877 4.5530167 3113 DG22_Neg.mzML 1523738.6 0 337.09221298967753 4.564892 3136 DG22_Neg.mzML 0.0 0 379.1044943182807 4.617 3137 DG22_Neg.mzML 115914.36 0 377.08835386133137 4.6143503 3160 DG22_Neg.mzML 0.0 0 172.09620556839906 4.6292 3161 DG22_Neg.mzML 517818.44 0 311.0754918813472 4.657217 3174 DG22_Neg.mzML 0.0 0 230.1009837607366 4.68295 3179 DG22_Neg.mzML 696354.25 0 411.1324849164049 4.7043333 3180 DG22_Neg.mzML 123573.07 0 381.1220184290784 4.7056665 3225 DG22_Neg.mzML 0.0 0 188.0352434366336 4.8200836 3226 DG22_Neg.mzML 312472.12 0 161.08100607695954 4.82335 3248 DG22_Neg.mzML 215721.11 0 203.09146684846104 4.864033 3253 DG22_Neg.mzML 99324.19 0 521.201153719686 4.864033 3278 DG22_Neg.mzML 0.0 0 381.12075139141865 4.9467835 3296 DG22_Neg.mzML 0.0 0 239.08910073161772 4.9936 3298 DG22_Neg.mzML 999226.2 0 367.1038213849688 5.021283 3310 DG22_Neg.mzML 0.0 0 121.0290594593065 5.0401 3322 DG22_Neg.mzML 0.0 0 503.2228494546129 5.075967 3323 DG22_Neg.mzML 0.0 0 513.2516482599715 5.075967 3330 DG22_Neg.mzML 204429.94 0 203.09151509254391 5.0998335 3370 DG22_Neg.mzML 0.0 0 153.01832959659984 5.1738167 3376 DG22_Neg.mzML 0.0 0 188.03599409787765 5.2204165 3387 DG22_Neg.mzML 0.0 0 366.1171577499664 5.2686334 3391 DG22_Neg.mzML 136286.48 0 381.12188720443214 5.29315 3394 DG22_Neg.mzML 505746.7 0 411.1323459693694 5.311533 3400 DG22_Neg.mzML 358707.47 0 363.1468509774164 5.3335166 3421 DG22_Neg.mzML 74521.62 0 567.2094730186775 5.4156666 3427 DG22_Neg.mzML 0.0 0 165.01816762125 5.4162664 3428 DG22_Neg.mzML 0.0 0 121.0288924945138 5.4162664 3429 DG22_Neg.mzML 0.0 0 367.10245170108726 5.4561334 3440 DG22_Neg.mzML 0.0 0 363.14614170784034 5.4955335 3454 DG22_Neg.mzML 91288.05 0 565.1933132217255 5.5406666 3470 DG22_Neg.mzML 0.0 0 337.092056411906 5.62285 3490 DG22_Neg.mzML 0.0 0 173.0803807016406 5.68735 3522 DG22_Neg.mzML 64995.34 0 203.0911553246677 5.7846 3527 DG22_Neg.mzML 0.0 0 345.1527135980564 5.8084 3531 DG22_Neg.mzML 0.0 0 595.1691776172034 5.8084 3578 DG22_Neg.mzML 0.0 0 143.07039899142404 6.05855 3583 DG22_Neg.mzML 334332.94 0 363.146750471933 6.0813 3594 DG22_Neg.mzML 122008.55 0 167.03444219314326 6.105255 3601 DG22_Neg.mzML 0.0 0 173.08021333963987 6.134733 3606 DG22_Neg.mzML 0.0 0 363.1457068979871 6.1831 3618 DG22_Neg.mzML 0.0 0 617.1966483721759 6.2222333 3624 DG22_Neg.mzML 0.0 0 595.1667849523443 6.27265 3625 DG22_Neg.mzML 96852.96 0 371.0767963176903 6.2744393 3638 DG22_Neg.mzML 0.0 0 309.0963224952004 6.3176584 3648 DG22_Neg.mzML 133472.48 0 167.03391482893443 6.3606334 3657 DG22_Neg.mzML 0.0 0 557.1756039048771 6.405383 3670 DG22_Neg.mzML 189711.7 0 521.2013280097731 6.443683 3688 DG22_Neg.mzML 466038.78 0 557.1770689480131 6.5221667 3689 DG22_Neg.mzML 0.0 0 609.143839505109 6.5350833 3703 DG22_Neg.mzML 233797.33 0 567.2083328209328 6.5997834 3711 DG22_Neg.mzML 0.0 0 211.024177194864 6.62765 3718 DG22_Neg.mzML 226736.03 0 167.03372921624745 6.6724834 3722 DG22_Neg.mzML 202246.2 0 537.2082917297138 6.676717 3725 DG22_Neg.mzML 163972.55 0 547.2392872574025 6.717167 3735 DG22_Neg.mzML 80140.31 0 439.1279727107519 6.7552333 3746 DG22_Neg.mzML 384396.97 0 565.1930882743895 6.8353 3754 DG22_Neg.mzML 0.0 0 569.2346589742798 6.8647666 3760 DG22_Neg.mzML 375945.03 0 555.1642537307556 6.8749833 3762 DG22_Neg.mzML 93259.01 0 413.1454188949238 6.9171834 3778 DG22_Neg.mzML 0.0 0 587.1886308171237 6.95075 3789 DG22_Neg.mzML 0.0 0 537.1027011962802 6.993933 3799 DG22_Neg.mzML 0.0 0 163.0388146677241 7.0368667 3801 DG22_Neg.mzML 146119.7 0 363.1470948018672 7.0393167 3822 DG22_Neg.mzML 0.0 0 587.1860289567087 7.16715 3831 DG22_Neg.mzML 0.0 0 551.2121809412316 7.1694665 3834 DG22_Neg.mzML 0.0 0 174.0544836221497 7.210533 3843 DG22_Neg.mzML 0.0 0 537.1028534148953 7.2101665 3844 DG22_Neg.mzML 0.0 0 569.2350462035936 7.2101665 3863 DG22_Neg.mzML 101737.57 0 163.03874176621957 7.3330336 3883 DG22_Neg.mzML 0.0 0 609.1447046395756 7.3795166 3909 DG22_Neg.mzML 143555.5 0 785.2504094857962 7.495 3925 DG22_Neg.mzML 0.0 0 625.139928255315 7.53845 3931 DG22_Neg.mzML 0.0 0 477.1246778194632 7.58075 3938 DG22_Neg.mzML 0.0 0 569.2361055861566 7.623 3940 DG22_Neg.mzML 0.0 0 369.1440711196251 7.63725 3941 DG22_Neg.mzML 0.0 0 525.1020141760074 7.63725 3945 DG22_Neg.mzML 125901.3 0 395.1378587505287 7.6640835 3963 DG22_Neg.mzML 0.0 0 533.2591128410654 7.7089667 3967 DG22_Neg.mzML 0.0 0 581.2201611354795 7.757467 3968 DG22_Neg.mzML 166646.7 0 413.1453039109616 7.7467165 3977 DG22_Neg.mzML 0.0 0 174.05466764689578 7.757467 3978 DG22_Neg.mzML 172754.28 0 163.0389977132467 7.7778945 3991 DG22_Neg.mzML 0.0 0 617.1973915935637 7.7977834 3997 DG22_Neg.mzML 0.0 0 721.1971939829808 7.828417 4020 DG22_Neg.mzML 73402.23 0 617.2005640805664 7.9096165 4022 DG22_Neg.mzML 0.0 0 651.1093665303861 7.915983 4023 DG22_Neg.mzML 0.0 0 661.1367444421619 7.915983 4042 DG22_Neg.mzML 0.0 0 324.05346210623384 7.9610167 4043 DG22_Neg.mzML 0.0 0 721.194203731545 7.9610167 4058 DG22_Neg.mzML 0.0 0 363.1469410727651 8.03235 4067 DG22_Neg.mzML 0.0 0 405.1653735481514 8.093634 4076 DG22_Neg.mzML 197203.33 0 539.2227214470597 8.15445 4078 DG22_Neg.mzML 160582.53 0 549.2541155967807 8.15445 4089 DG22_Neg.mzML 0.0 0 551.2081425430645 8.191116 4096 DG22_Neg.mzML 297543.75 0 755.2393413639733 8.196716 4099 DG22_Neg.mzML 0.0 0 651.1065794881372 8.206833 4108 DG22_Neg.mzML 0.0 0 593.1486997711334 8.250633 4110 DG22_Neg.mzML 0.0 0 661.1346569559385 8.250633 4117 DG22_Neg.mzML 117442.195 0 756.2425434313994 8.281183 4136 DG22_Neg.mzML 0.0 0 607.1293083012567 8.387983 4153 DG22_Neg.mzML 0.0 0 653.1080510404753 8.479716 4156 DG22_Neg.mzML 124292.945 0 395.136946540212 8.503767 4161 DG22_Neg.mzML 60039.97 0 339.0503850821456 8.523467 4173 DG22_Neg.mzML 0.0 0 651.1062573273746 8.567033 4201 DG22_Neg.mzML 0.0 0 607.1267725623109 8.713249 4211 DG22_Neg.mzML 0.0 0 595.1389286859406 8.75905 4214 DG22_Neg.mzML 373186.72 0 537.1030973797673 8.770333 4221 DG22_Neg.mzML 0.0 0 661.1340906840901 8.80155 4237 DG22_Neg.mzML 71757.61 0 339.0507976611167 8.847883 4239 DG22_Neg.mzML 272957.38 0 539.2244843755054 8.847883 4244 DG22_Neg.mzML 261279.67 0 549.2543745939425 8.889566 4260 DG22_Neg.mzML 47433.723 0 587.1893011881049 8.979767 4269 DG22_Neg.mzML 0.0 0 487.0670208260712 8.983033 4280 DG22_Neg.mzML 0.0 0 551.2134530534543 9.067083 4291 DG22_Neg.mzML 0.0 0 587.1869428793788 9.139334 4293 DG22_Neg.mzML 80406.59 0 667.1046860194383 9.145567 4296 DG22_Neg.mzML 0.0 0 591.1354378313945 9.15155 4299 DG22_Neg.mzML 0.0 0 589.184763607837 9.177366 4300 DG22_Neg.mzML 0.0 0 551.2103103609362 9.177366 4313 DG22_Neg.mzML 0.0 0 350.12298947444884 9.216634 4319 DG22_Neg.mzML 0.0 0 593.1488063224418 9.24555 4337 DG22_Neg.mzML 5502382.0 0 609.1447118423112 9.343275 4339 DG22_Neg.mzML 97851.31 0 395.13726010021264 9.3792 4366 DG22_Neg.mzML 0.0 0 661.1364476380811 9.519 4384 DG22_Neg.mzML 102418.72 0 489.0808756021892 9.585167 4396 DG22_Neg.mzML 0.0 0 487.0654901161592 9.614742 4406 DG22_Neg.mzML 159866.72 0 339.0499860785471 9.627708 4410 DG22_Neg.mzML 0.0 0 491.0964693709005 9.656708 4411 DG22_Neg.mzML 910456.4 0 537.1022230366549 9.660389 4412 DG22_Neg.mzML 0.0 0 635.0697461946498 9.6679 4439 DG22_Neg.mzML 0.0 0 661.1330699047221 9.72115 4444 DG22_Neg.mzML 0.0 0 521.1997593504691 9.745383 4445 DG22_Neg.mzML 0.0 0 557.1772960587012 9.745383 4449 DG22_Neg.mzML 364553.84 0 623.1963458393867 9.746384 4477 DG22_Neg.mzML 71080.01 0 521.2002264943351 9.856617 4484 DG22_Neg.mzML 107068.414 0 677.1280531093555 9.8677 4491 DG22_Neg.mzML 0.0 0 651.1061644859938 9.886617 4499 DG22_Neg.mzML 0.0 0 557.1764330236751 9.927667 4526 DG22_Neg.mzML 9258036.0 0 609.1433608323669 10.071466 4531 DG22_Neg.mzML 0.0 0 181.0121562160156 10.132283 4532 DG22_Neg.mzML 0.0 0 350.1226532127204 10.132283 4536 DG22_Neg.mzML 64175.805 0 607.1272124185367 10.150567 4551 DG22_Neg.mzML 0.0 0 609.1435675253407 10.214566 4557 DG22_Neg.mzML 144866.48 0 677.1268739556579 10.232683 4566 DG22_Neg.mzML 128537.33 0 667.102711393009 10.2703 4574 DG22_Neg.mzML 0.0 0 407.1819820209384 10.345966 4604 DG22_Neg.mzML 0.0 0 417.2100513738445 10.476367 4626 DG22_Neg.mzML 0.0 0 255.8208133748849 10.58875 4641 DG22_Neg.mzML 0.0 0 483.0681872328611 10.684317 4643 DG22_Neg.mzML 0.0 0 510.0871050364746 10.684317 4644 DG22_Neg.mzML 0.0 0 515.0783569736238 10.684317 4647 DG22_Neg.mzML 0.0 0 369.14514882428944 10.689016 4652 DG22_Neg.mzML 45322.84 0 261.1330136959865 10.719358 4658 DG22_Neg.mzML 0.0 0 896.1926255540367 10.72685 4660 DG22_Neg.mzML 0.0 0 255.821265111655 10.736716 4674 DG22_Neg.mzML 0.0 0 895.189569159968 10.80625 4680 DG22_Neg.mzML 42362.094 0 407.1786110799649 10.837733 4687 DG22_Neg.mzML 0.0 0 505.0511748713864 10.843984 4690 DG22_Neg.mzML 0.0 0 369.1444306539172 10.826467 4701 DG22_Neg.mzML 137554.83 0 555.1629691354218 10.9188 4703 DG22_Neg.mzML 0.0 0 417.2105707777857 10.961866 4705 DG22_Neg.mzML 0.0 0 510.0869537421452 10.922267 4710 DG22_Neg.mzML 0.0 0 255.82051580990543 10.923567 4716 DG22_Neg.mzML 0.0 0 195.80925469926308 10.970233 4717 DG22_Neg.mzML 0.0 0 197.8063645284512 10.970233 4725 DG22_Neg.mzML 81654.49 0 391.10293505937193 11.009983 4728 DG22_Neg.mzML 0.0 0 144.0443516420476 11.016434 4729 DG22_Neg.mzML 0.0 0 305.1051854485231 11.016434 4735 DG22_Neg.mzML 53817.31 0 407.1817511641921 11.048625 4742 DG22_Neg.mzML 0.0 0 417.2087742790121 11.04595 4748 DG22_Neg.mzML 75708.78 0 391.10282305768254 11.135616 4757 DG22_Neg.mzML 71123.81 0 144.0446043636481 11.135616 4770 DG22_Neg.mzML 94261.28 0 347.1509479608018 11.220966 4773 DG22_Neg.mzML 83730.85 0 615.1551102435195 11.220966 4777 DG22_Neg.mzML 0.0 0 809.2452487281954 11.250167 4785 DG22_Neg.mzML 0.0 0 224.09127154423123 11.291083 4819 DG22_Neg.mzML 0.0 0 305.10532757108945 11.4819 4824 DG22_Neg.mzML 123054.84 0 809.2474120765353 11.513984 4826 DG22_Neg.mzML 0.0 0 505.0497361204429 11.524917 4827 DG22_Neg.mzML 0.0 0 510.0862125899871 11.524917 4834 DG22_Neg.mzML 68098.766 0 579.1774267008709 11.556983 4843 DG22_Neg.mzML 154073.03 0 463.0874650559268 11.585899 4848 DG22_Neg.mzML 0.0 0 447.0903434624061 11.6044 4850 DG22_Neg.mzML 0.0 0 483.0674153641432 11.6044 4853 DG22_Neg.mzML 0.0 0 515.0772292362906 11.6044 4855 DG22_Neg.mzML 0.0 0 895.1878205531706 11.6044 4856 DG22_Neg.mzML 0.0 0 896.191338207239 11.6044 4869 DG22_Neg.mzML 0.0 0 505.0495584944893 11.678683 4890 DG22_Neg.mzML 143735.53 0 144.04448137581463 11.749458 4915 DG22_Neg.mzML 0.0 0 195.02907952455243 11.85875 4926 DG22_Neg.mzML 0.0 0 305.1051884911869 11.939317 4948 DG22_Neg.mzML 0.0 0 369.1447787083269 12.0237665 4950 DG22_Neg.mzML 0.0 0 463.0876120928695 12.0237665 4951 DG22_Neg.mzML 0.0 0 555.1632139502796 12.0237665 4952 DG22_Neg.mzML 0.0 0 160.03902595469427 12.0237665 4965 DG22_Neg.mzML 98451.22 0 369.14442964149794 12.1565 4971 DG22_Neg.mzML 151623.44 0 391.1018221056387 12.196 4980 DG22_Neg.mzML 343610.97 0 463.08734329835374 12.2396755 4986 DG22_Neg.mzML 89792.375 0 785.2477345091798 12.2406 4994 DG22_Neg.mzML 118654.67 0 347.1510137455229 12.321533 4995 DG22_Neg.mzML 0.0 0 305.1049882278373 12.329 5006 DG22_Neg.mzML 0.0 0 455.1027725235817 12.4264 5014 DG22_Neg.mzML 0.0 0 353.150229882478 12.469717 5017 DG22_Neg.mzML 0.0 0 313.1165352916661 12.4963 5019 DG22_Neg.mzML 0.0 0 389.1272756181787 12.510834 5027 DG22_Neg.mzML 129182.44 0 391.10269405709386 12.527583 5031 DG22_Neg.mzML 0.0 0 799.1876730161651 12.553017 5039 DG22_Neg.mzML 216543.88 0 579.1705875346875 12.6097 5040 DG22_Neg.mzML 241390.81 0 615.1473741078573 12.6097 5051 DG22_Neg.mzML 0.0 0 521.1279085122769 12.6878 5055 DG22_Neg.mzML 0.0 0 231.1223387367389 12.7383 5056 DG22_Neg.mzML 125566.62 0 493.14742162308863 12.778383 5068 DG22_Neg.mzML 0.0 0 745.3005053884788 12.79245 5075 DG22_Neg.mzML 194283.03 0 755.2382150088442 12.8188 5079 DG22_Neg.mzML 135901.17 0 521.1300372005411 12.870583 5099 DG22_Neg.mzML 65350.84 0 799.2637945701301 13.02965 5117 DG22_Neg.mzML 146468.48 0 151.03897069356475 13.24105 5119 DG22_Neg.mzML 134160.39 0 615.2757534221198 13.197917 5137 DG22_Neg.mzML 0.0 0 733.1948111380625 13.28635 5138 DG22_Neg.mzML 0.0 0 763.2042314191028 13.28635 5141 DG22_Neg.mzML 0.0 0 187.09644877496004 13.322383 5145 DG22_Neg.mzML 0.0 0 313.1171166975939 13.33395 5149 DG22_Neg.mzML 0.0 0 555.163806821713 13.367084 5154 DG22_Neg.mzML 0.0 0 383.16118287405294 13.406266 5158 DG22_Neg.mzML 69090.24 0 405.1592597617168 13.40705 5163 DG22_Neg.mzML 0.0 0 733.1980349792087 13.445316 5168 DG22_Neg.mzML 78204.125 0 287.1488034912687 13.4464 5182 DG22_Neg.mzML 0.0 0 187.09572475446444 13.499984 5186 DG22_Neg.mzML 410224.34 0 623.1964297004776 13.5320835 5191 DG22_Neg.mzML 0.0 0 763.2028453950617 13.539884 5199 DG22_Neg.mzML 0.0 0 527.1345112900133 13.568817 5217 DG22_Neg.mzML 0.0 0 764.2116812695274 13.650217 5218 DG22_Neg.mzML 0.0 0 831.1945946440238 13.650217 5220 DG22_Neg.mzML 48445.117 0 769.2539253874838 13.622967 5226 DG22_Neg.mzML 0.0 0 763.2086813711807 13.650217 5238 DG22_Neg.mzML 0.0 0 799.184977632253 13.6932 5260 DG22_Neg.mzML 235293.12 0 187.0963094886678 13.861495 5266 DG22_Neg.mzML 131077.56 0 799.2637795304372 13.86995 5286 DG22_Neg.mzML 0.0 0 691.1853513733922 14.014883 5288 DG22_Neg.mzML 0.0 0 521.1299632906804 14.0296 5289 DG22_Neg.mzML 0.0 0 193.04903729380885 14.037633 5313 DG22_Neg.mzML 182529.69 0 521.1295670239804 14.1717 5316 DG22_Neg.mzML 110724.33 0 585.2664259433675 14.1717 5327 DG22_Neg.mzML 62185.727 0 595.2948096989343 14.2135 5328 DG22_Neg.mzML 0.0 0 361.1006400373482 14.2128 5335 DG22_Neg.mzML 99528.0 0 405.15821285542665 14.255983 5340 DG22_Neg.mzML 80327.93 0 835.2395787579052 14.255983 5346 DG22_Neg.mzML 0.0 0 347.0327768638324 14.309116 5349 DG22_Neg.mzML 496106.62 0 799.2643362180626 14.2975 5350 DG22_Neg.mzML 207722.42 0 800.2673452929367 14.2975 5360 DG22_Neg.mzML 0.0 0 635.1102079534463 14.3394 5363 DG22_Neg.mzML 53880.914 0 311.05526830333224 14.342617 5364 DG22_Neg.mzML 0.0 0 309.0405271809209 14.358583 5382 DG22_Neg.mzML 119274.73 0 405.1571030649828 14.544967 5392 DG22_Neg.mzML 100057.84 0 661.1386324723072 14.605575 5397 DG22_Neg.mzML 0.0 0 593.1506577556037 14.629 5418 DG22_Neg.mzML 0.0 0 193.04914738633232 14.7418 5420 DG22_Neg.mzML 59964.21 0 137.02362861328737 14.757616 5447 DG22_Neg.mzML 699221.5 0 193.0494736438729 14.87265 5450 DG22_Neg.mzML 234810.73 0 769.2530003277922 14.87265 5457 DG22_Neg.mzML 0.0 0 577.1521987618576 14.893817 5458 DG22_Neg.mzML 0.0 0 613.1290567626033 14.893817 5460 DG22_Neg.mzML 0.0 0 635.1104493131245 14.893817 5462 DG22_Neg.mzML 0.0 0 645.1385461782595 14.893817 5469 DG22_Neg.mzML 0.0 0 691.1852659461111 14.94025 5470 DG22_Neg.mzML 0.0 0 727.1627943736761 14.9007 5471 DG22_Neg.mzML 0.0 0 651.11030382844 14.94025 5473 DG22_Neg.mzML 0.0 0 733.1962366192244 14.94025 5494 DG22_Neg.mzML 149468.47 0 661.1354254880587 14.995584 5495 DG22_Neg.mzML 3694576.5 0 593.149145990914 15.007709 5502 DG22_Neg.mzML 158599.39 0 453.2242156444131 15.075117 5513 DG22_Neg.mzML 155029.23 0 463.2529935048033 15.075117 5514 DG22_Neg.mzML 125502.96 0 651.1131697253658 15.075117 5535 DG22_Neg.mzML 0.0 0 309.0397280069511 15.227616 5539 DG22_Neg.mzML 109975.8 0 311.0552594055188 15.23605 5541 DG22_Neg.mzML 0.0 0 629.2391211108138 15.251133 5543 DG22_Neg.mzML 0.0 0 347.03223517589254 15.264983 5550 DG22_Neg.mzML 0.0 0 243.1215964280396 15.293067 5577 DG22_Neg.mzML 48153.37 0 243.12268633007812 15.402567 5586 DG22_Neg.mzML 1410004.2 0 193.0491771467249 15.422379 5598 DG22_Neg.mzML 95635.625 0 137.02368447353822 15.521611 5618 DG22_Neg.mzML 145259.02 0 639.1553137386283 15.707784 5622 DG22_Neg.mzML 53788.613 0 675.1391884426622 15.752633 5633 DG22_Neg.mzML 0.0 0 343.2114877815922 15.840584 5649 DG22_Neg.mzML 95574.57 0 673.1837237631448 15.885567 5671 DG22_Neg.mzML 0.0 0 243.1218739718687 15.958324 5680 DG22_Neg.mzML 0.0 0 583.2466173437159 16.00215 5715 DG22_Neg.mzML 0.0 0 337.03441907006953 16.120983 5742 DG22_Neg.mzML 67640.01 0 358.068290172722 16.201567 5747 DG22_Neg.mzML 179928.89 0 417.081911331325 16.201567 5759 DG22_Neg.mzML 107376.234 0 713.1134547505791 16.241 5781 DG22_Neg.mzML 0.0 0 343.2106383633688 16.285383 5783 DG22_Neg.mzML 72893.03 0 358.0690819636292 16.280634 5804 DG22_Neg.mzML 0.0 0 613.1277733347985 16.2884 5819 DG22_Neg.mzML 0.0 0 577.1520004864068 16.3298 5833 DG22_Neg.mzML 3002348.0 0 717.1421241974024 16.370083 5857 DG22_Neg.mzML 0.0 0 607.160884726321 16.4118 5874 DG22_Neg.mzML 0.0 0 675.1480982882313 16.451883 5904 DG22_Neg.mzML 56182.457 0 447.09171642989975 16.504108 5959 DG22_Neg.mzML 0.0 0 509.2930062745298 16.645634 5994 DG22_Neg.mzML 111441.17 0 895.1698052800642 16.766317 6016 DG22_Neg.mzML 98798.86 0 431.0968793307951 16.8092 6022 DG22_Neg.mzML 386282.1 0 537.1020538325597 16.815716 6058 DG22_Neg.mzML 0.0 0 431.0968546427189 16.938917 6059 DG22_Neg.mzML 0.0 0 467.0730366454667 16.938917 6067 DG22_Neg.mzML 128478.52 0 895.1688938426263 16.965567 6086 DG22_Neg.mzML 87085.73 0 728.1307171957458 16.965567 6095 DG22_Neg.mzML 0.0 0 353.147962979842 17.029118 6106 DG22_Neg.mzML 498993.66 0 715.1248556563322 17.050917 6141 DG22_Neg.mzML 0.0 0 671.1369244378888 17.12455 6144 DG22_Neg.mzML 0.0 0 718.1458697800665 17.12455 6165 DG22_Neg.mzML 0.0 0 717.141456846018 17.12455 6214 DG22_Neg.mzML 0.0 0 671.1363750700683 17.273235 6245 DG22_Neg.mzML 0.0 0 709.0794717532617 17.314201 6270 DG22_Neg.mzML 0.0 0 343.2103958220898 17.362316 6273 DG22_Neg.mzML 0.0 0 643.138644355023 17.362316 6286 DG22_Neg.mzML 0.0 0 303.089652614102 17.3981 6313 DG22_Neg.mzML 0.0 0 467.0722022732275 17.471317 6328 DG22_Neg.mzML 0.0 0 431.0960135032694 17.50865 6374 DG22_Neg.mzML 0.0 0 447.0909546684304 17.61965 6385 DG22_Neg.mzML 599247.06 0 395.0503337600125 17.648767 6391 DG22_Neg.mzML 0.0 0 343.2102326964592 17.682016 6392 DG22_Neg.mzML 0.0 0 597.2635660231704 17.682016 6407 DG22_Neg.mzML 0.0 0 607.1614870461902 17.72015 6409 DG22_Neg.mzML 0.0 0 643.1385027529027 17.72015 6445 DG22_Neg.mzML 152435.16 0 313.0677173754784 17.801916 6460 DG22_Neg.mzML 0.0 0 395.0524523084193 17.85705 6469 DG22_Neg.mzML 0.0 0 343.2097678232323 17.877533 6475 DG22_Neg.mzML 91059.09 0 179.0334492926242 17.878584 6476 DG22_Neg.mzML 149501.03 0 313.07001655211064 17.898592 6487 DG22_Neg.mzML 380919.72 0 161.02310652698156 17.926842 6490 DG22_Neg.mzML 171885.17 0 197.0436183972724 17.946384 6497 DG22_Neg.mzML 8707527.0 0 359.0742561721334 17.952017 6512 DG22_Neg.mzML 0.0 0 381.0579312708574 18.012266 6524 DG22_Neg.mzML 0.0 0 719.1579596417895 18.012266 6525 DG22_Neg.mzML 0.0 0 179.0338337830393 18.012266 6530 DG22_Neg.mzML 561831.7 0 395.05094714449496 18.013033 6538 DG22_Neg.mzML 0.0 0 383.1600984802265 18.051584 6539 DG22_Neg.mzML 0.0 0 161.0228899267294 18.039534 6560 DG22_Neg.mzML 0.0 0 313.070631330098 18.051584 6612 DG22_Neg.mzML 0.0 0 497.0812282515436 18.236732 6644 DG22_Neg.mzML 0.0 0 313.0697216811665 18.362467 6668 DG22_Neg.mzML 0.0 0 357.0589914128022 18.44195 6669 DG22_Neg.mzML 0.0 0 417.0317748316179 18.44195 6691 DG22_Neg.mzML 514404.56 0 395.05405255780215 18.494099 6693 DG22_Neg.mzML 1114183.2 0 741.1475890587801 18.497932 6730 DG22_Neg.mzML 0.0 0 395.0502252203929 18.603916 6739 DG22_Neg.mzML 2590000.5 0 717.149105992039 18.606167 6741 DG22_Neg.mzML 0.0 0 357.058536750351 18.642384 6749 DG22_Neg.mzML 5197348.0 0 719.1650672163848 18.642317 6750 DG22_Neg.mzML 2044561.0 0 720.1689396589771 18.642317 6767 DG22_Neg.mzML 279693.9 0 197.0447058467009 18.659409 6768 DG22_Neg.mzML 13343304.0 0 359.0753237995079 18.653734 6783 DG22_Neg.mzML 0.0 0 313.0687445972345 18.68005 6785 DG22_Neg.mzML 595613.5 0 161.0234184268784 18.678804 6833 DG22_Neg.mzML 0.0 0 395.05173119130814 18.7907 6870 DG22_Neg.mzML 7956615.0 0 359.0766342585108 18.895233 6873 DG22_Neg.mzML 1962149.1 0 719.1636999951434 18.895233 6888 DG22_Neg.mzML 642268.9 0 395.0533664082336 18.968884 6894 DG22_Neg.mzML 831144.6 0 741.1391870336815 18.968884 6895 DG22_Neg.mzML 343728.75 0 742.1421425162557 18.968884 6897 DG22_Neg.mzML 0.0 0 343.2108114359547 18.986166 6911 DG22_Neg.mzML 67304.93 0 381.0586902489547 19.045784 6922 DG22_Neg.mzML 0.0 0 733.1933710335162 19.101683 6923 DG22_Neg.mzML 0.0 0 769.1703571396301 19.101683 6936 DG22_Neg.mzML 0.0 0 263.1265239041477 19.086033 6938 DG22_Neg.mzML 63389.27 0 417.0353968221287 19.1312 6957 DG22_Neg.mzML 0.0 0 599.1883318445449 19.187767 7015 DG22_Neg.mzML 91269.7 0 493.22767740228807 19.414083 7019 DG22_Neg.mzML 0.0 0 583.2465557662506 19.442217 7022 DG22_Neg.mzML 94763.03 0 483.1994234198775 19.455833 7030 DG22_Neg.mzML 0.0 0 547.2704677017712 19.492216 7045 DG22_Neg.mzML 95666.05 0 607.2020555835472 19.539316 7059 DG22_Neg.mzML 108923.97 0 597.1734953079364 19.580517 7075 DG22_Neg.mzML 0.0 0 503.0963116039277 19.625967 7095 DG22_Neg.mzML 0.0 0 199.09586962823667 19.708267 7108 DG22_Neg.mzML 126156.484 0 599.1830742056634 19.78545 7123 DG22_Neg.mzML 80270.96 0 609.2158505373804 19.827267 7127 DG22_Neg.mzML 0.0 0 527.2532679627636 19.8537 7128 DG22_Neg.mzML 0.0 0 569.175477999126 19.8537 7134 DG22_Neg.mzML 0.0 0 365.0790419250887 19.893217 7157 DG22_Neg.mzML 177959.81 0 983.2808665065562 20.030134 7177 DG22_Neg.mzML 1275341.4 0 651.1564095058027 20.076134 7179 DG22_Neg.mzML 41518.625 0 709.117848437263 20.076134 7191 DG22_Neg.mzML 249418.73 0 607.2030999277218 20.1174 7192 DG22_Neg.mzML 426123.62 0 652.159680703141 20.1174 7196 DG22_Neg.mzML 0.0 0 463.0885611599512 20.136683 7199 DG22_Neg.mzML 264508.3 0 597.1747742564713 20.155567 7216 DG22_Neg.mzML 0.0 0 347.24173892264434 20.259216 7225 DG22_Neg.mzML 62202.965 0 731.1600396743183 20.268116 7230 DG22_Neg.mzML 0.0 0 397.1132165068205 20.272 7253 DG22_Neg.mzML 0.0 0 569.1757989123269 20.309483 7267 DG22_Neg.mzML 0.0 0 397.1122689512204 20.3594 7287 DG22_Neg.mzML 0.0 0 311.0908309312591 20.4471 7292 DG22_Neg.mzML 100486.78 0 879.1983942429124 20.463882 7303 DG22_Neg.mzML 0.0 0 365.07799051044987 20.4885 7305 DG22_Neg.mzML 523765.38 0 983.2819140174267 20.503584 7317 DG22_Neg.mzML 128693.63 0 537.2830476626128 20.583767 7337 DG22_Neg.mzML 0.0 0 609.2143164767017 20.651184 7363 DG22_Neg.mzML 0.0 0 535.14311702769 20.811266 7375 DG22_Neg.mzML 102987.74 0 343.0826323225848 20.8666 7377 DG22_Neg.mzML 0.0 0 397.1119853800615 20.878483 7379 DG22_Neg.mzML 152142.8 0 731.1597079471553 20.872541 7389 DG22_Neg.mzML 0.0 0 559.3172872985081 20.907867 7400 DG22_Neg.mzML 0.0 0 557.3024795530298 20.958633 7408 DG22_Neg.mzML 390783.38 0 681.1680485361367 20.984766 7411 DG22_Neg.mzML 0.0 0 489.10002684988297 21.005434 7423 DG22_Neg.mzML 0.0 0 345.2245392055426 21.05325 7443 DG22_Neg.mzML 0.0 0 513.2069907907679 21.09645 7445 DG22_Neg.mzML 0.0 0 525.2424738390457 21.09645 7457 DG22_Neg.mzML 1604559.2 0 493.1139459089703 21.1379 7465 DG22_Neg.mzML 0.0 0 477.2297908025994 21.139116 7472 DG22_Neg.mzML 112759.55 0 535.090166497946 21.177784 7473 DG22_Neg.mzML 183703.45 0 559.0861728859848 21.177784 7502 DG22_Neg.mzML 546192.06 0 719.1602929541771 21.254583 7520 DG22_Neg.mzML 0.0 0 559.0821792826275 21.412167 7526 DG22_Neg.mzML 74286.95 0 483.20021726619945 21.464733 7542 DG22_Neg.mzML 684441.0 0 717.1474126008013 21.549366 7554 DG22_Neg.mzML 47419.67 0 295.0611145020093 21.666916 7561 DG22_Neg.mzML 273758.78 0 491.0994889719933 21.704967 7570 DG22_Neg.mzML 50113.434 0 447.1100188038369 21.704967 7571 DG22_Neg.mzML 3536807.2 0 493.1122957211195 21.713818 7580 DG22_Neg.mzML 282426.4 0 535.0871552537515 21.735691 7588 DG22_Neg.mzML 320836.4 0 559.0842449881684 21.769491 7615 DG22_Neg.mzML 0.0 0 397.1137373710149 21.949383 7621 DG22_Neg.mzML 48846.72 0 653.1502991386352 21.993067 7622 DG22_Neg.mzML 57499.477 0 713.1705551718138 21.99185 7637 DG22_Neg.mzML 0.0 0 345.22560518846973 22.115734 7639 DG22_Neg.mzML 39603.445 0 597.2675549300635 22.130667 7641 DG22_Neg.mzML 0.0 0 489.0990345996663 22.1416 7642 DG22_Neg.mzML 0.0 0 201.1116283347032 22.168383 7650 DG22_Neg.mzML 37855.44 0 201.1119154205468 22.234034 7665 DG22_Neg.mzML 0.0 0 401.14024965466274 22.458967 7667 DG22_Neg.mzML 0.0 0 557.3043089399977 22.458967 7670 DG22_Neg.mzML 37163.77 0 437.1507699413265 22.508133 7677 DG22_Neg.mzML 100830.234 0 653.1507528613707 22.554726 7680 DG22_Neg.mzML 41140.29 0 437.1506460109656 22.59355 7683 DG22_Neg.mzML 41384.11 0 329.0662591731119 22.614758 7691 DG22_Neg.mzML 0.0 0 401.1394943462384 22.725317 7694 DG22_Neg.mzML 81862.7 0 537.2828305617861 22.728617 7701 DG22_Neg.mzML 44306.652 0 743.1515054502514 22.776016 7702 DG22_Neg.mzML 77268.45 0 469.1746712515143 22.823467 7706 DG22_Neg.mzML 0.0 0 629.2230494222753 22.83895 7709 DG22_Neg.mzML 38541.08 0 667.1900335649389 22.8705 7712 DG22_Neg.mzML 0.0 0 557.3035971700094 22.971666 7718 DG22_Neg.mzML 280827.12 0 623.1634927425339 22.961134 7726 DG22_Neg.mzML 0.0 0 487.122615704952 23.004683 7740 DG22_Neg.mzML 0.0 0 599.1887832225855 23.070316 7743 DG22_Neg.mzML 60570.07 0 493.22934440279175 23.096518 7746 DG22_Neg.mzML 43538.13 0 909.1904867980412 23.096518 7751 DG22_Neg.mzML 73135.234 0 483.2013754304924 23.1391 7757 DG22_Neg.mzML 0.0 0 590.1274204512899 23.241533 7759 DG22_Neg.mzML 33966.72 0 415.1065574919462 23.281067 7760 DG22_Neg.mzML 37454.844 0 459.1822875610776 23.281067 7761 DG22_Neg.mzML 30529.3 0 489.15645453815466 23.281067 7765 DG22_Neg.mzML 0.0 0 971.3483614722862 23.367634 7768 DG22_Neg.mzML 80917.35 0 177.05659670459588 23.427967 7771 DG22_Neg.mzML 35586.57 0 667.1913445843721 23.427967 7776 DG22_Neg.mzML 0.0 0 971.3489361073496 23.465616 7788 DG22_Neg.mzML 0.0 0 705.3778576143902 23.565584 7794 DG22_Neg.mzML 36913.953 0 735.169499642732 23.575333 7795 DG22_Neg.mzML 0.0 0 669.4024195594053 23.6127 7798 DG22_Neg.mzML 0.0 0 533.248544689274 23.67625 7814 DG22_Neg.mzML 0.0 0 583.2173786105435 23.798084 7821 DG22_Neg.mzML 0.0 0 585.2330867892454 23.84325 7823 DG22_Neg.mzML 26572.117 0 326.104223097362 23.912733 7824 DG22_Neg.mzML 216888.08 0 343.0817185527588 23.878849 7832 DG22_Neg.mzML 0.0 0 621.2067595778104 23.946083 7834 DG22_Neg.mzML 0.0 0 307.07180669167224 23.9795 7837 DG22_Neg.mzML 208638.25 0 343.0837772963572 24.011 7838 DG22_Neg.mzML 0.0 0 515.2942864681418 24.042616 7842 DG22_Neg.mzML 40477.934 0 537.2830284524656 24.103466 7843 DG22_Neg.mzML 0.0 0 421.2000356133521 24.122433 7844 DG22_Neg.mzML 0.0 0 431.22703574416346 24.122433 7860 DG22_Neg.mzML 0.0 0 343.0805154851769 24.273867 7869 DG22_Neg.mzML 0.0 0 591.1615126613119 24.34975 7878 DG22_Neg.mzML 52814.965 0 351.1579278644204 24.473316 7882 DG22_Neg.mzML 0.0 0 569.179814443787 24.479967 7887 DG22_Neg.mzML 40411.645 0 361.1861052705662 24.51425 7891 DG22_Neg.mzML 0.0 0 555.1871627035608 24.549467 7895 DG22_Neg.mzML 0.0 0 655.3477427920627 24.567966 7901 DG22_Neg.mzML 0.0 0 466.1726170432891 24.616417 7902 DG22_Neg.mzML 624105.8 0 343.0816925793402 24.618668 7906 DG22_Neg.mzML 0.0 0 731.1607502890931 24.67395 7941 DG22_Neg.mzML 0.0 0 983.2799471365922 24.945383 7947 DG22_Neg.mzML 89156.38 0 737.1117452738296 24.957117 7958 DG22_Neg.mzML 364405.25 0 715.1305591609743 25.039883 7966 DG22_Neg.mzML 0.0 0 466.1717804444048 25.15635 7973 DG22_Neg.mzML 0.0 0 559.2933779178524 25.15635 7976 DG22_Neg.mzML 61517.906 0 419.0537354533327 25.161516 7985 DG22_Neg.mzML 97072.484 0 383.077309707895 25.206259 7987 DG22_Neg.mzML 0.0 0 357.0623296474349 25.208534 7988 DG22_Neg.mzML 0.0 0 409.0702623402639 25.208534 7997 DG22_Neg.mzML 0.0 0 199.1326908434207 25.273867 7999 DG22_Neg.mzML 71232.84 0 548.0930880763578 25.290533 8001 DG22_Neg.mzML 0.0 0 489.1035541401805 25.3169 8002 DG22_Neg.mzML 0.0 0 555.1870404396286 25.3169 8005 DG22_Neg.mzML 51257.15 0 409.0686877902056 25.33545 8020 DG22_Neg.mzML 0.0 0 829.4406808149491 25.392616 8022 DG22_Neg.mzML 0.0 0 591.1633234712398 25.41375 8030 DG22_Neg.mzML 40226.53 0 433.15645849198194 25.469034 8038 DG22_Neg.mzML 80430.76 0 537.6056672718587 25.5186 8050 DG22_Neg.mzML 187129.03 0 373.0923719567104 25.606234 8053 DG22_Neg.mzML 88503.77 0 409.06938749609054 25.62785 8057 DG22_Neg.mzML 72742.22 0 548.0942130812434 25.644983 8060 DG22_Neg.mzML 0.0 0 441.0803873967939 25.6077 8065 DG22_Neg.mzML 73854.78 0 537.6040985281156 25.6842 8088 DG22_Neg.mzML 0.0 0 497.1814465563651 26.007683 8089 DG22_Neg.mzML 0.0 0 971.352095741998 26.007683 8105 DG22_Neg.mzML 35066.715 0 576.1263212282636 26.2544 8153 DG22_Neg.mzML 0.0 0 711.0988764554673 26.450117 8161 DG22_Neg.mzML 0.0 0 737.112147413585 26.496666 8163 DG22_Neg.mzML 0.0 0 715.1308835171762 26.534666 8165 DG22_Neg.mzML 59228.656 0 761.1069771783502 26.5451 8178 DG22_Neg.mzML 0.0 0 611.327195360723 26.584133 8193 DG22_Neg.mzML 0.0 0 795.2644927140609 26.634233 8195 DG22_Neg.mzML 94477.88 0 519.0926777681948 26.638567 8197 DG22_Neg.mzML 0.0 0 269.0452766276828 26.649666 8207 DG22_Neg.mzML 399765.34 0 739.1257734252688 26.666517 8212 DG22_Neg.mzML 0.0 0 713.1127099686946 26.687784 8218 DG22_Neg.mzML 0.0 0 625.1353402399383 26.687784 8219 DG22_Neg.mzML 43870.664 0 711.0948944270433 26.69796 8220 DG22_Neg.mzML 128604.336 0 672.1418299295807 26.708134 8232 DG22_Neg.mzML 164369.38 0 740.129467538929 26.736732 8238 DG22_Neg.mzML 0.0 0 671.1394109306145 26.765333 8249 DG22_Neg.mzML 0.0 0 667.3897967208289 26.788666 8258 DG22_Neg.mzML 0.0 0 737.1114799750544 26.8084 8265 DG22_Neg.mzML 0.0 0 703.366006663922 26.841284 8292 DG22_Neg.mzML 0.0 0 519.092728857974 26.93335 8296 DG22_Neg.mzML 57249.58 0 679.3678290047883 26.951065 8309 DG22_Neg.mzML 0.0 0 341.1953639229368 27.008333 8310 DG22_Neg.mzML 0.0 0 981.265127928407 27.008333 8318 DG22_Neg.mzML 0.0 0 740.1291974161036 27.014233 8337 DG22_Neg.mzML 0.0 0 761.1077285258764 27.092884 8340 DG22_Neg.mzML 0.0 0 209.1171991138358 27.123266 8366 DG22_Neg.mzML 0.0 0 164.92676929067147 27.177134 8370 DG22_Neg.mzML 179526.08 0 740.1282419047762 27.21265 8375 DG22_Neg.mzML 0.0 0 715.1296373334173 27.215683 8397 DG22_Neg.mzML 443681.72 0 739.126518013939 27.273642 8408 DG22_Neg.mzML 47797.04 0 358.06786861196525 27.294634 8420 DG22_Neg.mzML 0.0 0 740.1303647674223 27.3309 8424 DG22_Neg.mzML 90911.875 0 731.1237927127816 27.332985 8428 DG22_Neg.mzML 78662.81 0 711.0906431419417 27.336983 8432 DG22_Neg.mzML 0.0 0 341.1960113871401 27.342417 8434 DG22_Neg.mzML 222129.42 0 672.1420305201066 27.354158 8448 DG22_Neg.mzML 190440.75 0 519.0924175301501 27.397467 8469 DG22_Neg.mzML 6682042.0 0 717.1423359925454 27.455833 8474 DG22_Neg.mzML 141916.39 0 669.1211919091653 27.462833 8476 DG22_Neg.mzML 544669.56 0 671.1386021206122 27.475449 8481 DG22_Neg.mzML 0.0 0 711.0985818510995 27.488066 8482 DG22_Neg.mzML 0.0 0 718.1485872751155 27.488066 8484 DG22_Neg.mzML 0.0 0 505.1844150131451 27.494667 8506 DG22_Neg.mzML 50325.004 0 667.1393164517806 27.577682 8512 DG22_Neg.mzML 0.0 0 525.245931994808 27.598867 8517 DG22_Neg.mzML 168797.64 0 740.1260063857497 27.614616 8530 DG22_Neg.mzML 67151.81 0 849.1630850760287 27.65105 8547 DG22_Neg.mzML 0.0 0 632.314799517863 27.763283 8555 DG22_Neg.mzML 128568.05 0 551.1175034053712 27.821234 8567 DG22_Neg.mzML 0.0 0 983.201971763962 27.87435 8583 DG22_Neg.mzML 0.0 0 491.096726582381 27.990616 8589 DG22_Neg.mzML 157108.52 0 489.0822458501512 28.007435 8597 DG22_Neg.mzML 0.0 0 373.0927486960427 28.043333 8602 DG22_Neg.mzML 181630.44 0 665.3894396457331 28.063467 8616 DG22_Neg.mzML 0.0 0 669.4025835179337 28.1418 8631 DG22_Neg.mzML 152086.94 0 983.2043863133626 28.186075 8636 DG22_Neg.mzML 0.0 0 549.0647544545094 28.199484 8637 DG22_Neg.mzML 0.0 0 705.3750906589901 28.23645 8639 DG22_Neg.mzML 2680236.8 0 491.097233116756 28.215467 8642 DG22_Neg.mzML 102996.2 0 513.0803005666444 28.215467 8643 DG22_Neg.mzML 336474.72 0 551.1195673717014 28.215467 8678 DG22_Neg.mzML 55495.53 0 549.065474613006 28.327116 8683 DG22_Neg.mzML 0.0 0 667.3871016009886 28.327633 8684 DG22_Neg.mzML 0.0 0 703.3633253350764 28.327633 8687 DG22_Neg.mzML 0.0 0 551.1203425026546 28.357983 8692 DG22_Neg.mzML 116132.4 0 513.0796046234424 28.394684 8706 DG22_Neg.mzML 0.0 0 242.99595146553992 28.436617 8720 DG22_Neg.mzML 323992.28 0 489.0811350226443 28.472916 8721 DG22_Neg.mzML 4228939.0 0 491.0964069013303 28.472916 8736 DG22_Neg.mzML 0.0 0 983.2023690082792 28.511234 8740 DG22_Neg.mzML 46007.42 0 487.0653860358258 28.512564 8766 DG22_Neg.mzML 48876.906 0 549.0801406990357 28.622984 8768 DG22_Neg.mzML 0.0 0 513.0789128165255 28.627266 8776 DG22_Neg.mzML 0.0 0 667.3871693814806 28.637184 8802 DG22_Neg.mzML 0.0 0 489.09181355566665 28.786734 8808 DG22_Neg.mzML 0.0 0 353.0264989377926 28.822666 8810 DG22_Neg.mzML 0.0 0 759.283137051104 28.822666 8816 DG22_Neg.mzML 0.0 0 285.03920948633754 28.843416 8820 DG22_Neg.mzML 0.0 0 491.0971681202829 28.864166 8824 DG22_Neg.mzML 0.0 0 507.0923182065201 28.864166 8827 DG22_Neg.mzML 0.0 0 283.0235727869066 28.87075 8844 DG22_Neg.mzML 0.0 0 955.2885831618756 28.955116 8860 DG22_Neg.mzML 103774.484 0 505.11092525171415 29.021334 8864 DG22_Neg.mzML 0.0 0 613.2301680198118 29.04225 8876 DG22_Neg.mzML 172045.84 0 573.100488506183 29.081766 8888 DG22_Neg.mzML 57155.605 0 609.0758702456998 29.099466 8898 DG22_Neg.mzML 4263027.5 0 551.117262319133 29.121433 8906 DG22_Neg.mzML 0.0 0 505.1096680688501 29.1434 8913 DG22_Neg.mzML 0.0 0 489.2666881160543 29.175333 8923 DG22_Neg.mzML 103192.47 0 637.3769824118997 29.262684 8927 DG22_Neg.mzML 161927.45 0 850.1666751115761 29.262684 8930 DG22_Neg.mzML 0.0 0 257.13764036667567 29.268583 8932 DG22_Neg.mzML 0.0 0 213.11146998011696 29.268583 8934 DG22_Neg.mzML 82325.586 0 675.3624734132937 29.303783 8942 DG22_Neg.mzML 52325.496 0 543.3263561933395 29.3084 8945 DG22_Neg.mzML 337788.47 0 849.1638021202543 29.324932 8953 DG22_Neg.mzML 65361.21 0 871.1460948981013 29.344868 8956 DG22_Neg.mzML 0.0 0 473.1077449939382 29.346083 8959 DG22_Neg.mzML 0.0 0 509.0852641591574 29.346083 8974 DG22_Neg.mzML 0.0 0 850.1674529390341 29.38595 8978 DG22_Neg.mzML 0.0 0 639.2992418209275 29.4074 8999 DG22_Neg.mzML 38590.633 0 371.07693928720585 29.559816 9000 DG22_Neg.mzML 1055037.8 0 409.06814283033145 29.5484 9003 DG22_Neg.mzML 1545041.4 0 373.0916627858617 29.561707 9017 DG22_Neg.mzML 0.0 0 667.3855306943761 29.61995 9018 DG22_Neg.mzML 0.0 0 703.3616960828656 29.61995 9027 DG22_Neg.mzML 0.0 0 449.2720944406808 29.659483 9029 DG22_Neg.mzML 59591.51 0 673.3539455941476 29.669767 9037 DG22_Neg.mzML 194300.47 0 325.2004366173725 29.704082 9039 DG22_Neg.mzML 0.0 0 583.216376876246 29.70075 9042 DG22_Neg.mzML 0.0 0 705.377089060876 29.72305 9053 DG22_Neg.mzML 0.0 0 489.26811507902687 29.789717 9055 DG22_Neg.mzML 60033.156 0 639.3918256443384 29.792667 9059 DG22_Neg.mzML 0.0 0 667.3883986721111 29.80805 9061 DG22_Neg.mzML 0.0 0 703.3654353058637 29.80805 9069 DG22_Neg.mzML 84416.805 0 675.3684026478411 29.835533 9075 DG22_Neg.mzML 0.0 0 437.2281719691932 29.835318 9087 DG22_Neg.mzML 38840.777 0 577.2844190168606 29.918617 9106 DG22_Neg.mzML 0.0 0 667.3852405988762 30.051567 9115 DG22_Neg.mzML 1574660.8 0 665.1696471549475 30.04385 9117 DG22_Neg.mzML 55342.773 0 733.1595932390088 30.04385 9126 DG22_Neg.mzML 0.0 0 703.3619269150794 30.051567 9139 DG22_Neg.mzML 0.0 0 639.2989026110884 30.089817 9141 DG22_Neg.mzML 0.0 0 675.2751135480559 30.089817 9146 DG22_Neg.mzML 245348.36 0 205.04935257952744 30.093613 9151 DG22_Neg.mzML 63728.19 0 517.0785523803604 30.13015 9157 DG22_Neg.mzML 0.0 0 761.1725181256185 30.150734 9171 DG22_Neg.mzML 0.0 0 213.1115929006833 30.218018 9184 DG22_Neg.mzML 0.0 0 651.1529571324061 30.244217 9187 DG22_Neg.mzML 168169.88 0 361.0476537404824 30.251558 9189 DG22_Neg.mzML 370770.75 0 325.07091697399585 30.251558 9197 DG22_Neg.mzML 104550.516 0 323.0552707920684 30.274324 9198 DG22_Neg.mzML 0.0 0 491.28377126334567 30.296082 9215 DG22_Neg.mzML 0.0 0 291.1226679081101 30.38135 9217 DG22_Neg.mzML 0.0 0 935.2038819363064 30.38135 9227 DG22_Neg.mzML 149029.44 0 541.3115075005167 30.386524 9228 DG22_Neg.mzML 0.0 0 437.2285144946967 30.427633 9236 DG22_Neg.mzML 0.0 0 325.2005024693522 30.427633 9242 DG22_Neg.mzML 52458.645 0 287.1483979408675 30.4741 9251 DG22_Neg.mzML 0.0 0 489.26795060471176 30.52135 9256 DG22_Neg.mzML 131317.06 0 385.0920219279377 30.51865 9257 DG22_Neg.mzML 71133.77 0 421.0686573445775 30.51865 9268 DG22_Neg.mzML 83560.25 0 695.2164849830577 30.559317 9275 DG22_Neg.mzML 285545.03 0 543.3255241421072 30.5725 9276 DG22_Neg.mzML 123167.414 0 701.149341445418 30.574642 9282 DG22_Neg.mzML 51114.22 0 673.3515902437497 30.602182 9287 DG22_Neg.mzML 0.0 0 577.2202016733611 30.63035 9292 DG22_Neg.mzML 0.0 0 357.2268364771569 30.6531 9297 DG22_Neg.mzML 0.0 0 731.1596291398131 30.672567 9313 DG22_Neg.mzML 0.0 0 688.3676626963456 30.740767 9325 DG22_Neg.mzML 0.0 0 507.0920683343145 30.769466 9338 DG22_Neg.mzML 0.0 0 505.07817770363135 30.7591 9349 DG22_Neg.mzML 0.0 0 503.0958358832165 30.8087 9353 DG22_Neg.mzML 105839.01 0 693.1668036171226 30.82015 9354 DG22_Neg.mzML 125517.64 0 215.1275225524646 30.82564 9367 DG22_Neg.mzML 105477.14 0 695.2160353406499 30.8608 9418 DG22_Neg.mzML 162074.33 0 395.2026314681021 31.04226 9419 DG22_Neg.mzML 4724996.0 0 327.2157452395255 31.029785 9420 DG22_Neg.mzML 238522.33 0 363.1918567194693 31.022942 9423 DG22_Neg.mzML 154307.3 0 385.173976761491 31.04226 9450 DG22_Neg.mzML 0.0 0 439.24450801868295 31.0862 9451 DG22_Neg.mzML 0.0 0 505.1116499070441 31.12685 9452 DG22_Neg.mzML 0.0 0 809.3005101427759 31.12685 9456 DG22_Neg.mzML 0.0 0 810.3047412355965 31.12685 9457 DG22_Neg.mzML 0.0 0 541.0908773524859 31.12685 9463 DG22_Neg.mzML 104982.914 0 677.2049049888813 31.139633 9480 DG22_Neg.mzML 0.0 0 521.3276709742088 31.16655 9485 DG22_Neg.mzML 0.0 0 283.1073864615372 31.183968 9510 DG22_Neg.mzML 0.0 0 325.1994022191601 31.2678 9512 DG22_Neg.mzML 0.0 0 541.308957281458 31.2678 9515 DG22_Neg.mzML 0.0 0 765.3159882052889 31.296034 9528 DG22_Neg.mzML 700917.3 0 327.2158235590755 31.3459 9530 DG22_Neg.mzML 0.0 0 385.1732770071819 31.349417 9532 DG22_Neg.mzML 0.0 0 437.2284952848811 31.349417 9544 DG22_Neg.mzML 156930.77 0 541.3127344062484 31.3612 9557 DG22_Neg.mzML 0.0 0 649.3920467120325 31.3886 9564 DG22_Neg.mzML 0.0 0 169.08617387508914 31.434116 9567 DG22_Neg.mzML 42257.65 0 519.2730867566709 31.460333 9569 DG22_Neg.mzML 0.0 0 257.1375332276811 31.4747 9574 DG22_Neg.mzML 2955859.0 0 577.1312011720665 31.501467 9575 DG22_Neg.mzML 50332.797 0 599.1155932261543 31.501467 9582 DG22_Neg.mzML 0.0 0 519.3112665545364 31.519367 9591 DG22_Neg.mzML 0.0 0 327.21545787379443 31.57505 9593 DG22_Neg.mzML 33708.277 0 395.2030258200655 31.578468 9596 DG22_Neg.mzML 0.0 0 541.3104785974566 31.6053 9606 DG22_Neg.mzML 0.0 0 543.3242585280339 31.623034 9609 DG22_Neg.mzML 93957.07 0 617.349834311706 31.636784 9610 DG22_Neg.mzML 136970.53 0 653.3290107486027 31.636784 9614 DG22_Neg.mzML 0.0 0 548.3397546968126 31.648184 9663 DG22_Neg.mzML 0.0 0 252.1223625311873 31.81965 9670 DG22_Neg.mzML 0.0 0 517.316500059773 31.843718 9675 DG22_Neg.mzML 129751.805 0 731.1582161726568 31.8518 9677 DG22_Neg.mzML 0.0 0 313.06974200613274 31.85925 9687 DG22_Neg.mzML 0.0 0 325.1997527914024 31.85925 9688 DG22_Neg.mzML 0.0 0 809.3037945524915 31.8876 9690 DG22_Neg.mzML 0.0 0 845.2821396540154 31.8876 9703 DG22_Neg.mzML 206235.11 0 327.2158758444787 31.93495 9706 DG22_Neg.mzML 105164.625 0 695.2153000734577 31.93495 9727 DG22_Neg.mzML 68442.125 0 541.3123420813167 32.00406 9736 DG22_Neg.mzML 58686.285 0 426.2838635451365 32.01779 9740 DG22_Neg.mzML 153136.88 0 713.112120263228 32.01808 9744 DG22_Neg.mzML 0.0 0 297.1231494439484 32.05725 9754 DG22_Neg.mzML 0.0 0 345.2274650658861 32.11152 9760 DG22_Neg.mzML 0.0 0 831.4373509098505 32.126366 9765 DG22_Neg.mzML 0.0 0 813.4497440459148 32.142384 9767 DG22_Neg.mzML 126211.8 0 487.0655567937653 32.142883 9782 DG22_Neg.mzML 0.0 0 541.3139714106638 32.207283 9794 DG22_Neg.mzML 1145363.8 0 331.24798786858 32.259693 9797 DG22_Neg.mzML 86323.03 0 367.2210338802735 32.261883 9800 DG22_Neg.mzML 0.0 0 512.3004160365724 32.265533 9810 DG22_Neg.mzML 0.0 0 269.0450166085988 32.297974 9851 DG22_Neg.mzML 2914390.8 0 329.23193956282216 32.419056 9852 DG22_Neg.mzML 215079.34 0 365.20819379409767 32.419056 9854 DG22_Neg.mzML 143605.42 0 397.21925358567074 32.419056 9856 DG22_Neg.mzML 144223.78 0 505.113404301953 32.419617 9874 DG22_Neg.mzML 0.0 0 512.2958549352244 32.457283 9888 DG22_Neg.mzML 0.0 0 439.2761913722868 32.53858 9900 DG22_Neg.mzML 277988.03 0 677.2066572293844 32.579384 9923 DG22_Neg.mzML 75797.1 0 521.2844269879639 32.654385 9927 DG22_Neg.mzML 0.0 0 299.0543536325225 32.65605 9932 DG22_Neg.mzML 0.0 0 509.24908078789656 32.65605 9937 DG22_Neg.mzML 998326.94 0 313.07081794806453 32.659134 9938 DG22_Neg.mzML 411060.8 0 349.0480053729852 32.660675 9940 DG22_Neg.mzML 0.0 0 361.1760389236524 32.693466 9952 DG22_Neg.mzML 53047.145 0 283.1537749170954 32.736633 9979 DG22_Neg.mzML 51006.43 0 321.1337923513391 32.86487 9988 DG22_Neg.mzML 540163.8 0 327.2160507757472 32.879063 9989 DG22_Neg.mzML 0.0 0 385.17363815681085 32.896782 9990 DG22_Neg.mzML 0.0 0 395.20173974037766 32.896782 10009 DG22_Neg.mzML 134934.53 0 709.2336398429484 32.904316 10010 DG22_Neg.mzML 258197.06 0 565.1362158305915 32.91109 10042 DG22_Neg.mzML 379460.03 0 577.132694739715 32.982983 10050 DG22_Neg.mzML 0.0 0 428.2969719113477 33.016933 10056 DG22_Neg.mzML 0.0 0 514.3107017819424 33.016933 10060 DG22_Neg.mzML 74636.57 0 667.3315335051798 33.02325 10069 DG22_Neg.mzML 65238.58 0 301.2006801456749 33.054665 10083 DG22_Neg.mzML 0.0 0 689.388603569425 33.088768 10098 DG22_Neg.mzML 0.0 0 737.1152901344966 33.13027 10104 DG22_Neg.mzML 0.0 0 509.2480204631457 33.139534 10132 DG22_Neg.mzML 0.0 0 597.23214680972 33.223434 10145 DG22_Neg.mzML 387062.62 0 287.221031999188 33.254597 10152 DG22_Neg.mzML 125332.57 0 711.1921417755847 33.2767 10154 DG22_Neg.mzML 0.0 0 426.2821242554304 33.304432 10162 DG22_Neg.mzML 0.0 0 445.094400322622 33.304466 10183 DG22_Neg.mzML 0.0 0 440.297026834865 33.34485 10192 DG22_Neg.mzML 0.0 0 419.2646900071938 33.386234 10212 DG22_Neg.mzML 90608.05 0 329.23167784138514 33.447124 10241 DG22_Neg.mzML 0.0 0 229.14394217728915 33.519733 10244 DG22_Neg.mzML 0.0 0 649.3967582947571 33.519733 10283 DG22_Neg.mzML 513702.38 0 537.0808377246697 33.604084 10286 DG22_Neg.mzML 0.0 0 687.372284077692 33.604782 10297 DG22_Neg.mzML 220475.5 0 329.23220891011016 33.646793 10307 DG22_Neg.mzML 198575.19 0 692.353922725034 33.642185 10334 DG22_Neg.mzML 0.0 0 539.2979430344288 33.69865 10336 DG22_Neg.mzML 0.0 0 307.18848010664937 33.710716 10341 DG22_Neg.mzML 75225.336 0 449.2383376586226 33.724068 10366 DG22_Neg.mzML 0.0 0 309.2046574500752 33.794426 10387 DG22_Neg.mzML 0.0 0 239.12778353039408 33.861183 10388 DG22_Neg.mzML 146135.6 0 578.3055684075605 33.863274 10390 DG22_Neg.mzML 0.0 0 445.0943752446582 33.890865 10391 DG22_Neg.mzML 0.0 0 385.2237233198856 33.890865 10407 DG22_Neg.mzML 73024.17 0 431.2268933050656 33.893433 10414 DG22_Neg.mzML 74591.805 0 491.315769951644 33.937 10425 DG22_Neg.mzML 0.0 0 307.19040767179456 33.967697 10427 DG22_Neg.mzML 49560.43 0 487.2864395129765 33.981182 10432 DG22_Neg.mzML 142839.45 0 447.3307649242141 34.024532 10439 DG22_Neg.mzML 0.0 0 387.28597361162696 34.028435 10440 DG22_Neg.mzML 0.0 0 341.2313963138401 34.0436 10443 DG22_Neg.mzML 0.0 0 409.2176670313427 34.0436 10445 DG22_Neg.mzML 0.0 0 524.2950385711423 34.0436 10446 DG22_Neg.mzML 87289.23 0 329.2321594152186 34.06097 10461 DG22_Neg.mzML 0.0 0 442.31371809781615 34.084183 10462 DG22_Neg.mzML 0.0 0 505.11623754831874 34.116783 10464 DG22_Neg.mzML 119166.484 0 322.2003862245931 34.09584 10506 DG22_Neg.mzML 86748.37 0 487.2886305206723 34.23575 10522 DG22_Neg.mzML 167556.1 0 309.20575223324084 34.285816 10523 DG22_Neg.mzML 37801.168 0 341.2290430470754 34.285816 10529 DG22_Neg.mzML 0.0 0 440.2979451148586 34.299484 10533 DG22_Neg.mzML 97362.45 0 623.1189128614716 34.330303 10545 DG22_Neg.mzML 0.0 0 593.270258782586 34.357117 10547 DG22_Neg.mzML 90823.836 0 533.3286254185217 34.369385 10569 DG22_Neg.mzML 0.0 0 303.0074417038669 34.462868 10574 DG22_Neg.mzML 0.0 0 382.2552436979806 34.4814 10576 DG22_Neg.mzML 183751.02 0 313.237696999795 34.49492 10578 DG22_Neg.mzML 64315.613 0 345.26321047607723 34.49492 10588 DG22_Neg.mzML 0.0 0 431.2605702197673 34.524403 10599 DG22_Neg.mzML 0.0 0 421.2323119080877 34.524403 10601 DG22_Neg.mzML 132697.08 0 580.3255966484995 34.534767 10613 DG22_Neg.mzML 0.0 0 475.29165194173146 34.56705 10629 DG22_Neg.mzML 0.0 0 349.20024489186494 34.61585 10639 DG22_Neg.mzML 383726.72 0 537.0825860912664 34.65295 10668 DG22_Neg.mzML 206916.89 0 529.2991243707612 34.772827 10670 DG22_Neg.mzML 75386.805 0 580.3233831823335 34.774937 10684 DG22_Neg.mzML 335075.84 0 565.2765278777312 34.792404 10698 DG22_Neg.mzML 0.0 0 313.23860599258694 34.852333 10706 DG22_Neg.mzML 83930.195 0 343.16678905441165 34.852028 10708 DG22_Neg.mzML 546965.0 0 307.1894422685011 34.85213 10709 DG22_Neg.mzML 61631.594 0 375.1790631174384 34.852028 10738 DG22_Neg.mzML 125509.38 0 287.1856252863183 34.969658 10741 DG22_Neg.mzML 92352.53 0 369.22383939306377 34.986065 10744 DG22_Neg.mzML 0.0 0 311.22062573306755 34.996334 10750 DG22_Neg.mzML 52376.582 0 271.15372192582544 35.027233 10755 DG22_Neg.mzML 0.0 0 187.13312223694027 35.040432 10777 DG22_Neg.mzML 0.0 0 243.1591232795749 35.086082 10778 DG22_Neg.mzML 0.0 0 309.2051821828307 35.096233 10779 DG22_Neg.mzML 0.0 0 345.1810302804016 35.096233 10793 DG22_Neg.mzML 0.0 0 309.1747952095491 35.13145 10796 DG22_Neg.mzML 0.0 0 341.230857805534 35.13785 10797 DG22_Neg.mzML 0.0 0 377.1941505906301 35.13785 10807 DG22_Neg.mzML 76651.805 0 707.1526973910493 35.157833 10814 DG22_Neg.mzML 0.0 0 695.3797212493325 35.1795 10815 DG22_Neg.mzML 53002.207 0 271.1541503371502 35.198032 10817 DG22_Neg.mzML 444426.75 0 673.3218487204495 35.198032 10818 DG22_Neg.mzML 181623.27 0 674.325338175897 35.198032 10822 DG22_Neg.mzML 0.0 0 491.2412150746976 35.2232 10832 DG22_Neg.mzML 0.0 0 356.2423146944898 35.267025 10833 DG22_Neg.mzML 0.0 0 325.20190106476764 35.26782 10844 DG22_Neg.mzML 0.0 0 309.20474804847663 35.308765 10855 DG22_Neg.mzML 98739.055 0 529.30018104667 35.319435 10879 DG22_Neg.mzML 80352.06 0 861.4460804282738 35.40415 10889 DG22_Neg.mzML 0.0 0 582.3412185780085 35.447567 10890 DG22_Neg.mzML 199260.38 0 311.1877878828016 35.425858 10916 DG22_Neg.mzML 0.0 0 323.1863044726149 35.486683 10929 DG22_Neg.mzML 0.0 0 491.2410833992718 35.563282 10941 DG22_Neg.mzML 0.0 0 476.31984099598617 35.6044 10947 DG22_Neg.mzML 165978.08 0 669.290187045785 35.607784 10952 DG22_Neg.mzML 0.0 0 387.2376522746552 35.64562 10959 DG22_Neg.mzML 1414424.4 0 293.17482069806726 35.65127 10960 DG22_Neg.mzML 0.0 0 351.1353560938232 35.65938 10961 DG22_Neg.mzML 78072.56 0 361.1637657520787 35.65127 10969 DG22_Neg.mzML 0.0 0 609.3406730722398 35.65938 10971 DG22_Neg.mzML 63889.2 0 236.1042529079093 35.6541 11010 DG22_Neg.mzML 361293.4 0 837.4107377021462 35.768494 11011 DG22_Neg.mzML 194956.69 0 873.3879407988175 35.768494 11022 DG22_Neg.mzML 0.0 0 377.199044525079 35.80375 11028 DG22_Neg.mzML 248788.95 0 723.1691545413419 35.81008 11029 DG22_Neg.mzML 151743.3 0 759.1457744216094 35.81008 11032 DG22_Neg.mzML 86734.3 0 309.2051834045291 35.826385 11035 DG22_Neg.mzML 0.0 0 311.2217716156988 35.8391 11045 DG22_Neg.mzML 0.0 0 483.2361239519546 35.835335 11074 DG22_Neg.mzML 0.0 0 580.3243394507981 35.96595 11085 DG22_Neg.mzML 115644.95 0 669.2909488486522 35.972633 11118 DG22_Neg.mzML 196686.45 0 311.2204862765988 36.026474 11119 DG22_Neg.mzML 0.0 0 379.2081514926976 36.042233 11120 DG22_Neg.mzML 0.0 0 543.279784218404 36.042233 11121 DG22_Neg.mzML 253255.67 0 305.1742286435362 36.032375 11131 DG22_Neg.mzML 0.0 0 645.4294963438564 36.042233 11162 DG22_Neg.mzML 0.0 0 309.2020471461774 36.117535 11169 DG22_Neg.mzML 0.0 0 301.2005620347588 36.151085 11180 DG22_Neg.mzML 0.0 0 345.180788636494 36.157032 11189 DG22_Neg.mzML 297022.94 0 311.22154922639663 36.158836 11190 DG22_Neg.mzML 0.0 0 379.2066687147936 36.151085 11199 DG22_Neg.mzML 0.0 0 386.288378405089 36.195168 11203 DG22_Neg.mzML 621020.9 0 349.2128721376471 36.204792 11206 DG22_Neg.mzML 101209.445 0 309.18647618636163 36.206 11222 DG22_Neg.mzML 0.0 0 309.1734359120089 36.254 11228 DG22_Neg.mzML 0.0 0 675.3566281327456 36.273182 11229 DG22_Neg.mzML 230641.17 0 711.3341971937349 36.283817 11230 DG22_Neg.mzML 0.0 0 721.3625163882599 36.273182 11233 DG22_Neg.mzML 0.0 0 257.17502097208416 36.30028 11235 DG22_Neg.mzML 0.0 0 483.2369168105501 36.30028 11239 DG22_Neg.mzML 123630.3 0 194.08088051776969 36.322334 11254 DG22_Neg.mzML 0.0 0 636.3138348309843 36.3534 11262 DG22_Neg.mzML 142039.58 0 641.1656046685545 36.36175 11266 DG22_Neg.mzML 0.0 0 239.1275648140292 36.346233 11296 DG22_Neg.mzML 0.0 0 339.18152477784247 36.447384 11299 DG22_Neg.mzML 0.0 0 323.2211484322016 36.47265 11307 DG22_Neg.mzML 0.0 0 360.2738107915054 36.482132 11329 DG22_Neg.mzML 110426.79 0 562.3137662083946 36.565582 11333 DG22_Neg.mzML 366384.66 0 641.1654049110597 36.565582 11337 DG22_Neg.mzML 663602.44 0 722.366861311036 36.565582 11342 DG22_Neg.mzML 0.0 0 675.3585994290186 36.587933 11343 DG22_Neg.mzML 1340630.1 0 711.3350563109104 36.57676 11344 DG22_Neg.mzML 1738487.5 0 721.3636978621797 36.57676 11348 DG22_Neg.mzML 0.0 0 221.0941135405828 36.5797 11380 DG22_Neg.mzML 67062.94 0 194.0812250209308 36.641018 11395 DG22_Neg.mzML 0.0 0 201.14841478775992 36.723915 11401 DG22_Neg.mzML 244106.88 0 677.141343210815 36.726215 11403 DG22_Neg.mzML 0.0 0 323.22154362513413 36.743767 11406 DG22_Neg.mzML 0.0 0 424.3049634823476 36.743767 11422 DG22_Neg.mzML 0.0 0 323.1864749002028 36.77045 11434 DG22_Neg.mzML 67515.1 0 699.3935014424208 36.76935 11444 DG22_Neg.mzML 132344.08 0 552.2856748800185 36.80835 11445 DG22_Neg.mzML 1043567.5 0 562.3138949759826 36.815258 11447 DG22_Neg.mzML 0.0 0 132.9226047958089 36.82135 11461 DG22_Neg.mzML 0.0 0 637.4006893375563 36.875484 11479 DG22_Neg.mzML 0.0 0 293.17523873023174 36.92555 11480 DG22_Neg.mzML 0.0 0 361.1648632646303 36.92555 11489 DG22_Neg.mzML 87220.914 0 313.2375652060672 36.93789 11499 DG22_Neg.mzML 86506.04 0 309.205658304138 36.95809 11500 DG22_Neg.mzML 150905.6 0 345.1832592701016 36.95809 11509 DG22_Neg.mzML 147191.73 0 641.1658314120363 36.973583 11517 DG22_Neg.mzML 0.0 0 311.22206573692466 36.983383 11535 DG22_Neg.mzML 0.0 0 815.4286579222695 37.0263 11551 DG22_Neg.mzML 130620.96 0 538.3126826613999 37.096466 11560 DG22_Neg.mzML 0.0 0 440.3010175420556 37.110783 11576 DG22_Neg.mzML 164504.02 0 313.2373188217744 37.1379 11578 DG22_Neg.mzML 0.0 0 381.2252539618347 37.15205 11582 DG22_Neg.mzML 0.0 0 638.3293905351051 37.15205 11607 DG22_Neg.mzML 319570.34 0 477.2848499990381 37.21655 11621 DG22_Neg.mzML 0.0 0 295.19139046297613 37.231533 11627 DG22_Neg.mzML 108464.414 0 271.19068803084605 37.23894 11636 DG22_Neg.mzML 128385.26 0 557.2975154901724 37.255615 11643 DG22_Neg.mzML 0.0 0 313.237461609574 37.261333 11664 DG22_Neg.mzML 112695.32 0 291.1955720436698 37.30794 11679 DG22_Neg.mzML 0.0 0 347.1975476592953 37.3487 11686 DG22_Neg.mzML 266412.94 0 677.3737203489316 37.36954 11687 DG22_Neg.mzML 241860.55 0 713.3494975545016 37.378582 11695 DG22_Neg.mzML 208762.39 0 564.328357754319 37.378582 11696 DG22_Neg.mzML 268885.25 0 723.3789549914684 37.388756 11698 DG22_Neg.mzML 0.0 0 194.0814401256829 37.399517 11706 DG22_Neg.mzML 0.0 0 647.3283956264919 37.398933 11720 DG22_Neg.mzML 0.0 0 311.22069382817784 37.44775 11733 DG22_Neg.mzML 0.0 0 270.2064687501034 37.44775 11752 DG22_Neg.mzML 0.0 0 699.3814904438625 37.478085 11754 DG22_Neg.mzML 0.0 0 308.2219973387761 37.478085 11791 DG22_Neg.mzML 0.0 0 449.23106539257344 37.561184 11794 DG22_Neg.mzML 109157.66 0 385.25811567300457 37.5765 11800 DG22_Neg.mzML 237801.23 0 291.1957040174102 37.588367 11803 DG22_Neg.mzML 0.0 0 323.1855743792608 37.594517 11814 DG22_Neg.mzML 144206.64 0 554.3014273702231 37.61762 11829 DG22_Neg.mzML 126109.24 0 632.3177271368539 37.61762 11830 DG22_Neg.mzML 1435340.6 0 564.3298833315207 37.628277 11856 DG22_Neg.mzML 0.0 0 347.1982125521498 37.677902 11878 DG22_Neg.mzML 128570.08 0 559.3121264141395 37.697983 11879 DG22_Neg.mzML 0.0 0 273.1500696630121 37.717335 11899 DG22_Neg.mzML 0.0 0 315.2522267936821 37.765335 11910 DG22_Neg.mzML 0.0 0 614.3307223368151 37.7575 11938 DG22_Neg.mzML 0.0 0 547.312832530171 37.839867 11943 DG22_Neg.mzML 159312.8 0 845.4505901602635 37.860985 11958 DG22_Neg.mzML 135382.19 0 433.2591804420626 37.860985 11985 DG22_Neg.mzML 712644.7 0 549.2833612785826 37.928307 11986 DG22_Neg.mzML 1245203.0 0 559.3115124509413 37.928307 11988 DG22_Neg.mzML 155647.14 0 591.3870639236575 37.90055 12011 DG22_Neg.mzML 0.0 0 540.3318310505799 38.007168 12039 DG22_Neg.mzML 769569.0 0 699.3813100971544 38.017475 12043 DG22_Neg.mzML 713405.56 0 653.3741365649333 38.020172 12044 DG22_Neg.mzML 551823.2 0 689.3510119526898 38.020172 12065 DG22_Neg.mzML 0.0 0 255.19656471702723 38.048782 12075 DG22_Neg.mzML 0.0 0 285.2071022004708 38.048782 12076 DG22_Neg.mzML 0.0 0 315.25322685248136 38.057922 12121 DG22_Neg.mzML 0.0 0 293.19495058185345 38.129566 12123 DG22_Neg.mzML 2235727.2 0 293.2106111514739 38.13247 12133 DG22_Neg.mzML 0.0 0 609.4099114740752 38.144867 12144 DG22_Neg.mzML 0.0 0 460.3272125181774 38.1733 12146 DG22_Neg.mzML 175782.67 0 361.19852419596873 38.151592 12155 DG22_Neg.mzML 227817.75 0 591.3888448573481 38.158318 12169 DG22_Neg.mzML 0.0 0 417.299698431966 38.18305 12193 DG22_Neg.mzML 0.0 0 313.2369440719092 38.218266 12229 DG22_Neg.mzML 161222.55 0 530.3014612299772 38.291218 12230 DG22_Neg.mzML 1567517.2 0 540.3297335507594 38.291218 12232 DG22_Neg.mzML 0.0 0 608.3175476075553 38.299065 12310 DG22_Neg.mzML 283828.6 0 679.3911091748953 38.422447 12312 DG22_Neg.mzML 290120.25 0 725.3964169065707 38.422447 12352 DG22_Neg.mzML 152434.94 0 293.2105897989631 38.507 12366 DG22_Neg.mzML 158902.45 0 271.2266928021555 38.516758 12371 DG22_Neg.mzML 0.0 0 405.2742490754071 38.5303 12437 DG22_Neg.mzML 360223.1 0 311.2221957574548 38.6263 12451 DG22_Neg.mzML 0.0 0 329.1883705116985 38.64685 12452 DG22_Neg.mzML 0.0 0 293.21051076878825 38.64685 12469 DG22_Neg.mzML 146167.11 0 577.2692343702805 38.66355 12479 DG22_Neg.mzML 0.0 0 687.5747741941291 38.66655 12490 DG22_Neg.mzML 85989.445 0 556.3192741726383 38.700565 12491 DG22_Neg.mzML 775254.06 0 566.3462074536867 38.692215 12517 DG22_Neg.mzML 0.0 0 579.3380710887553 38.761234 12611 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1988 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1994 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1995 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1999 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2003 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2005 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2006 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2009 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2010 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2011 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2012 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=2013 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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561.5068 210.0 799.918 110.0 END IONS BEGIN IONS SCANS=3279 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3281 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3282 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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219.0309 1400.0 220.0373 130.0 229.0903 180.0 END IONS BEGIN IONS SCANS=3392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3394 PEPMASS=411.1323 CHARGE=-1 COLLISION_ENERGY=0.0 101.0218 660.0 101.0602 110.0 115.0411 100.0 132.9959 270.0 157.0307 240.0 160.9949 300.0 162.9961 160.0 175.0429 840.0 176.0444 550.0 191.0583 170.0 219.0306 4500.0 220.0279 520.0 220.206 110.0 221.0309 400.0 273.111 120.0 303.0487 110.0 317.0782 190.0 327.8071 130.0 460.1579 100.0 END IONS BEGIN IONS SCANS=3395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3400 PEPMASS=363.1469 CHARGE=-1 COLLISION_ENERGY=0.0 67.0214 320.0 71.0164 230.0 81.0327 380.0 85.0293 200.0 93.0341 1000.0 93.0645 150.0 111.0441 320.0 115.0371 440.0 127.0207 2700.0 134.0366 1800.0 135.0442 760.0 141.0339 930.0 153.0715 140.0 159.0381 120.0 160.0167 150.0 173.0507 160.0 179.0356 150.0 191.0519 740.0 203.0734 800.0 203.1153 200.0 211.0444 130.0 225.0542 320.0 239.0642 110.0 287.1052 200.0 301.0972 240.0 301.1704 110.0 END IONS BEGIN IONS SCANS=3401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3408 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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272.9701 100.0 275.085 160.0 280.4823 180.0 285.5095 140.0 313.0614 150.0 329.14 130.0 370.0834 110.0 431.0479 170.0 522.2011 160.0 533.2378 130.0 535.0521 110.0 END IONS BEGIN IONS SCANS=3422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3427 PEPMASS=165.0182 CHARGE=-1 COLLISION_ENERGY=0.0 78.9616 160.0 855.8767 260.0 END IONS BEGIN IONS SCANS=3428 PEPMASS=121.0289 CHARGE=-1 COLLISION_ENERGY=0.0 74.9313 120.0 91.0178 230.0 92.0254 6700.0 92.1118 140.0 93.027 230.0 93.0337 1000.0 214.425 160.0 224.0255 130.0 239.5837 140.0 301.3941 120.0 417.5807 140.0 485.6943 110.0 END IONS BEGIN IONS SCANS=3429 PEPMASS=367.1025 CHARGE=-1 COLLISION_ENERGY=0.0 79.053 270.0 79.0584 180.0 81.033 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152.0027 220.0 181.9189 250.0 190.0535 140.0 204.0424 170.0 214.0699 180.0 223.1125 130.0 242.9129 100.0 285.0389 190.0 287.0471 450.0 287.0958 150.0 288.9253 130.0 297.0474 250.0 300.421 100.0 304.0217 110.0 308.9887 140.0 321.0233 220.0 323.1085 100.0 358.1205 140.0 476.987 130.0 711.6907 100.0 END IONS BEGIN IONS SCANS=3532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3541 PEPMASS=0.0 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110.0 335.1986 150.0 377.0047 140.0 459.1096 100.0 658.5929 110.0 740.6898 200.0 END IONS BEGIN IONS SCANS=3926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3931 PEPMASS=477.1247 CHARGE=-1 COLLISION_ENERGY=0.0 97.03 240.0 102.932 160.0 109.0323 130.0 125.025 980.0 151.0034 860.0 153.0107 360.0 169.0166 100.0 179.0376 110.0 192.9985 250.0 199.1256 150.0 211.0211 130.0 END IONS BEGIN IONS SCANS=3932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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116.0488 290.0 117.0504 250.0 151.9537 170.0 707.2822 100.0 END IONS BEGIN IONS SCANS=3978 PEPMASS=163.039 CHARGE=-1 COLLISION_ENERGY=0.0 91.0201 290.0 93.0328 380.0 119.0522 130.0 END IONS BEGIN IONS SCANS=3979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3988 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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401.1652 110.0 402.9443 150.0 403.0012 160.0 404.1802 110.0 469.0758 260.0 473.664 270.0 END IONS BEGIN IONS SCANS=4021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4022 PEPMASS=651.1094 CHARGE=-1 COLLISION_ENERGY=0.0 82.2731 110.0 116.9251 240.0 196.0469 210.0 214.0705 110.0 221.8119 100.0 285.0392 9800.0 285.1777 200.0 285.1959 200.0 285.6289 170.0 286.0439 2100.0 287.0417 410.0 303.0138 100.0 311.0619 120.0 319.0473 130.0 587.3142 130.0 593.1531 2200.0 594.1533 140.0 594.1658 270.0 595.1481 380.0 615.1241 180.0 END IONS BEGIN IONS SCANS=4023 PEPMASS=661.1367 CHARGE=-1 COLLISION_ENERGY=0.0 60.02 120.0 151.9992 110.0 159.1656 190.0 198.0328 160.0 285.0391 3200.0 285.1442 180.0 285.1879 130.0 286.0492 490.0 325.018 260.0 367.0397 150.0 391.0294 120.0 395.0465 190.0 405.5583 150.0 416.2156 100.0 528.0252 100.0 573.294 260.0 593.1596 360.0 594.1453 390.0 615.1186 150.0 617.1349 120.0 END IONS BEGIN IONS SCANS=4024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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475.0861 140.0 484.4705 100.0 488.6546 100.0 508.256 290.0 528.0645 120.0 533.0951 180.0 650.2712 120.0 660.9775 180.0 665.185 120.0 674.6117 120.0 684.8818 120.0 685.0558 120.0 702.3217 100.0 706.5446 120.0 745.2362 130.0 751.8862 130.0 756.8963 120.0 761.0534 100.0 871.3192 110.0 877.0309 160.0 885.1292 130.0 908.5988 170.0 915.7089 180.0 950.2557 110.0 965.3341 150.0 977.5292 150.0 END IONS BEGIN IONS SCANS=4297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4299 PEPMASS=589.1848 CHARGE=-1 COLLISION_ENERGY=0.0 90.0302 120.0 150.0361 190.0 172.0479 120.0 179.0538 200.0 279.0551 160.0 341.1281 120.0 363.0828 110.0 367.0367 140.0 371.1388 180.0 374.4686 130.0 412.9705 120.0 431.1239 240.0 499.0133 110.0 521.2 200.0 543.1817 160.0 548.9713 170.0 551.2022 150.0 552.205 110.0 553.2253 130.0 END IONS BEGIN IONS SCANS=4300 PEPMASS=551.2103 CHARGE=-1 COLLISION_ENERGY=0.0 71.0131 270.0 89.027 170.0 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271.0768 120.0 282.0122 120.0 283.0199 340.0 300.0275 2100.0 301.0306 870.0 302.0286 140.0 303.0422 230.0 311.0556 210.0 345.0449 120.0 351.0195 520.0 357.0596 270.0 367.9397 200.0 377.032 120.0 384.9612 270.0 387.9915 100.0 415.2299 140.0 428.9391 140.0 484.996 150.0 487.0686 110.0 514.0601 200.0 546.0469 180.0 END IONS BEGIN IONS SCANS=4338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4339 PEPMASS=395.1373 CHARGE=-1 COLLISION_ENERGY=0.0 135.0422 100.0 159.9639 100.0 161.0781 650.0 216.9503 110.0 219.0311 600.0 221.0342 150.0 301.1192 100.0 351.1535 150.0 363.1071 3300.0 363.2798 140.0 364.1083 930.0 365.1163 260.0 668.1057 160.0 END IONS BEGIN IONS SCANS=4340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4344 PEPMASS=0.0 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130.0 240.0394 190.0 243.1245 200.0 266.0536 160.0 267.0648 980.0 269.0796 390.0 277.0535 140.0 293.0385 200.0 295.0573 500.0 313.0603 120.0 339.0459 130.0 END IONS BEGIN IONS SCANS=4412 PEPMASS=635.0697 CHARGE=-1 COLLISION_ENERGY=0.0 72.9948 220.0 79.9563 260.0 96.96 9500.0 97.013 150.0 97.0507 210.0 98.9539 410.0 123.0484 140.0 135.0424 340.0 142.8742 150.0 158.034 110.0 159.0467 120.0 181.0481 120.0 190.9449 160.0 197.0466 190.0 197.0569 170.0 219.0248 180.0 229.0074 310.0 229.023 130.0 231.0153 240.0 269.0894 100.0 295.0575 460.0 295.0684 190.0 303.1088 140.0 313.0676 400.0 335.0534 470.0 339.0388 230.0 339.0581 330.0 339.0663 170.0 364.0016 110.0 365.9834 430.0 368.5182 140.0 396.9773 240.0 405.9568 150.0 411.1383 100.0 414.0158 170.0 443.035 150.0 447.1511 190.0 450.0155 150.0 470.0077 220.0 472.0317 200.0 484.9075 100.0 489.0205 160.0 511.0599 100.0 518.1872 140.0 549.9701 150.0 567.4552 140.0 591.0215 120.0 792.1013 140.0 946.0648 100.0 END IONS BEGIN IONS SCANS=4413 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135.04 410.0 135.0648 180.0 159.0471 110.0 193.0498 240.0 289.0494 120.0 291.0609 230.0 335.0516 620.0 336.039 140.0 339.0278 120.0 END IONS BEGIN IONS SCANS=4446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4449 PEPMASS=623.1963 CHARGE=-1 COLLISION_ENERGY=0.0 69.0331 120.0 71.0136 500.0 85.0295 330.0 89.0259 1000.0 113.0214 1200.0 113.0261 480.0 132.0146 270.0 133.0284 1600.0 135.0425 1600.0 136.0485 240.0 151.0033 150.0 161.0226 16000.0 161.1055 330.0 161.138 250.0 162.0254 1500.0 179.0422 270.0 207.1006 130.0 240.927 120.0 271.0179 180.0 285.0432 250.0 288.008 180.0 295.5592 200.0 297.0063 320.0 297.085 200.0 311.0517 250.0 315.0192 100.0 315.1035 140.0 315.1109 110.0 316.0226 180.0 357.0118 140.0 378.055 110.0 403.0034 160.0 449.0376 210.0 461.1629 1700.0 461.1704 240.0 462.164 240.0 462.1803 290.0 463.1493 160.0 498.2295 170.0 517.0583 170.0 537.0826 130.0 579.0469 110.0 985.4486 110.0 END IONS BEGIN IONS SCANS=4450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4462 PEPMASS=0.0 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SCANS=4476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4477 PEPMASS=521.2002 CHARGE=-1 COLLISION_ENERGY=0.0 60.013 120.0 71.0137 670.0 72.9963 120.0 89.0244 2200.0 89.0536 220.0 95.0092 160.0 101.0228 430.0 113.0255 200.0 119.0299 360.0 120.0313 120.0 143.0336 260.0 149.0389 210.0 157.0682 110.0 161.0419 540.0 179.048 290.0 205.0894 150.0 236.1264 130.0 253.0518 120.0 266.0474 120.0 267.0594 160.0 281.0705 130.0 283.0832 120.0 309.0283 120.0 322.0372 170.0 329.1269 150.0 341.1312 440.0 341.1959 120.0 343.1606 120.0 432.6967 120.0 491.1669 180.0 END IONS BEGIN IONS SCANS=4478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4483 PEPMASS=0.0 CHARGE=1 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110.0 196.9701 150.0 267.0658 140.0 285.0391 5800.0 285.5853 100.0 286.0393 1100.0 367.0313 170.0 410.0487 180.0 426.0907 130.0 559.1891 120.0 593.1514 1600.0 594.1479 550.0 595.9724 120.0 596.1548 150.0 END IONS BEGIN IONS SCANS=4492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4499 PEPMASS=557.1764 CHARGE=-1 COLLISION_ENERGY=0.0 135.0432 140.0 161.054 140.0 179.0367 220.0 241.1089 100.0 266.0493 180.0 291.0653 260.0 297.0864 120.0 335.0447 160.0 336.0542 110.0 360.0878 150.0 END IONS BEGIN IONS SCANS=4500 PEPMASS=0.0 CHARGE=1 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108.0177 100.0 118.8975 130.0 121.0303 220.0 136.0195 160.0 148.0173 110.0 151.0004 1900.0 151.0316 430.0 163.0026 820.0 178.9953 500.0 188.0391 250.0 191.0262 270.0 211.0201 120.0 226.0228 150.0 227.0314 440.0 233.04 200.0 243.0288 540.0 245.0426 130.0 255.0261 1400.0 255.0342 1000.0 256.0294 470.0 257.0469 210.0 271.021 6200.0 272.0277 1500.0 300.0248 39000.0 300.1825 1600.0 301.0327 19000.0 301.1894 330.0 302.0357 3500.0 303.0338 700.0 351.018 230.0 426.0409 180.0 483.3163 260.0 501.0386 260.0 503.0176 110.0 560.0843 210.0 738.048 140.0 END IONS BEGIN IONS SCANS=4527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4531 PEPMASS=181.0122 CHARGE=-1 COLLISION_ENERGY=0.0 65.0408 430.0 88.6912 150.0 92.9932 270.0 93.0339 4500.0 93.082 160.0 94.0392 420.0 129.7347 280.0 136.9188 200.0 323.0813 150.0 END IONS BEGIN IONS SCANS=4532 PEPMASS=350.1227 CHARGE=-1 COLLISION_ENERGY=0.0 74.027 860.0 79.0637 120.0 88.0398 320.0 100.009 200.0 112.9082 130.0 117.0332 250.0 119.0487 340.0 121.0691 160.0 145.0233 210.0 223.1789 140.0 END IONS BEGIN IONS SCANS=4533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4536 PEPMASS=607.1272 CHARGE=-1 COLLISION_ENERGY=0.0 63.0224 420.0 65.003 1400.0 81.0361 180.0 83.0121 420.0 84.9917 150.0 91.0172 180.0 107.0148 2200.0 108.0183 710.0 109.0289 710.0 121.0273 2100.0 125.0238 850.0 135.0068 960.0 151.0013 23000.0 152.0074 1600.0 163.0019 2300.0 178.9962 21000.0 179.999 1200.0 190.0246 1400.0 226.0255 1200.0 227.0309 1900.0 229.0467 1000.0 243.0256 7800.0 244.0357 950.0 245.0438 1100.0 255.0277 29000.0 256.0296 4400.0 271.0221 58000.0 272.0276 12000.0 273.0376 4200.0 299.0179 4300.0 300.0243 490000.0 300.18 25000.0 301.0314 270000.0 302.0358 32000.0 303.0365 2500.0 343.0429 5100.0 353.027 240.0 355.0386 590.0 355.0857 190.0 362.1754 120.0 373.0559 190.0 393.0885 140.0 401.0265 120.0 414.1808 160.0 422.8211 170.0 426.4386 120.0 439.1141 140.0 446.1809 160.0 457.1298 560.0 463.0817 620.0 464.0739 260.0 465.1122 170.0 473.1256 190.0 483.1115 210.0 521.201 170.0 547.1251 160.0 565.164 210.0 684.8121 130.0 714.7731 110.0 760.0988 110.0 805.0617 100.0 959.4176 260.0 END IONS BEGIN IONS SCANS=4537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4551 PEPMASS=609.1436 CHARGE=-1 COLLISION_ENERGY=0.0 89.0258 270.0 89.0508 110.0 94.9207 140.0 96.9645 170.0 137.6345 120.0 156.0233 110.0 162.8326 120.0 166.8295 150.0 208.9383 160.0 261.0326 110.0 271.0163 110.0 300.0259 280.0 301.0372 290.0 306.103 230.0 338.0626 150.0 343.0533 140.0 384.9855 190.0 390.1459 100.0 425.9499 280.0 455.0058 120.0 514.9521 190.0 531.0648 130.0 531.1492 110.0 543.0215 110.0 557.673 100.0 573.9436 130.0 575.1046 100.0 END IONS BEGIN IONS SCANS=4552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4557 PEPMASS=677.1269 CHARGE=-1 COLLISION_ENERGY=0.0 88.992 110.0 150.9987 530.0 167.0263 150.0 227.0461 170.0 271.0276 280.0 272.0198 180.0 281.9561 180.0 300.023 5200.0 301.031 3700.0 301.1136 180.0 302.0271 530.0 302.0362 300.0 341.0135 220.0 368.0184 210.0 384.0121 200.0 395.0136 140.0 395.0349 210.0 409.0298 100.0 424.0508 130.0 609.1386 1500.0 609.2182 100.0 610.1461 530.0 640.2324 190.0 823.8788 130.0 END IONS BEGIN IONS SCANS=4558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4566 PEPMASS=667.1027 CHARGE=-1 COLLISION_ENERGY=0.0 151.0007 520.0 167.0615 140.0 255.0361 290.0 259.0458 200.0 270.9487 110.0 271.0253 130.0 278.9266 120.0 300.0271 2100.0 301.037 1600.0 301.2056 120.0 301.877 120.0 302.0384 390.0 313.0694 210.0 383.0213 180.0 515.0071 100.0 609.1431 1100.0 610.1365 610.0 END IONS BEGIN IONS SCANS=4567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4574 PEPMASS=407.182 CHARGE=-1 COLLISION_ENERGY=0.0 149.0563 140.0 159.9512 170.0 225.1154 170.0 END IONS BEGIN IONS SCANS=4575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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447.0903 31000.0 447.2843 590.0 448.0942 6500.0 448.2742 180.0 449.0986 1800.0 451.0951 130.0 509.3462 100.0 620.9286 150.0 653.6014 150.0 669.0502 160.0 699.0724 100.0 700.1021 160.0 710.218 130.0 736.9979 250.0 737.128 290.0 831.1676 150.0 950.5492 110.0 END IONS BEGIN IONS SCANS=4675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4678 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4680 PEPMASS=407.1786 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 300.0 96.9932 150.0 113.0222 190.0 161.0225 230.0 164.0316 120.0 183.0892 100.0 191.0521 120.0 198.9779 110.0 263.102 200.0 519.8937 120.0 END IONS BEGIN IONS SCANS=4681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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135.0435 3600.0 135.1514 250.0 136.0471 400.0 148.0425 120.0 165.0652 150.0 207.1128 410.0 226.8454 120.0 235.8537 170.0 237.0548 230.0 249.1244 380.0 250.1239 190.0 263.0418 110.0 266.0773 150.0 275.0904 100.0 295.3127 110.0 609.7222 120.0 END IONS BEGIN IONS SCANS=4691 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4701 PEPMASS=555.163 CHARGE=-1 COLLISION_ENERGY=0.0 161.0282 150.0 335.0628 160.0 359.0567 120.0 376.0855 130.0 451.1138 130.0 491.1714 160.0 503.1777 240.0 521.1196 200.0 817.0735 130.0 END IONS BEGIN IONS SCANS=4702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4703 PEPMASS=417.2106 CHARGE=-1 COLLISION_ENERGY=0.0 73.0274 250.0 105.0199 200.0 121.031 180.0 133.4413 110.0 177.0148 120.0 212.2625 130.0 216.1046 160.0 226.822 110.0 245.0858 130.0 END IONS BEGIN IONS SCANS=4704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4705 PEPMASS=510.087 CHARGE=-1 COLLISION_ENERGY=0.0 93.0297 110.0 151.0003 160.0 171.0283 100.0 191.0527 140.0 205.9273 110.0 217.0212 190.0 231.9719 220.0 256.0188 100.0 284.0294 1300.0 285.0361 2100.0 286.0365 470.0 286.094 100.0 327.0316 150.0 419.9472 120.0 449.0918 250.0 END IONS BEGIN IONS SCANS=4706 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4710 PEPMASS=255.8205 CHARGE=-1 COLLISION_ENERGY=0.0 71.0156 110.0 96.9604 110.0 98.5453 240.0 128.0481 130.0 135.0465 160.0 155.1063 190.0 156.0916 170.0 166.8608 290.0 171.0966 310.0 184.0754 180.0 186.8702 180.0 201.1288 160.0 201.8355 2400.0 202.8307 460.0 203.8289 1700.0 219.8429 2000.0 221.8405 1100.0 856.543 110.0 END IONS BEGIN IONS SCANS=4711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4716 PEPMASS=195.8093 CHARGE=-1 COLLISION_ENERGY=0.0 76.9677 140.0 88.93 200.0 108.022 120.0 162.8363 100.0 166.0955 160.0 250.4826 120.0 304.6207 120.0 END IONS BEGIN IONS SCANS=4717 PEPMASS=197.8064 CHARGE=-1 COLLISION_ENERGY=0.0 78.9581 140.0 96.9587 240.0 116.0496 110.0 162.8355 110.0 164.8277 200.0 END IONS BEGIN IONS SCANS=4718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4725 PEPMASS=391.1029 CHARGE=-1 COLLISION_ENERGY=0.0 61.9855 150.0 72.993 1500.0 73.023 120.0 90.0399 250.0 109.0274 150.0 124.0465 270.0 124.0908 140.0 133.0263 590.0 134.0294 200.0 135.0459 760.0 161.0223 8400.0 162.0257 510.0 162.0317 320.0 179.0311 1700.0 197.0414 1400.0 197.0468 980.0 203.0395 160.0 203.2138 120.0 243.8397 130.0 244.0264 190.0 254.8289 110.0 259.0698 200.0 324.1803 180.0 331.0349 120.0 359.0675 200.0 359.1225 100.0 END IONS BEGIN IONS SCANS=4726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4728 PEPMASS=144.0444 CHARGE=-1 COLLISION_ENERGY=0.0 88.0299 170.0 89.024 120.0 115.0394 950.0 329.3576 180.0 END IONS BEGIN IONS SCANS=4729 PEPMASS=305.1052 CHARGE=-1 COLLISION_ENERGY=0.0 64.0343 120.0 86.9712 140.0 96.9596 16000.0 96.9903 410.0 97.0107 310.0 97.0493 690.0 123.0782 270.0 127.8622 160.0 134.856 170.0 142.515 210.0 145.0265 170.0 147.078 130.0 161.9175 150.0 167.8737 200.0 170.8766 410.0 172.0316 150.0 176.9023 200.0 199.1502 170.0 205.0772 110.0 230.8232 160.0 236.7197 120.0 238.8785 210.0 240.1247 150.0 245.0422 110.0 250.8305 120.0 257.88 110.0 263.1738 110.0 894.2976 170.0 END IONS BEGIN IONS SCANS=4730 PEPMASS=0.0 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175.0012 100.0 177.0102 100.0 271.0611 1800.0 272.0622 590.0 349.0539 110.0 375.1311 180.0 397.0102 210.0 500.9211 150.0 531.2551 110.0 548.201 160.0 579.1703 1900.0 579.3026 880.0 579.4497 110.0 580.1728 780.0 581.3069 130.0 737.9139 100.0 END IONS BEGIN IONS SCANS=4774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4777 PEPMASS=809.2452 CHARGE=-1 COLLISION_ENERGY=0.0 89.0274 260.0 92.9248 150.0 101.1397 100.0 119.0481 280.0 145.0232 160.0 145.0317 170.0 160.0166 280.0 163.0393 240.0 175.0382 5300.0 175.1545 200.0 193.0484 200.0 193.0528 270.0 205.0412 100.0 235.0633 130.0 265.0715 120.0 279.0568 110.0 286.1069 200.0 307.0757 210.0 310.0919 110.0 313.0595 110.0 337.0828 170.0 337.0908 100.0 361.1167 100.0 447.089 190.0 469.1285 150.0 470.1213 210.0 487.14 1700.0 488.141 280.0 488.1548 270.0 489.1413 140.0 507.8565 100.0 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510.0 146.0356 250.0 160.015 560.0 160.0213 510.0 163.0365 1100.0 175.0386 8200.0 176.0453 550.0 193.0483 260.0 203.0723 110.0 204.0728 130.0 206.0477 230.0 219.0903 160.0 225.0264 150.0 231.0582 140.0 265.0749 420.0 265.4324 110.0 269.1666 110.0 307.076 620.0 309.0463 140.0 318.9797 120.0 321.0422 160.0 324.9928 260.0 337.0915 250.0 399.036 110.0 469.1383 270.0 487.1433 2400.0 487.815 100.0 488.1564 420.0 502.1269 110.0 510.1925 110.0 517.1534 250.0 517.1657 230.0 524.3221 200.0 549.0694 100.0 619.8479 160.0 663.1961 1400.0 664.1872 520.0 664.199 230.0 665.1993 220.0 673.0353 180.0 700.1129 100.0 END IONS BEGIN IONS SCANS=4825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4826 PEPMASS=505.0497 CHARGE=-1 COLLISION_ENERGY=0.0 160.1006 140.0 179.1297 140.0 186.8743 100.0 187.0391 190.0 200.0524 120.0 201.1111 110.0 225.8023 100.0 226.1359 260.0 243.0436 100.0 284.0312 4000.0 285.0384 14000.0 285.1199 390.0 285.1459 480.0 285.1933 500.0 286.0395 2600.0 335.9685 110.0 447.0863 2300.0 447.1782 130.0 448.0936 110.0 448.1285 170.0 END IONS BEGIN IONS SCANS=4827 PEPMASS=510.0862 CHARGE=-1 COLLISION_ENERGY=0.0 70.5441 160.0 150.9956 200.0 163.0319 160.0 165.0494 180.0 225.0083 130.0 228.4696 110.0 233.0615 110.0 283.0138 350.0 285.0386 1900.0 286.0415 380.0 296.0197 280.0 300.1006 260.0 309.844 130.0 326.0236 100.0 392.5102 140.0 447.0902 9400.0 447.1897 270.0 447.2052 240.0 447.2807 310.0 448.0914 2600.0 449.092 670.0 475.1727 110.0 482.2147 100.0 END IONS BEGIN IONS SCANS=4828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4834 PEPMASS=579.1774 CHARGE=-1 COLLISION_ENERGY=0.0 71.0106 120.0 93.0354 140.0 100.9271 160.0 101.0241 210.0 119.0437 290.0 124.0119 110.0 135.0424 130.0 137.026 160.0 151.0007 820.0 151.0296 340.0 166.0222 370.0 179.0291 220.0 181.0468 400.0 193.0079 250.0 208.9564 150.0 229.0915 130.0 271.0578 1300.0 271.1514 110.0 271.7294 110.0 272.0614 150.0 283.0868 120.0 312.8217 190.0 331.073 140.0 337.0197 130.0 402.1242 160.0 610.8082 120.0 END IONS BEGIN IONS SCANS=4835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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287.041 500.0 END IONS BEGIN IONS SCANS=4849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4850 PEPMASS=483.0674 CHARGE=-1 COLLISION_ENERGY=0.0 133.0261 130.0 142.9503 100.0 151.0029 250.0 171.0403 100.0 188.0367 160.0 191.0336 160.0 199.0345 110.0 212.0405 110.0 284.0316 4900.0 285.0383 14000.0 285.1893 470.0 286.0419 1900.0 286.7969 140.0 287.0481 150.0 327.0416 140.0 447.0904 1800.0 447.1646 120.0 448.095 230.0 END IONS BEGIN IONS SCANS=4851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4853 PEPMASS=515.0772 CHARGE=-1 COLLISION_ENERGY=0.0 93.0338 230.0 105.0296 130.0 132.0472 110.0 144.9616 110.0 207.2466 100.0 255.0526 180.0 284.0315 1600.0 285.0398 6900.0 285.1942 140.0 286.0391 890.0 287.0343 370.0 301.1301 100.0 303.0846 230.0 326.0404 120.0 328.0337 120.0 351.0394 160.0 369.0262 170.0 375.9787 110.0 447.0832 800.0 448.0978 250.0 450.1149 190.0 688.0081 100.0 END 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4869 PEPMASS=505.0496 CHARGE=-1 COLLISION_ENERGY=0.0 121.0292 120.0 133.0255 120.0 284.0347 1800.0 285.0394 5300.0 285.4286 120.0 285.7249 150.0 285.7779 120.0 286.0439 1000.0 328.0521 100.0 341.0118 150.0 447.0824 230.0 447.1374 130.0 448.1397 120.0 END IONS BEGIN IONS SCANS=4870 PEPMASS=0.0 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4926 PEPMASS=305.1052 CHARGE=-1 COLLISION_ENERGY=0.0 79.9584 250.0 96.9596 4100.0 97.0474 210.0 97.075 100.0 98.9563 260.0 106.0654 200.0 136.92 470.0 136.9489 140.0 167.8754 110.0 201.5898 110.0 634.9992 120.0 END IONS BEGIN IONS SCANS=4927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4934 PEPMASS=0.0 CHARGE=1 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PEPMASS=369.1448 CHARGE=-1 COLLISION_ENERGY=0.0 72.9962 140.0 79.0537 210.0 91.0593 200.0 93.0341 1900.0 94.0409 190.0 96.9571 260.0 108.0544 300.0 118.0259 290.0 134.039 260.0 135.044 13000.0 135.1512 330.0 136.0461 2000.0 161.0193 170.0 167.0672 180.0 175.071 210.0 177.0454 270.0 183.9242 150.0 190.0516 240.0 207.1149 630.0 233.0938 1100.0 246.0189 130.0 248.2158 160.0 249.1145 420.0 249.1234 1800.0 250.1198 380.0 265.0505 110.0 266.0604 290.0 267.0648 130.0 275.101 230.0 324.9495 110.0 335.1629 270.0 337.0487 100.0 END IONS BEGIN IONS SCANS=4949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4950 PEPMASS=463.0876 CHARGE=-1 COLLISION_ENERGY=0.0 69.0332 180.0 79.9577 170.0 151.002 420.0 167.0578 150.0 194.8846 100.0 195.0087 120.0 214.0075 170.0 243.0274 290.0 255.0243 240.0 256.0251 200.0 271.0199 1000.0 272.0199 630.0 273.0238 210.0 299.0136 190.0 300.0242 940.0 301.0274 890.0 301.0953 110.0 302.0215 150.0 303.0264 270.0 341.0005 130.0 END IONS BEGIN IONS 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END IONS BEGIN IONS SCANS=4960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4964 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4965 PEPMASS=369.1444 CHARGE=-1 COLLISION_ENERGY=0.0 80.0618 110.0 93.0328 910.0 93.0849 110.0 94.0348 150.0 107.0507 310.0 134.0365 380.0 135.043 3800.0 136.0431 450.0 190.0885 330.0 197.0579 170.0 207.1201 160.0 233.0866 110.0 249.1303 110.0 END IONS BEGIN IONS SCANS=4966 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4970 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4971 PEPMASS=391.1018 CHARGE=-1 COLLISION_ENERGY=0.0 72.0497 150.0 72.9943 1500.0 93.0375 110.0 107.0468 310.0 123.0403 240.0 123.0456 300.0 133.0291 1400.0 134.0347 250.0 135.0437 2200.0 161.0234 4500.0 162.0199 190.0 162.0262 350.0 179.0304 180.0 179.0369 370.0 180.0386 200.0 201.1071 160.0 212.1201 110.0 END IONS BEGIN IONS SCANS=4972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4974 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4980 PEPMASS=463.0873 CHARGE=-1 COLLISION_ENERGY=0.0 65.005 120.0 112.9984 170.0 151.0038 380.0 175.0064 110.0 178.9947 370.0 197.0539 130.0 243.0251 250.0 255.0265 800.0 255.0915 140.0 271.0234 840.0 272.0272 480.0 273.0261 210.0 287.8041 130.0 300.0267 1700.0 300.1058 130.0 300.1511 140.0 301.0339 500.0 302.0385 130.0 302.5 130.0 END IONS BEGIN IONS SCANS=4981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4986 PEPMASS=785.2477 CHARGE=-1 COLLISION_ENERGY=0.0 71.0124 110.0 89.0216 200.0 113.0221 770.0 161.0248 1500.0 162.0236 110.0 179.035 180.0 305.0598 120.0 336.4161 140.0 386.0953 210.0 451.0467 110.0 461.1614 310.0 462.1708 160.0 555.0044 160.0 588.9276 120.0 609.1238 120.0 610.8097 110.0 623.2099 1100.0 623.2235 320.0 624.2132 460.0 639.9656 190.0 667.152 100.0 696.9991 100.0 747.1991 120.0 END IONS BEGIN IONS SCANS=4987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4988 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4994 PEPMASS=347.151 CHARGE=-1 COLLISION_ENERGY=0.0 72.0552 110.0 83.0295 220.0 97.0654 200.0 127.0209 1000.0 141.0349 450.0 143.0525 1700.0 143.1147 150.0 144.0514 170.0 146.0296 250.0 152.0401 250.0 187.0817 150.0 271.1145 100.0 285.1232 160.0 287.0959 270.0 END IONS BEGIN IONS SCANS=4995 PEPMASS=305.105 CHARGE=-1 COLLISION_ENERGY=0.0 79.9592 260.0 86.9761 360.0 96.9608 18000.0 97.0483 610.0 97.0716 340.0 98.9566 880.0 105.02 210.0 109.0345 120.0 117.0328 110.0 130.9646 440.0 170.8912 180.0 174.9512 120.0 177.8464 140.0 191.0659 130.0 193.0823 130.0 234.0179 150.0 386.3745 170.0 414.8958 100.0 451.6903 170.0 END IONS BEGIN IONS SCANS=4996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4999 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5003 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5005 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5006 PEPMASS=455.1028 CHARGE=-1 COLLISION_ENERGY=0.0 79.9567 490.0 81.9513 240.0 87.0118 110.0 88.0381 140.0 95.9506 460.0 96.9605 1500.0 109.9617 260.0 136.984 140.0 137.0238 110.0 171.1048 160.0 218.9847 140.0 285.0432 190.0 361.1137 160.0 398.0066 220.0 END IONS BEGIN IONS SCANS=5007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5009 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5010 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5011 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5012 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5013 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5014 PEPMASS=353.1502 CHARGE=-1 COLLISION_ENERGY=0.0 84.0532 110.0 93.0331 1600.0 93.1216 160.0 107.0464 230.0 119.0504 2100.0 119.1474 120.0 120.049 140.0 121.0253 140.0 136.0431 110.0 163.8837 210.0 183.0448 140.0 188.0959 150.0 234.1302 110.0 END IONS BEGIN IONS SCANS=5015 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5016 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5017 PEPMASS=313.1165 CHARGE=-1 COLLISION_ENERGY=0.0 94.0674 360.0 104.0539 200.0 105.0541 150.0 107.0358 760.0 107.0643 490.0 122.0627 1100.0 148.0423 440.0 152.0708 110.0 160.0387 350.0 201.8276 110.0 207.0226 110.0 225.8691 110.0 END IONS BEGIN IONS SCANS=5018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5019 PEPMASS=389.1273 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 230.0 73.0356 160.0 75.0053 150.0 93.0344 3500.0 94.0367 220.0 96.9578 160.0 105.0343 280.0 118.0335 280.0 119.0504 7100.0 120.0514 690.0 133.0264 540.0 135.043 900.0 150.0284 440.0 161.0207 1600.0 172.0798 270.0 179.0261 220.0 182.0313 230.0 190.0865 590.0 201.0451 220.0 205.0991 170.0 207.1096 310.0 216.103 260.0 233.1187 180.0 233.1274 880.0 268.0391 230.0 270.1415 170.0 274.0954 140.0 275.0115 100.0 304.0888 170.0 745.733 190.0 END IONS BEGIN IONS SCANS=5020 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5022 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5023 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5027 PEPMASS=391.1027 CHARGE=-1 COLLISION_ENERGY=0.0 72.9899 220.0 134.042 140.0 135.0449 250.0 160.9071 190.0 161.0221 2400.0 161.1684 190.0 162.0222 420.0 179.0371 540.0 197.0488 750.0 233.062 100.0 301.8102 240.0 307.8379 110.0 311.1604 110.0 336.0281 110.0 359.0884 200.0 360.0775 140.0 END IONS BEGIN IONS SCANS=5028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5029 PEPMASS=0.0 CHARGE=1 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IONS SCANS=5040 PEPMASS=615.1474 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 360.0 93.0348 340.0 93.0395 210.0 97.0311 170.0 109.0282 180.0 118.4496 140.0 119.0482 600.0 128.7932 170.0 135.0472 250.0 149.0616 150.0 151.0031 2300.0 171.0772 270.0 175.0033 450.0 180.029 120.0 191.0467 140.0 193.0113 250.0 227.069 240.0 229.0442 150.0 238.9763 150.0 246.9407 120.0 271.06 14000.0 271.1324 320.0 271.2056 410.0 272.0626 3900.0 272.0737 270.0 295.0541 260.0 308.8834 130.0 313.0539 140.0 313.0613 110.0 339.1087 140.0 357.056 250.0 410.0714 130.0 579.1695 3100.0 579.2901 420.0 579.382 170.0 580.1691 930.0 580.3156 150.0 581.1728 200.0 END IONS BEGIN IONS SCANS=5041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5043 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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SCANS=5072 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5073 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5074 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5075 PEPMASS=755.2382 CHARGE=-1 COLLISION_ENERGY=0.0 71.0145 180.0 101.0214 160.0 103.0432 120.0 109.0276 150.0 113.0242 1200.0 133.032 140.0 135.0438 480.0 161.025 4600.0 161.0909 210.0 162.0214 170.0 177.0745 220.0 178.0206 200.0 179.0341 200.0 205.085 120.0 231.0867 160.0 251.0588 240.0 294.8862 200.0 323.0626 130.0 335.0004 130.0 344.0198 110.0 345.991 100.0 375.0191 110.0 383.0151 120.0 397.042 130.0 449.0827 200.0 461.1644 1300.0 462.1594 110.0 462.1763 200.0 463.1658 200.0 484.6838 140.0 517.9664 170.0 543.2096 170.0 577.6286 100.0 593.2093 2300.0 594.2214 790.0 595.1308 120.0 595.2071 130.0 623.185 170.0 623.2031 320.0 624.1923 130.0 679.7539 130.0 994.8601 120.0 END IONS BEGIN IONS SCANS=5076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5079 PEPMASS=521.13 CHARGE=-1 COLLISION_ENERGY=0.0 72.993 720.0 120.9331 150.0 135.0392 530.0 138.0616 160.0 141.0914 110.0 161.0236 380.0 166.951 130.0 179.0313 460.0 180.0336 260.0 197.0427 1700.0 198.0352 190.0 209.0709 220.0 220.1061 200.0 261.0182 250.0 280.0845 170.0 300.0249 140.0 307.1881 120.0 323.1781 100.0 347.1275 170.0 394.3248 160.0 418.2736 150.0 END IONS BEGIN IONS SCANS=5080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5085 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5086 PEPMASS=0.0 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92.9254 150.0 113.0224 580.0 132.0194 100.0 135.043 220.0 161.0249 210.0 175.0428 410.0 193.0531 600.0 194.0507 180.0 195.0555 250.0 197.0376 240.0 202.0537 130.0 245.0726 280.0 252.9838 100.0 265.0675 250.0 324.0735 160.0 430.0828 190.0 461.1551 160.0 469.148 130.0 523.1765 110.0 606.2261 150.0 623.213 880.0 624.2325 150.0 637.212 170.0 END IONS BEGIN IONS SCANS=5100 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5101 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5102 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5106 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5107 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5108 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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89.0237 150.0 113.0234 320.0 151.0092 150.0 152.0047 200.0 158.2847 120.0 244.0676 260.0 271.057 630.0 271.1519 120.0 273.0527 250.0 377.1191 170.0 417.2463 120.0 579.2905 130.0 736.675 170.0 END IONS BEGIN IONS SCANS=5120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5121 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5122 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5123 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5124 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5125 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5126 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5127 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5128 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5131 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5134 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5135 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5137 PEPMASS=733.1948 CHARGE=-1 COLLISION_ENERGY=0.0 69.9493 110.0 123.0478 130.0 165.0748 150.0 171.1298 150.0 200.0098 150.0 229.0142 480.0 230.016 130.0 230.1348 130.0 233.0632 120.0 243.0287 140.0 269.083 160.0 291.0575 140.0 296.0673 130.0 308.0637 250.0 311.1314 120.0 326.0739 110.0 339.0835 240.0 341.1164 330.0 352.0584 380.0 353.058 150.0 367.0796 1100.0 368.0855 430.0 390.143 110.0 468.1011 130.0 512.9875 180.0 514.1195 130.0 541.1286 170.0 677.187 130.0 END IONS BEGIN IONS SCANS=5138 PEPMASS=763.2042 CHARGE=-1 COLLISION_ENERGY=0.0 87.0094 160.0 101.0205 210.0 114.0228 160.0 259.032 200.0 273.0309 120.0 295.0553 390.0 309.0753 440.0 310.0821 360.0 325.1123 130.0 326.0574 120.0 326.1181 110.0 327.0912 200.0 353.0795 240.0 354.0654 270.0 369.098 510.0 370.0973 240.0 381.0533 310.0 382.0574 150.0 427.0906 270.0 442.1045 100.0 443.2671 140.0 498.0873 170.0 499.1163 170.0 513.1195 390.0 531.1346 100.0 678.1856 110.0 END IONS BEGIN IONS SCANS=5139 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5141 PEPMASS=187.0964 CHARGE=-1 COLLISION_ENERGY=0.0 75.7378 200.0 430.2115 120.0 493.8858 100.0 719.5772 110.0 END IONS BEGIN IONS SCANS=5142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5145 PEPMASS=313.1171 CHARGE=-1 COLLISION_ENERGY=0.0 94.068 230.0 104.0505 310.0 107.0393 800.0 122.0584 960.0 141.0432 100.0 148.04 1100.0 152.0725 210.0 153.0738 240.0 154.3647 120.0 161.0485 160.0 167.0622 140.0 185.0382 100.0 200.9023 130.0 207.8524 130.0 243.8096 110.0 END IONS BEGIN IONS SCANS=5146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5149 PEPMASS=555.1638 CHARGE=-1 COLLISION_ENERGY=0.0 89.025 160.0 96.9601 170.0 113.0309 140.0 114.0568 150.0 137.0247 160.0 151.0399 100.0 157.0212 150.0 164.8864 130.0 324.1084 150.0 340.0999 180.0 341.072 260.0 907.5645 260.0 907.6338 120.0 END IONS BEGIN IONS SCANS=5150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5151 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5154 PEPMASS=383.1612 CHARGE=-1 COLLISION_ENERGY=0.0 93.0326 310.0 94.0421 130.0 96.9586 210.0 134.0374 700.0 135.0453 480.0 136.0422 180.0 136.9025 140.0 148.0314 140.0 161.0599 110.0 190.0876 280.0 199.0747 150.0 215.0061 160.0 247.1019 260.0 248.1157 450.0 253.0332 110.0 263.1394 150.0 END IONS BEGIN IONS SCANS=5155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5157 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5158 PEPMASS=405.1593 CHARGE=-1 COLLISION_ENERGY=0.0 86.0963 170.0 91.7277 130.0 127.0195 1100.0 127.3859 130.0 127.6388 150.0 132.9383 160.0 141.0376 290.0 142.0358 150.0 173.1073 130.0 203.0681 500.0 211.0367 440.0 214.0477 110.0 271.0402 120.0 287.0905 100.0 END IONS BEGIN IONS SCANS=5159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5163 PEPMASS=733.198 CHARGE=-1 COLLISION_ENERGY=0.0 62.2407 190.0 66.8411 170.0 85.0242 200.0 87.0035 130.0 92.9252 170.0 159.8865 130.0 202.0431 100.0 208.0443 140.0 229.0131 540.0 230.0092 270.0 243.0261 230.0 244.032 170.0 257.0906 160.0 258.8828 200.0 280.0682 150.0 281.0814 160.0 316.1201 180.0 321.1083 220.0 323.0931 170.0 337.0263 580.0 339.0804 310.0 341.1003 240.0 351.0509 150.0 352.0466 160.0 367.0787 3500.0 368.0817 580.0 369.0999 160.0 369.1105 140.0 454.968 100.0 483.1648 150.0 484.1296 140.0 492.1666 200.0 499.1187 130.0 504.0961 140.0 522.1882 140.0 553.1235 110.0 597.1024 180.0 644.6086 130.0 651.2098 120.0 865.9557 100.0 890.4041 150.0 END IONS BEGIN IONS SCANS=5164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5165 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5166 PEPMASS=0.0 CHARGE=1 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120.0 316.1021 180.0 361.0912 120.0 402.1336 120.0 446.1965 120.0 461.1524 500.0 461.1624 1200.0 461.1731 510.0 461.754 140.0 462.163 800.0 464.1713 180.0 579.2907 100.0 692.1077 110.0 END IONS BEGIN IONS SCANS=5187 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5191 PEPMASS=763.2028 CHARGE=-1 COLLISION_ENERGY=0.0 73.0281 150.0 273.0369 410.0 274.0388 100.0 288.0247 180.0 295.0581 520.0 296.0558 140.0 309.0742 490.0 310.0764 700.0 311.0539 280.0 312.0945 230.0 324.2207 130.0 325.1048 160.0 354.0734 260.0 369.0988 410.0 371.1132 140.0 379.0769 240.0 383.066 190.0 397.0867 150.0 421.0834 150.0 423.0831 120.0 467.1253 210.0 482.1159 170.0 483.0944 120.0 484.122 200.0 498.1171 410.0 499.0924 270.0 625.1304 140.0 END IONS BEGIN IONS SCANS=5192 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5193 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5195 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5196 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5197 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5198 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5199 PEPMASS=527.1345 CHARGE=-1 COLLISION_ENERGY=0.0 71.0164 230.0 130.085 230.0 135.055 110.0 136.0144 180.0 159.1147 120.0 185.1112 110.0 192.9793 160.0 225.1448 180.0 240.0909 150.0 264.0349 150.0 268.0783 140.0 281.0401 710.0 283.0451 240.0 296.0576 430.0 297.0693 140.0 301.5303 150.0 310.0376 150.0 392.1401 120.0 653.7875 110.0 END IONS BEGIN IONS SCANS=5200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5201 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5216 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5217 PEPMASS=764.2117 CHARGE=-1 COLLISION_ENERGY=0.0 73.0296 110.0 143.0379 140.0 248.0593 170.0 252.0437 200.0 295.048 120.0 296.0655 220.0 309.0687 270.0 310.0742 540.0 310.1242 130.0 311.0814 200.0 312.0916 260.0 326.1092 140.0 353.0596 240.0 354.0855 170.0 356.096 210.0 359.0691 200.0 383.0641 140.0 397.1222 230.0 454.0881 140.0 465.1146 190.0 470.0928 120.0 483.1192 310.0 499.1297 120.0 500.1297 120.0 735.1522 120.0 END IONS BEGIN IONS SCANS=5218 PEPMASS=831.1946 CHARGE=-1 COLLISION_ENERGY=0.0 89.0302 150.0 96.9618 210.0 197.0582 100.0 237.0443 170.0 262.0221 130.0 273.0362 420.0 273.1083 120.0 278.0558 120.0 346.0549 210.0 354.0791 110.0 368.107 250.0 369.0913 300.0 371.1135 150.0 379.0725 120.0 397.0899 230.0 441.1168 140.0 443.11 110.0 467.1587 120.0 482.116 240.0 513.1415 140.0 523.1081 110.0 541.1342 130.0 585.2467 130.0 588.6134 120.0 639.152 390.0 677.2051 120.0 720.2058 170.0 725.1285 110.0 748.1754 120.0 763.2112 930.0 764.219 460.0 765.2201 370.0 END IONS BEGIN IONS SCANS=5219 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5220 PEPMASS=769.2539 CHARGE=-1 COLLISION_ENERGY=0.0 113.0245 340.0 131.035 110.0 145.0297 130.0 153.0533 220.0 161.0221 500.0 162.0254 160.0 175.0385 910.0 193.0487 400.0 245.0749 100.0 259.4417 120.0 270.9258 210.0 279.0602 110.0 304.9226 120.0 339.067 140.0 353.0253 130.0 395.0525 170.0 407.8338 140.0 413.0505 190.0 423.1032 110.0 459.0887 220.0 461.1692 120.0 462.1655 190.0 463.1655 130.0 472.0973 120.0 496.0833 130.0 511.1571 130.0 593.2008 500.0 621.1098 110.0 623.2027 170.0 638.2039 180.0 996.0481 120.0 END IONS BEGIN IONS SCANS=5221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5226 PEPMASS=763.2087 CHARGE=-1 COLLISION_ENERGY=0.0 101.0211 220.0 150.0438 120.0 258.011 230.0 273.0336 180.0 295.0499 180.0 296.0603 120.0 297.0839 180.0 309.071 930.0 310.0785 960.0 311.0733 200.0 314.0643 250.0 337.069 210.0 339.0414 300.0 353.0618 400.0 354.0721 190.0 359.0853 240.0 369.0994 420.0 381.0485 160.0 397.086 180.0 407.0574 130.0 477.117 190.0 482.1099 260.0 483.1251 310.0 484.1179 140.0 497.1245 280.0 498.1049 610.0 512.0902 190.0 513.1336 430.0 514.5968 140.0 542.134 150.0 571.3997 150.0 675.1886 120.0 721.1918 130.0 733.1551 170.0 END IONS BEGIN IONS SCANS=5227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5238 PEPMASS=799.185 CHARGE=-1 COLLISION_ENERGY=0.0 73.0303 190.0 143.0313 190.0 203.0705 270.0 203.1137 110.0 234.0617 120.0 273.044 140.0 275.0133 120.0 309.0845 120.0 310.0766 500.0 324.1096 110.0 325.1048 180.0 353.098 170.0 355.0943 160.0 362.1008 190.0 367.08 380.0 369.0963 460.0 370.1102 150.0 441.1248 210.0 482.116 140.0 483.1226 210.0 497.1411 280.0 498.1273 430.0 499.1166 330.0 502.2208 120.0 513.1363 300.0 515.1476 240.0 720.2084 120.0 748.1868 540.0 749.1887 150.0 763.2091 2000.0 763.4573 150.0 764.2161 880.0 765.2049 200.0 END IONS BEGIN IONS SCANS=5239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5242 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5249 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5251 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5252 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5256 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5259 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5260 PEPMASS=187.0963 CHARGE=-1 COLLISION_ENERGY=0.0 97.0653 1200.0 98.0686 110.0 123.085 240.0 125.0276 150.0 125.0971 1800.0 125.1359 120.0 126.1 200.0 598.5881 280.0 END IONS BEGIN IONS SCANS=5261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5266 PEPMASS=799.2638 CHARGE=-1 COLLISION_ENERGY=0.0 71.012 290.0 81.0334 270.0 87.0127 210.0 90.0264 150.0 113.0264 390.0 133.0241 110.0 135.0438 190.0 151.0402 150.0 161.0256 270.0 175.0397 780.0 193.0469 1200.0 315.1062 120.0 338.1171 120.0 461.1647 430.0 482.0839 110.0 605.2069 170.0 606.2098 160.0 623.2215 480.0 624.2151 790.0 624.2791 170.0 637.2036 230.0 940.8428 120.0 END IONS BEGIN IONS SCANS=5267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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283.0681 120.0 299.0529 110.0 322.0193 120.0 359.0869 170.0 386.0619 100.0 END IONS BEGIN IONS SCANS=5314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5316 PEPMASS=585.2664 CHARGE=-1 COLLISION_ENERGY=0.0 203.0245 120.0 216.9589 160.0 242.0483 110.0 273.0774 210.0 307.0288 210.0 362.9716 120.0 459.077 200.0 467.9004 150.0 481.1264 130.0 END IONS BEGIN IONS SCANS=5317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5324 PEPMASS=0.0 CHARGE=1 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177.089 170.0 179.0333 260.0 203.6693 130.0 211.1359 170.0 233.0934 110.0 234.0112 200.0 234.8727 220.0 287.0884 100.0 295.0433 170.0 301.1185 120.0 312.0724 200.0 320.1868 120.0 449.044 210.0 476.7138 260.0 601.3406 150.0 END IONS BEGIN IONS SCANS=5329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5335 PEPMASS=405.1582 CHARGE=-1 COLLISION_ENERGY=0.0 89.0205 150.0 94.9288 310.0 102.0289 170.0 123.0485 270.0 127.02 1200.0 135.0422 200.0 141.0438 140.0 145.0313 180.0 159.0668 160.0 185.0648 120.0 203.0749 280.0 211.0461 360.0 224.0933 150.0 225.0597 220.0 286.0878 110.0 287.0955 190.0 288.0944 140.0 305.5045 100.0 659.251 110.0 END IONS BEGIN IONS SCANS=5336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5340 PEPMASS=835.2396 CHARGE=-1 COLLISION_ENERGY=0.0 125.0183 340.0 135.0485 190.0 161.025 280.0 175.0391 1000.0 178.0252 120.0 193.0468 730.0 221.078 160.0 265.0621 190.0 357.1995 160.0 369.1823 140.0 461.1675 430.0 462.1597 140.0 469.1498 110.0 473.1436 110.0 497.0824 110.0 507.0193 160.0 531.0903 110.0 605.197 200.0 623.2119 930.0 624.2284 350.0 625.2249 130.0 637.2383 140.0 638.2178 110.0 661.1575 150.0 799.2575 2300.0 800.267 1100.0 801.2633 180.0 END IONS BEGIN IONS SCANS=5341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5343 PEPMASS=0.0 CHARGE=1 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250.0 175.0401 1300.0 179.0504 340.0 193.0522 460.0 266.0644 100.0 297.0926 140.0 315.1045 220.0 444.1543 300.0 444.1993 140.0 461.1651 910.0 462.1756 270.0 469.1414 220.0 476.9984 110.0 572.3507 140.0 623.2215 960.0 624.2174 510.0 625.2367 230.0 637.2171 290.0 683.0591 100.0 END IONS BEGIN IONS SCANS=5350 PEPMASS=800.2673 CHARGE=-1 COLLISION_ENERGY=0.0 464.2721 100.0 472.1745 100.0 514.624 120.0 575.1874 110.0 737.9026 110.0 END IONS BEGIN IONS SCANS=5351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5353 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5354 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5356 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5360 PEPMASS=635.1102 CHARGE=-1 COLLISION_ENERGY=0.0 141.068 130.0 191.0589 230.0 207.0604 150.0 231.9851 160.0 246.0651 110.0 269.0439 4600.0 269.2314 150.0 270.0452 1300.0 271.0458 300.0 285.0294 270.0 292.1224 190.0 303.035 100.0 516.1276 110.0 600.1838 120.0 END IONS BEGIN IONS SCANS=5361 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5362 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5363 PEPMASS=311.0553 CHARGE=-1 COLLISION_ENERGY=0.0 93.0401 190.0 130.9612 120.0 160.0326 210.0 175.0488 160.0 203.0475 120.0 204.0608 130.0 211.0691 160.0 237.0561 260.0 238.0713 280.0 239.0692 270.0 250.0666 210.0 265.0528 140.0 266.0631 320.0 267.0627 660.0 267.1179 210.0 END IONS BEGIN IONS SCANS=5364 PEPMASS=309.0405 CHARGE=-1 COLLISION_ENERGY=0.0 86.9749 150.0 109.0568 180.0 125.8714 270.0 125.8979 120.0 130.9634 200.0 141.0668 130.0 149.0226 240.0 159.0403 240.0 165.0685 600.0 181.0608 260.0 192.0505 350.0 193.0642 500.0 197.0613 530.0 209.0584 1800.0 210.0659 530.0 211.078 650.0 221.0578 790.0 222.0638 510.0 248.0479 520.0 250.0649 470.0 265.044 400.0 266.053 390.0 267.066 2400.0 268.0697 200.0 268.5615 120.0 END IONS BEGIN IONS SCANS=5365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5367 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5374 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5389 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5390 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5391 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5392 PEPMASS=661.1386 CHARGE=-1 COLLISION_ENERGY=0.0 60.3246 190.0 74.3545 110.0 93.0385 200.0 123.0765 260.0 235.1002 260.0 251.0661 120.0 254.0949 150.0 268.0592 140.0 284.0283 920.0 285.0399 1400.0 286.04 380.0 325.0241 120.0 351.066 150.0 381.0603 110.0 438.0454 120.0 460.2619 190.0 543.0348 130.0 593.148 490.0 594.1589 150.0 847.8694 100.0 END IONS BEGIN IONS SCANS=5393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5397 PEPMASS=593.1507 CHARGE=-1 COLLISION_ENERGY=0.0 78.8545 270.0 93.034 160.0 99.0456 170.0 107.0042 130.0 161.1024 150.0 163.006 130.0 164.013 220.0 165.0129 160.0 169.0586 120.0 187.031 220.0 222.0828 120.0 227.0312 390.0 227.0359 360.0 229.0459 170.0 230.0618 130.0 241.0522 120.0 255.0248 620.0 256.0303 450.0 284.0322 4000.0 285.0376 7300.0 285.1359 440.0 286.043 1400.0 327.117 110.0 341.1113 120.0 342.1101 160.0 353.0363 240.0 358.0791 180.0 856.1888 120.0 856.9818 140.0 END IONS BEGIN IONS SCANS=5398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5403 PEPMASS=0.0 CHARGE=1 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195.0658 180.0 229.0111 140.0 242.0507 270.0 243.0231 360.0 271.0915 110.0 280.075 690.0 282.0875 250.0 285.0353 120.0 294.0442 110.0 306.052 190.0 308.063 190.0 323.0915 210.0 336.0594 280.0 341.0947 220.0 342.117 240.0 350.0659 130.0 351.0691 140.0 352.818 140.0 367.0818 640.0 371.8393 200.0 398.9814 170.0 409.961 100.0 440.9911 100.0 467.1244 180.0 510.0167 130.0 512.1267 180.0 517.4136 150.0 594.164 130.0 595.1881 140.0 END IONS BEGIN IONS SCANS=5470 PEPMASS=727.1628 CHARGE=-1 COLLISION_ENERGY=0.0 87.0069 170.0 89.027 410.0 113.0238 170.0 125.0252 110.0 151.0722 120.0 173.0413 170.0 222.0739 120.0 239.7156 230.0 243.027 380.0 243.0704 100.0 269.0814 120.0 269.131 100.0 282.0873 220.0 284.0611 200.0 292.025 110.0 308.0679 340.0 323.0859 1100.0 339.0741 270.0 340.0858 260.0 341.1005 510.0 349.0703 320.0 355.1174 160.0 367.0821 780.0 367.1359 210.0 382.0005 150.0 383.1067 150.0 387.0707 230.0 409.0955 100.0 483.1075 230.0 490.2332 110.0 END IONS BEGIN IONS SCANS=5471 PEPMASS=651.1103 CHARGE=-1 COLLISION_ENERGY=0.0 118.0479 120.0 122.9812 120.0 137.0172 130.0 181.0482 190.0 183.038 200.0 190.0163 110.0 221.08 120.0 255.0354 270.0 256.0442 130.0 284.0339 2000.0 285.0375 2400.0 286.0397 830.0 289.014 220.0 307.007 120.0 311.0491 140.0 326.9969 160.0 341.0928 150.0 349.0635 180.0 354.0219 120.0 356.0748 240.0 365.175 130.0 381.9493 100.0 384.1068 110.0 402.1183 190.0 433.1357 130.0 435.109 100.0 452.9106 100.0 455.0239 100.0 489.0891 200.0 489.158 150.0 593.1472 700.0 594.1464 320.0 END IONS BEGIN IONS SCANS=5472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5473 PEPMASS=733.1962 CHARGE=-1 COLLISION_ENERGY=0.0 89.129 130.0 99.0225 100.0 102.0255 140.0 119.0415 180.0 224.0831 110.0 242.9879 160.0 243.0219 120.0 247.0538 350.0 270.1262 120.0 273.0294 160.0 282.0814 150.0 285.0655 160.0 294.0839 210.0 295.0897 190.0 311.0544 230.0 319.0237 300.0 323.0479 210.0 324.0628 210.0 334.0481 170.0 339.0932 180.0 352.0635 210.0 363.1306 120.0 380.0606 150.0 395.1153 150.0 397.0928 190.0 411.1149 130.0 447.1179 110.0 468.1054 240.0 468.1732 120.0 END IONS BEGIN IONS SCANS=5474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5486 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120.0 106.0029 150.0 121.0096 160.0 122.8348 130.0 131.0302 150.0 150.9997 250.0 172.0487 260.0 174.9951 140.0 187.0419 220.0 189.0526 290.0 196.0458 170.0 207.0289 220.0 208.9995 190.0 227.0311 1000.0 227.0385 270.0 229.0508 480.0 241.048 220.0 255.0294 3700.0 256.0338 1600.0 284.0328 15000.0 285.0396 22000.0 286.0429 3800.0 286.0495 680.0 311.0905 150.0 318.9106 120.0 327.0441 220.0 327.053 270.0 357.0565 110.0 377.0118 160.0 407.9456 110.0 447.0867 150.0 END IONS BEGIN IONS SCANS=5496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5502 PEPMASS=453.2242 CHARGE=-1 COLLISION_ENERGY=0.0 85.0272 140.0 180.9262 120.0 197.1101 130.0 305.0065 230.0 END IONS BEGIN IONS SCANS=5503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5513 PEPMASS=463.253 CHARGE=-1 COLLISION_ENERGY=0.0 85.0284 390.0 133.6804 140.0 264.0435 110.0 END IONS BEGIN IONS SCANS=5514 PEPMASS=651.1132 CHARGE=-1 COLLISION_ENERGY=0.0 150.9986 140.0 195.0675 160.0 211.0445 110.0 227.0211 100.0 255.0223 270.0 256.0348 340.0 284.0322 1800.0 285.0394 2700.0 285.1595 170.0 286.0455 500.0 300.0246 520.0 301.0282 140.0 313.0161 100.0 327.0525 120.0 343.0059 100.0 343.0899 110.0 358.9537 110.0 447.0768 120.0 531.8952 140.0 593.1443 1000.0 594.1626 170.0 595.1604 290.0 840.4663 160.0 END IONS BEGIN IONS SCANS=5515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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100.0 539.1598 160.0 586.0119 160.0 595.2755 200.0 597.1117 110.0 END IONS BEGIN IONS SCANS=5542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5543 PEPMASS=347.0322 CHARGE=-1 COLLISION_ENERGY=0.0 93.0703 120.0 96.96 110.0 127.0746 260.0 159.0399 140.0 183.0749 260.0 193.0698 100.0 196.0476 270.0 209.0626 110.0 211.0769 100.0 221.0608 420.0 237.0651 130.0 239.0699 160.0 249.0469 250.0 264.049 210.0 265.0485 230.0 267.064 5100.0 267.2086 180.0 268.0681 740.0 269.0743 150.0 311.0524 460.0 596.0636 130.0 725.3533 220.0 END IONS BEGIN IONS SCANS=5544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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431.1027 170.0 461.1566 380.0 462.1607 130.0 465.1518 120.0 475.0902 100.0 476.1103 120.0 521.0852 120.0 637.2083 3400.0 638.0448 160.0 638.2116 1700.0 638.3347 180.0 639.1775 770.0 640.155 170.0 END IONS BEGIN IONS SCANS=5650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5659 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5660 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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366.0716 460.0 413.1014 280.0 417.0885 100.0 431.1084 170.0 451.0691 100.0 457.0799 130.0 475.0981 2600.0 475.2955 120.0 491.0903 310.0 584.0153 170.0 601.9115 140.0 611.125 140.0 966.6287 160.0 982.5776 120.0 END IONS BEGIN IONS SCANS=5760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5768 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5770 PEPMASS=0.0 CHARGE=1 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330.0 321.0656 270.0 339.0515 3000.0 340.0517 710.0 353.0653 670.0 365.0657 1300.0 365.2475 180.0 366.0672 1100.0 366.2462 110.0 367.0753 260.0 475.1027 610.0 476.096 170.0 476.6576 120.0 643.0721 190.0 END IONS BEGIN IONS SCANS=5834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5844 PEPMASS=0.0 CHARGE=1 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105.0284 270.0 132.0197 160.0 366.9198 100.0 END IONS BEGIN IONS SCANS=6488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6490 PEPMASS=197.0436 CHARGE=-1 COLLISION_ENERGY=0.0 134.0395 140.0 135.0437 110.0 727.352 100.0 END IONS BEGIN IONS SCANS=6491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6497 PEPMASS=359.0743 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 2100.0 73.0719 130.0 123.0423 1200.0 124.0494 210.0 133.0276 2300.0 134.037 270.0 135.0427 1700.0 136.0512 270.0 161.022 1700.0 162.0298 140.0 179.0353 490.0 180.0343 160.0 END IONS BEGIN IONS SCANS=6498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6511 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160.0 293.3128 150.0 315.082 170.0 326.2254 230.0 524.1487 100.0 922.407 120.0 END IONS BEGIN IONS SCANS=6669 PEPMASS=417.0318 CHARGE=-1 COLLISION_ENERGY=0.0 69.0422 180.0 72.9956 110.0 73.0206 110.0 117.0307 150.0 133.0287 110.0 134.036 200.0 135.0427 2600.0 135.1504 150.0 136.0464 300.0 157.0325 110.0 161.0198 480.0 173.0193 190.0 179.0328 590.0 192.9763 110.0 197.028 110.0 201.0152 220.0 219.0276 350.0 239.1364 100.0 243.7854 170.0 277.0399 130.0 285.0412 140.0 END IONS BEGIN IONS SCANS=6670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6691 PEPMASS=395.0541 CHARGE=-1 COLLISION_ENERGY=0.0 72.9924 3500.0 86.6064 160.0 105.0306 290.0 123.0457 1100.0 133.0282 1700.0 134.0309 600.0 135.045 2800.0 135.1021 290.0 161.0217 18000.0 162.0272 2000.0 163.0324 340.0 179.0339 2200.0 180.0333 640.0 197.0424 4200.0 234.9958 170.0 337.0622 120.0 359.0731 580.0 360.0805 420.0 609.2772 120.0 724.4327 100.0 END IONS BEGIN IONS SCANS=6692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6693 PEPMASS=741.1476 CHARGE=-1 COLLISION_ENERGY=0.0 124.0493 180.0 135.0447 1200.0 157.0272 260.0 161.025 940.0 179.0368 3900.0 180.0362 680.0 197.0487 520.0 198.0502 180.0 201.0185 1700.0 201.0898 150.0 202.015 270.0 219.0286 3500.0 219.4164 120.0 220.0344 350.0 322.0481 170.0 359.0737 290.0 360.0845 110.0 381.0669 1400.0 381.1889 120.0 382.0749 480.0 561.1014 100.0 END IONS BEGIN IONS SCANS=6694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6695 PEPMASS=0.0 CHARGE=1 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END IONS BEGIN IONS SCANS=6732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6739 PEPMASS=717.1491 CHARGE=-1 COLLISION_ENERGY=0.0 61.8629 110.0 72.9951 2100.0 73.0392 110.0 77.0411 200.0 96.0536 130.0 105.0337 500.0 106.039 160.0 123.0467 1000.0 132.0281 200.0 133.0286 2800.0 135.0445 3200.0 151.0405 2200.0 161.0231 50000.0 161.1389 3400.0 162.0269 4400.0 179.0352 7300.0 197.0455 16000.0 223.0219 120.0 229.0014 140.0 245.041 120.0 313.0731 150.0 321.0532 140.0 323.0451 120.0 339.0458 290.0 339.0556 220.0 340.046 130.0 357.0636 170.0 359.0702 1100.0 359.115 130.0 360.0732 200.0 365.0733 110.0 475.0952 130.0 495.1411 120.0 557.2899 120.0 END IONS BEGIN IONS SCANS=6740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6741 PEPMASS=357.0585 CHARGE=-1 COLLISION_ENERGY=0.0 72.9936 30000.0 73.0717 1800.0 74.0021 710.0 77.0439 670.0 79.0563 900.0 95.0518 380.0 123.0448 20000.0 132.0211 2700.0 133.0289 44000.0 134.0339 5800.0 135.0443 45000.0 136.0475 2900.0 151.0368 1400.0 161.0228 48000.0 162.0273 3500.0 179.0325 8600.0 180.0353 740.0 197.0437 1100.0 207.0217 150.0 207.0864 190.0 240.0356 120.0 254.0375 230.0 270.1079 210.0 662.2261 120.0 856.7042 260.0 END IONS BEGIN IONS SCANS=6742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6749 PEPMASS=719.1651 CHARGE=-1 COLLISION_ENERGY=0.0 72.9939 510.0 89.0064 260.0 133.0288 270.0 134.0356 100.0 135.0467 380.0 161.0264 16000.0 161.1401 520.0 162.028 1800.0 179.0382 1200.0 197.0484 5100.0 198.0486 490.0 223.0243 120.0 223.0314 160.0 315.0665 140.0 359.084 10000.0 359.2558 680.0 360.0882 2400.0 360.2542 230.0 360.3148 110.0 361.0877 570.0 END IONS BEGIN IONS SCANS=6750 PEPMASS=720.1689 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 240.0 123.0474 240.0 133.026 180.0 135.0458 360.0 136.0542 170.0 161.0238 6500.0 162.0261 2300.0 163.0251 420.0 180.0335 580.0 197.0437 2000.0 198.0436 650.0 359.0793 120.0 360.0727 110.0 438.291 110.0 END IONS BEGIN IONS SCANS=6751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6767 PEPMASS=197.0447 CHARGE=-1 COLLISION_ENERGY=0.0 67.0519 130.0 106.0426 110.0 122.0394 250.0 431.8819 140.0 END IONS BEGIN IONS SCANS=6768 PEPMASS=359.0753 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 3300.0 73.9926 140.0 89.0377 100.0 93.0302 130.0 94.3769 130.0 109.0283 880.0 123.0451 3400.0 133.0278 5500.0 133.1349 360.0 134.0368 1100.0 135.0435 5200.0 151.0393 190.0 161.0225 6700.0 161.1356 230.0 162.022 320.0 162.0271 560.0 179.0325 960.0 899.768 160.0 END IONS BEGIN IONS SCANS=6769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6783 PEPMASS=313.0687 CHARGE=-1 COLLISION_ENERGY=0.0 104.0203 110.0 105.0339 240.0 122.033 210.0 132.0195 380.0 133.0256 2000.0 134.0278 340.0 150.0264 170.0 161.0214 1000.0 163.0285 250.0 END IONS BEGIN IONS SCANS=6784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6785 PEPMASS=161.0234 CHARGE=-1 COLLISION_ENERGY=0.0 89.0393 180.0 115.0217 150.0 132.0205 810.0 133.0266 2300.0 133.0948 180.0 133.1328 140.0 133.2267 120.0 END IONS BEGIN IONS SCANS=6786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6820 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6833 PEPMASS=395.0517 CHARGE=-1 COLLISION_ENERGY=0.0 72.9944 1900.0 73.9974 120.0 123.0446 1400.0 124.0424 180.0 133.0292 2500.0 133.0892 210.0 135.0446 3000.0 135.2815 210.0 161.0244 18000.0 162.0282 1700.0 179.0352 2900.0 180.033 550.0 197.0451 4300.0 198.0506 340.0 210.9818 100.0 223.0214 160.0 359.0779 750.0 360.085 340.0 590.6196 100.0 END IONS BEGIN IONS SCANS=6834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6870 PEPMASS=359.0766 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 3800.0 73.0718 240.0 77.0407 260.0 123.0473 1000.0 124.0505 440.0 133.0314 4400.0 134.0378 690.0 135.0467 3600.0 136.0566 390.0 161.0261 5900.0 161.1412 370.0 162.0291 280.0 162.6757 130.0 163.0324 160.0 179.0366 320.0 END IONS BEGIN IONS SCANS=6871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6873 PEPMASS=719.1637 CHARGE=-1 COLLISION_ENERGY=0.0 133.0277 130.0 161.0234 2300.0 162.0258 270.0 179.0318 180.0 197.0415 580.0 198.0568 190.0 224.0275 180.0 313.0677 170.0 359.0809 6500.0 359.7889 100.0 360.0857 1300.0 361.0885 470.0 362.1016 140.0 END IONS BEGIN IONS SCANS=6874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6888 PEPMASS=395.0534 CHARGE=-1 COLLISION_ENERGY=0.0 72.9922 630.0 73.0183 190.0 135.0418 780.0 161.022 8000.0 162.0297 770.0 179.0326 1100.0 180.0359 220.0 197.0442 2800.0 198.0478 380.0 231.0253 160.0 314.9555 100.0 341.1492 240.0 357.0677 290.0 359.0777 580.0 360.0817 120.0 END IONS BEGIN IONS SCANS=6889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6894 PEPMASS=741.1392 CHARGE=-1 COLLISION_ENERGY=0.0 134.0358 150.0 161.0236 250.0 179.0303 1300.0 180.0317 160.0 201.0161 560.0 201.0697 110.0 219.0278 520.0 337.0575 110.0 359.0687 390.0 381.0569 3900.0 382.0606 700.0 383.0484 250.0 384.0412 260.0 414.3686 130.0 417.0726 130.0 579.1064 430.0 580.1077 200.0 END IONS BEGIN IONS SCANS=6895 PEPMASS=742.1421 CHARGE=-1 COLLISION_ENERGY=0.0 161.022 110.0 178.0184 120.0 179.0359 210.0 180.0356 280.0 201.0171 270.0 203.014 140.0 219.0266 310.0 220.0301 360.0 338.0598 130.0 381.0554 1100.0 382.0543 660.0 382.1105 160.0 383.0689 150.0 550.1968 110.0 579.1021 150.0 580.1205 130.0 583.0335 100.0 583.2215 130.0 END IONS BEGIN IONS SCANS=6896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6897 PEPMASS=343.2108 CHARGE=-1 COLLISION_ENERGY=0.0 83.0511 140.0 87.0385 110.0 97.0655 150.0 135.0452 120.0 153.083 130.0 163.117 110.0 185.1173 130.0 201.1109 260.0 209.1333 120.0 211.1341 400.0 229.1441 720.0 230.1509 270.0 230.1979 120.0 255.1594 210.0 256.1529 100.0 257.0815 210.0 271.1361 110.0 END IONS BEGIN IONS SCANS=6898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6911 PEPMASS=381.0587 CHARGE=-1 COLLISION_ENERGY=0.0 122.9395 100.0 135.0432 770.0 139.0223 200.0 161.0248 180.0 169.0794 260.0 179.0277 950.0 201.0166 280.0 219.0229 1300.0 219.0769 250.0 220.0358 160.0 289.1133 100.0 353.0264 130.0 357.0143 190.0 359.062 280.0 449.0388 120.0 END IONS BEGIN IONS SCANS=6912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6922 PEPMASS=733.1934 CHARGE=-1 COLLISION_ENERGY=0.0 71.0131 270.0 72.0151 270.0 73.0294 120.0 113.0235 110.0 119.032 180.0 123.0485 190.0 161.0359 170.0 179.0252 130.0 197.0389 120.0 198.0445 130.0 200.0025 250.0 228.0097 250.0 229.018 190.0 241.0595 150.0 243.0276 760.0 244.0348 190.0 252.085 150.0 255.0661 150.0 265.0765 210.0 267.0593 220.0 282.0973 240.0 295.0842 250.0 319.0596 210.0 321.0406 340.0 323.0906 310.0 339.1096 190.0 341.1054 400.0 349.065 500.0 350.0756 300.0 353.1007 310.0 354.0607 120.0 367.0759 690.0 397.118 240.0 409.0999 130.0 423.104 110.0 425.9151 130.0 468.0955 160.0 483.1287 220.0 486.0591 120.0 498.0904 130.0 511.1331 190.0 611.2017 100.0 612.1694 190.0 END IONS BEGIN IONS SCANS=6923 PEPMASS=769.1704 CHARGE=-1 COLLISION_ENERGY=0.0 89.028 130.0 101.0218 240.0 127.0445 140.0 131.0254 210.0 149.0459 210.0 155.0277 140.0 160.0198 210.0 161.0384 160.0 177.0393 110.0 203.0553 140.0 241.0422 240.0 243.0267 590.0 254.5076 210.0 280.0634 160.0 281.0774 400.0 282.0805 360.0 295.093 230.0 297.1136 350.0 323.0858 730.0 336.0637 130.0 339.0783 200.0 341.0975 850.0 342.1148 300.0 349.0698 470.0 350.077 190.0 351.0418 150.0 367.0826 730.0 412.5982 110.0 413.1215 120.0 414.1155 140.0 439.0798 130.0 453.1145 210.0 467.1402 260.0 470.1303 150.0 483.1224 170.0 511.11 110.0 527.1555 120.0 629.1711 290.0 630.1655 150.0 689.2158 460.0 690.2191 230.0 692.194 160.0 705.1914 160.0 733.1814 220.0 733.2586 100.0 734.1791 160.0 END IONS BEGIN IONS SCANS=6924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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254.0827 130.0 283.076 250.0 388.9365 130.0 END IONS BEGIN IONS SCANS=6939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6945 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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298.9298 120.0 315.1756 800.0 316.1894 440.0 340.9722 110.0 353.0775 170.0 381.0401 110.0 410.9872 110.0 447.2221 1000.0 448.2334 350.0 460.2378 100.0 END IONS BEGIN IONS SCANS=7016 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7017 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7019 PEPMASS=583.2466 CHARGE=-1 COLLISION_ENERGY=0.0 71.0105 110.0 78.9581 170.0 113.0246 310.0 117.2697 100.0 135.0437 370.0 165.0539 120.0 191.0577 330.0 240.1031 200.0 268.1071 110.0 272.866 110.0 345.0272 230.0 367.2062 170.0 378.1208 140.0 436.2053 170.0 478.1539 100.0 559.9422 100.0 END IONS BEGIN IONS SCANS=7020 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7022 PEPMASS=483.1994 CHARGE=-1 COLLISION_ENERGY=0.0 61.9881 250.0 62.0139 110.0 83.0476 120.0 135.0447 390.0 135.075 140.0 147.0388 240.0 201.0154 310.0 226.9287 120.0 249.1024 110.0 287.8708 160.0 302.9075 150.0 945.6548 120.0 976.1699 140.0 END IONS BEGIN IONS SCANS=7023 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7027 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7029 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7030 PEPMASS=547.2705 CHARGE=-1 COLLISION_ENERGY=0.0 71.0147 550.0 73.0281 140.0 75.0055 200.0 85.0328 210.0 89.0242 970.0 101.0213 310.0 103.0385 110.0 108.0466 130.0 113.0218 380.0 125.0304 210.0 129.0203 100.0 154.8975 140.0 161.0166 210.0 170.8814 100.0 244.0722 110.0 253.9202 120.0 281.1165 210.0 286.0227 110.0 299.0451 170.0 351.2091 140.0 365.0466 100.0 END IONS BEGIN IONS SCANS=7031 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7033 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7034 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7035 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7036 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7037 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7038 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7039 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7040 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7043 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7045 PEPMASS=607.2021 CHARGE=-1 COLLISION_ENERGY=0.0 101.0247 130.0 197.0377 160.0 277.0461 270.0 339.1248 380.0 340.1298 140.0 341.1348 260.0 342.1752 180.0 350.8482 130.0 471.0323 130.0 497.9589 100.0 END IONS BEGIN IONS SCANS=7046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7048 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7050 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7051 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7053 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7054 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7055 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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170.0 326.001 120.0 337.0314 210.0 339.0416 120.0 369.0376 170.0 384.1137 150.0 429.091 280.0 437.5388 130.0 469.0721 370.0 470.0929 230.0 472.0663 110.0 479.1643 170.0 591.1357 140.0 605.3549 110.0 651.1453 310.0 652.1707 160.0 END IONS BEGIN IONS SCANS=7180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7181 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7184 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7187 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7190 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179.0364 220.0 193.013 190.0 195.0556 180.0 197.0409 240.0 201.1848 180.0 209.0281 100.0 220.0627 140.0 223.134 170.0 229.0088 160.0 243.0408 250.0 267.0664 130.0 268.0786 100.0 283.1024 280.0 295.0607 220.0 296.0659 230.0 297.0736 420.0 308.0462 100.0 309.0843 130.0 325.0588 230.0 331.0692 140.0 335.1021 100.0 337.0326 110.0 352.0586 180.0 353.0634 340.0 355.0807 220.0 358.9728 180.0 367.0841 900.0 368.0712 200.0 403.1059 260.0 424.1126 140.0 427.1097 100.0 438.0772 280.0 489.1116 280.0 679.0701 140.0 END IONS BEGIN IONS SCANS=7226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7230 PEPMASS=397.1132 CHARGE=-1 COLLISION_ENERGY=0.0 71.0129 130.0 73.9943 160.0 96.044 110.0 108.0203 1200.0 108.0524 270.0 109.0304 560.0 123.0421 600.0 135.0428 460.0 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740.0 255.0426 140.0 265.0449 290.0 281.0405 110.0 END IONS BEGIN IONS SCANS=7288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7292 PEPMASS=879.1984 CHARGE=-1 COLLISION_ENERGY=0.0 107.0496 110.0 150.0224 200.0 179.0507 110.0 185.0228 220.0 197.0419 280.0 276.0389 190.0 277.0388 110.0 280.0314 180.0 294.0379 210.0 295.0641 140.0 304.1178 110.0 321.0382 780.0 322.0415 480.0 339.047 1000.0 339.196 110.0 457.1096 790.0 460.4387 110.0 483.0903 1400.0 483.2088 110.0 484.0958 650.0 485.0881 180.0 501.1012 860.0 503.1131 110.0 519.0872 230.0 520.1015 130.0 525.0726 170.0 598.129 100.0 641.0331 100.0 663.038 160.0 665.066 140.0 681.1496 620.0 682.1295 140.0 699.1638 160.0 721.0977 120.0 753.0181 140.0 838.2178 120.0 846.0797 100.0 923.9378 110.0 END IONS 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CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7310 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7317 PEPMASS=537.283 CHARGE=-1 COLLISION_ENERGY=0.0 109.0265 190.0 179.0306 110.0 186.0282 200.0 191.0565 110.0 265.0518 190.0 337.1184 200.0 353.026 190.0 359.0787 130.0 363.1564 180.0 370.0639 100.0 475.0776 130.0 493.0534 130.0 END IONS BEGIN IONS SCANS=7318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7319 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7337 PEPMASS=609.2143 CHARGE=-1 COLLISION_ENERGY=0.0 85.0273 190.0 90.0278 120.0 95.0095 100.0 112.9806 120.0 209.0971 100.0 216.3759 100.0 227.8929 240.0 301.0236 210.0 301.057 110.0 305.175 130.0 371.082 100.0 395.0641 150.0 421.1201 180.0 476.9032 110.0 END IONS BEGIN IONS SCANS=7338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7345 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7346 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7348 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7349 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7353 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7354 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7356 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7360 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7361 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7362 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7363 PEPMASS=535.1431 CHARGE=-1 COLLISION_ENERGY=0.0 61.9857 330.0 135.0416 570.0 179.0336 720.0 196.1076 140.0 211.0695 160.0 268.0788 150.0 280.0968 140.0 316.1266 260.0 339.0452 420.0 373.0929 2500.0 373.2028 250.0 373.2965 150.0 374.0877 660.0 374.1614 110.0 391.0751 200.0 429.2178 150.0 457.1673 150.0 466.1583 130.0 470.2202 130.0 687.462 190.0 END IONS BEGIN IONS SCANS=7364 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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COLLISION_ENERGY=0.0 72.9905 180.0 78.9582 120.0 108.0208 1100.0 109.0274 1000.0 152.0093 860.0 153.0142 350.0 242.0083 240.0 258.9931 110.0 267.0245 120.0 269.0022 120.0 331.1145 170.0 END IONS BEGIN IONS SCANS=7378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7379 PEPMASS=731.1597 CHARGE=-1 COLLISION_ENERGY=0.0 109.0337 230.0 135.0428 310.0 141.1061 150.0 157.0235 120.0 179.0301 250.0 197.0442 290.0 229.0081 150.0 249.044 210.0 253.1067 120.0 266.0541 290.0 271.0877 120.0 281.0787 290.0 283.0847 220.0 309.0781 360.0 311.0389 150.0 320.0685 150.0 335.0874 170.0 336.037 150.0 339.0475 230.0 350.0421 360.0 353.0639 1400.0 365.0638 490.0 366.0574 350.0 367.0806 1100.0 368.0791 310.0 489.1161 500.0 489.1778 260.0 490.1326 200.0 679.9266 120.0 930.0617 110.0 END IONS BEGIN IONS SCANS=7380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7382 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7400 PEPMASS=557.3025 CHARGE=-1 COLLISION_ENERGY=0.0 61.9875 160.0 69.204 120.0 328.2172 120.0 377.1516 100.0 396.1125 200.0 423.1585 100.0 424.8214 170.0 468.5975 110.0 469.2176 120.0 483.2202 150.0 513.0947 110.0 521.5994 130.0 523.3464 120.0 524.3231 200.0 985.7789 110.0 END IONS BEGIN IONS SCANS=7401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7408 PEPMASS=681.168 CHARGE=-1 COLLISION_ENERGY=0.0 65.001 150.0 82.5804 110.0 93.0353 130.0 108.0199 110.0 109.9991 200.0 110.0053 150.0 113.2046 120.0 161.0231 170.0 165.019 150.0 165.0494 140.0 185.0246 160.0 191.0517 120.0 197.0447 280.0 266.0699 150.0 271.0162 110.0 279.0334 170.0 298.007 330.0 299.0126 340.0 299.019 540.0 300.0263 6400.0 301.0321 370.0 314.0346 450.0 315.0491 14000.0 316.0523 3300.0 317.0579 400.0 351.2114 140.0 357.0267 140.0 381.0496 140.0 402.2581 120.0 413.0629 110.0 444.0077 130.0 459.0893 280.0 477.0859 230.0 562.1046 140.0 570.6973 100.0 624.1489 100.0 639.1525 250.0 640.1966 100.0 646.3322 120.0 975.5456 120.0 END IONS BEGIN IONS SCANS=7409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7411 PEPMASS=489.1 CHARGE=-1 COLLISION_ENERGY=0.0 95.0783 200.0 108.0211 140.0 109.0314 850.0 130.9659 100.0 135.0438 220.0 142.9399 160.0 151.0364 270.0 159.0414 190.0 179.0368 160.0 185.0234 910.0 185.0872 120.0 197.0438 230.0 211.0359 210.0 216.0353 130.0 227.0344 550.0 228.0376 260.0 229.0411 190.0 248.0378 190.0 255.0274 2400.0 256.0256 580.0 257.041 380.0 267.058 360.0 284.0302 1900.0 285.0361 750.0 304.051 150.0 311.0358 150.0 330.856 110.0 392.0064 130.0 915.2225 120.0 969.0049 120.0 END IONS BEGIN IONS SCANS=7412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7416 PEPMASS=0.0 CHARGE=1 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7443 PEPMASS=513.207 CHARGE=-1 COLLISION_ENERGY=0.0 71.0508 110.0 85.028 120.0 93.5147 110.0 99.0046 180.0 122.0321 100.0 149.0229 120.0 157.5803 100.0 267.079 100.0 275.083 140.0 318.1871 140.0 338.5712 100.0 593.9358 130.0 END IONS BEGIN IONS SCANS=7444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7445 PEPMASS=525.2425 CHARGE=-1 COLLISION_ENERGY=0.0 70.2815 110.0 101.0263 160.0 107.0868 160.0 132.0197 130.0 135.0467 160.0 167.1054 190.0 211.1327 150.0 212.0379 140.0 219.1319 150.0 220.0265 210.0 327.2069 230.0 382.0791 130.0 459.5703 220.0 END IONS BEGIN IONS SCANS=7446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7457 PEPMASS=493.1139 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 700.0 73.014 100.0 85.0298 110.0 108.0205 310.0 109.0293 3400.0 110.0342 410.0 135.0455 570.0 137.0586 200.0 146.0259 480.0 159.0444 890.0 173.0257 450.0 179.0335 750.0 185.0218 2900.0 186.0317 510.0 197.0416 470.0 204.0295 200.0 204.8279 190.0 221.0561 120.0 224.0501 140.0 241.0795 130.0 248.0468 140.0 252.0415 170.0 277.0587 230.0 278.0534 410.0 293.0441 400.0 295.0597 170.0 295.0708 370.0 305.0742 110.0 357.0551 170.0 END IONS BEGIN IONS SCANS=7458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7465 PEPMASS=477.2298 CHARGE=-1 COLLISION_ENERGY=0.0 71.0115 170.0 73.0254 320.0 85.0301 100.0 89.0241 390.0 101.024 370.0 112.9877 380.0 113.0209 130.0 119.0318 140.0 162.0502 260.0 175.0212 130.0 208.9487 220.0 214.9941 140.0 221.0609 380.0 239.1298 110.0 268.1201 100.0 277.0997 190.0 308.1209 160.0 313.0509 120.0 323.042 200.0 335.2043 270.0 340.4964 220.0 343.1983 300.0 365.1776 170.0 366.1825 110.0 385.1411 210.0 387.1182 100.0 END IONS BEGIN IONS SCANS=7466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7472 PEPMASS=535.0902 CHARGE=-1 COLLISION_ENERGY=0.0 72.9935 780.0 109.0266 1500.0 111.0398 130.0 123.0493 140.0 126.0557 170.0 133.0289 290.0 135.0501 230.0 154.0575 180.0 158.0327 210.0 159.0482 260.0 161.02 250.0 179.0333 280.0 185.0228 640.0 205.0697 110.0 214.1134 210.0 223.0371 120.0 236.0567 160.0 248.0462 220.0 249.0501 150.0 265.0529 130.0 267.0603 160.0 293.047 1300.0 294.0465 270.0 295.058 130.0 339.0501 100.0 362.0323 100.0 END IONS BEGIN IONS SCANS=7473 PEPMASS=559.0862 CHARGE=-1 COLLISION_ENERGY=0.0 74.02 240.0 93.035 260.0 109.0313 180.0 123.0413 110.0 125.0267 130.0 146.036 360.0 147.0419 450.0 159.0443 620.0 160.0497 180.0 165.0178 180.0 173.0327 200.0 179.0325 130.0 191.0476 120.0 219.0234 130.0 225.0104 210.0 232.0487 120.0 233.0526 100.0 269.0805 270.0 291.0662 1700.0 292.058 350.0 293.0663 250.0 295.0587 110.0 301.0674 260.0 337.0314 120.0 357.1203 130.0 382.0117 110.0 END IONS BEGIN IONS SCANS=7474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7502 PEPMASS=719.1603 CHARGE=-1 COLLISION_ENERGY=0.0 115.0048 240.0 135.0424 500.0 135.0822 120.0 151.0372 210.0 162.0258 170.0 179.0342 270.0 183.9556 200.0 197.0462 700.0 198.0249 180.0 219.0288 270.0 231.0288 150.0 240.0644 200.0 242.0593 200.0 243.0657 410.0 244.0351 120.0 267.0652 270.0 271.0971 690.0 279.0677 360.0 295.0547 340.0 297.078 1300.0 298.0824 320.0 300.027 200.0 313.067 300.0 315.0522 1500.0 323.0659 270.0 335.0444 130.0 341.0708 410.0 359.0763 270.0 681.1621 100.0 END IONS BEGIN IONS SCANS=7503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7520 PEPMASS=559.0822 CHARGE=-1 COLLISION_ENERGY=0.0 60.1093 110.0 93.0386 130.0 102.9523 130.0 109.0301 980.0 110.0348 230.0 135.0363 260.0 147.0407 730.0 159.0463 620.0 173.0197 370.0 185.0142 180.0 219.0208 100.0 225.0108 100.0 233.0869 120.0 238.8971 270.0 249.0096 120.0 262.1206 200.0 291.0627 1900.0 291.1467 190.0 292.0675 440.0 295.0581 230.0 296.0665 250.0 335.0515 120.0 353.994 110.0 END IONS BEGIN IONS SCANS=7521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7526 PEPMASS=483.2002 CHARGE=-1 COLLISION_ENERGY=0.0 109.0328 120.0 148.9988 110.0 160.0445 130.0 164.0459 170.0 193.0353 170.0 266.0484 100.0 285.0311 240.0 295.0024 110.0 END IONS BEGIN IONS SCANS=7527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7542 PEPMASS=717.1474 CHARGE=-1 COLLISION_ENERGY=0.0 71.0163 120.0 109.0298 310.0 123.0451 110.0 133.0275 110.0 135.0524 120.0 161.0341 250.0 171.0456 120.0 179.0321 270.0 197.046 200.0 203.0302 540.0 215.0323 220.0 229.0101 920.0 230.0169 390.0 241.051 330.0 243.033 1200.0 267.0644 590.0 269.0808 520.0 278.0534 340.0 295.0623 1200.0 296.0545 230.0 297.0763 690.0 309.078 350.0 321.0426 1000.0 322.045 550.0 339.0491 1300.0 340.0544 590.0 342.0817 170.0 353.0673 550.0 354.0741 310.0 359.0608 160.0 365.0691 530.0 366.0584 130.0 367.0637 150.0 431.1106 340.0 475.1046 900.0 476.1036 110.0 962.5005 170.0 END IONS BEGIN IONS SCANS=7543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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72.9923 710.0 75.0004 110.0 109.0291 1400.0 121.0262 140.0 135.0443 420.0 145.0231 290.0 157.0275 180.0 159.0437 380.0 160.0507 190.0 173.0237 320.0 185.0191 820.0 186.0315 570.0 203.0248 280.0 239.0728 280.0 241.0447 130.0 249.0526 550.0 277.0429 320.0 278.0614 150.0 288.9204 110.0 295.0573 290.0 END IONS BEGIN IONS SCANS=7572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7580 PEPMASS=535.0872 CHARGE=-1 COLLISION_ENERGY=0.0 72.9965 520.0 73.0282 240.0 97.029 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85.0276 150.0 104.0378 120.0 109.0263 340.0 128.0457 100.0 135.0488 110.0 147.043 510.0 159.0403 770.0 159.073 160.0 165.048 190.0 173.0175 110.0 203.0287 230.0 249.0476 110.0 269.0716 250.0 273.1085 210.0 291.0564 1300.0 291.128 140.0 292.0656 170.0 297.0346 130.0 321.0316 150.0 335.0507 110.0 354.0848 100.0 379.0527 120.0 410.1286 100.0 453.0086 110.0 883.3594 110.0 END IONS BEGIN IONS SCANS=7589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7597 PEPMASS=0.0 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IONS SCANS=7621 PEPMASS=653.1503 CHARGE=-1 COLLISION_ENERGY=0.0 135.0488 200.0 159.0388 120.0 161.0208 160.0 165.0575 130.0 179.0292 130.0 191.0658 200.0 219.0659 160.0 265.0434 230.0 265.0911 110.0 267.0549 180.0 268.0638 250.0 305.0205 170.0 311.0507 4000.0 311.2163 200.0 311.2858 110.0 312.0544 870.0 345.0207 150.0 396.0249 110.0 491.1003 100.0 849.7668 260.0 END IONS BEGIN IONS SCANS=7622 PEPMASS=713.1706 CHARGE=-1 COLLISION_ENERGY=0.0 72.9936 520.0 87.0063 110.0 109.0262 260.0 110.0278 140.0 115.607 120.0 135.0412 410.0 135.065 120.0 143.0147 110.0 163.0376 170.0 167.0314 200.0 179.0301 230.0 185.0243 320.0 197.0393 180.0 199.0356 170.0 218.0545 210.0 231.0233 100.0 243.0233 400.0 249.0495 120.0 280.0131 140.0 285.0435 100.0 293.0438 220.0 295.0592 1100.0 313.0355 150.0 321.0382 2100.0 321.1071 260.0 337.0322 380.0 337.2063 150.0 339.0538 370.0 353.056 240.0 354.0686 180.0 359.0934 150.0 365.0533 150.0 372.0822 150.0 392.9894 190.0 471.119 170.0 475.1008 130.0 483.098 270.0 498.9867 120.0 519.0737 130.0 568.1964 110.0 575.0184 180.0 602.1079 140.0 670.1987 230.0 868.0191 160.0 954.7947 130.0 END IONS BEGIN IONS SCANS=7623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7636 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7637 PEPMASS=345.2256 CHARGE=-1 COLLISION_ENERGY=0.0 88.0459 110.0 97.0635 160.0 104.9619 110.0 126.9682 250.0 127.1092 200.0 133.0326 140.0 140.0758 140.0 151.0612 140.0 188.6739 120.0 201.1078 120.0 209.0813 100.0 END IONS BEGIN IONS SCANS=7638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7639 PEPMASS=597.2676 CHARGE=-1 COLLISION_ENERGY=0.0 71.011 180.0 83.0556 160.0 89.0289 150.0 104.0344 180.0 149.0634 110.0 213.0559 120.0 228.9176 110.0 279.0292 200.0 288.0207 140.0 339.0835 120.0 343.0047 120.0 364.1299 210.0 375.0749 140.0 377.0603 100.0 419.078 110.0 421.22 110.0 518.027 100.0 553.1847 130.0 561.2807 230.0 679.0407 130.0 967.5173 140.0 END IONS BEGIN IONS SCANS=7640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7641 PEPMASS=489.099 CHARGE=-1 COLLISION_ENERGY=0.0 89.0231 160.0 135.0435 550.0 151.0042 150.0 166.6496 100.0 179.0314 180.0 185.0215 270.0 267.0675 230.0 272.1027 220.0 284.027 1100.0 291.0207 160.0 293.0475 910.0 294.0423 140.0 300.058 120.0 311.0518 2600.0 311.1543 140.0 311.2141 110.0 312.0609 350.0 343.0832 110.0 366.1053 100.0 454.108 120.0 462.1004 110.0 END IONS BEGIN IONS SCANS=7642 PEPMASS=201.1116 CHARGE=-1 COLLISION_ENERGY=0.0 99.9294 110.0 139.1127 530.0 156.4652 110.0 767.6699 150.0 END IONS BEGIN IONS SCANS=7643 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7650 PEPMASS=201.1119 CHARGE=-1 COLLISION_ENERGY=0.0 65.9945 110.0 86.775 100.0 118.9376 120.0 659.1429 120.0 END IONS BEGIN IONS SCANS=7651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7659 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7660 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7661 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7662 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7663 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7664 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7665 PEPMASS=401.1402 CHARGE=-1 COLLISION_ENERGY=0.0 97.0639 170.0 107.4445 130.0 179.0375 250.0 180.9645 100.0 193.0493 110.0 207.081 110.0 226.1036 210.0 229.1392 140.0 249.1065 110.0 253.1267 180.0 277.1301 140.0 281.1018 130.0 329.2209 200.0 337.0792 170.0 340.2266 220.0 341.1108 170.0 343.2113 410.0 347.1082 120.0 358.207 200.0 365.1787 260.0 367.0679 180.0 369.1089 820.0 370.1155 200.0 486.4084 140.0 835.0305 100.0 END IONS BEGIN IONS SCANS=7666 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7667 PEPMASS=557.3043 CHARGE=-1 COLLISION_ENERGY=0.0 61.9945 110.0 124.0703 110.0 160.9185 110.0 173.0417 200.0 219.0439 130.0 233.263 120.0 263.1156 120.0 264.0788 120.0 378.8746 110.0 404.1995 180.0 489.2316 110.0 491.2766 110.0 521.3266 380.0 522.1866 140.0 END IONS BEGIN IONS SCANS=7668 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7670 PEPMASS=437.1508 CHARGE=-1 COLLISION_ENERGY=0.0 72.0106 180.0 97.0747 150.0 108.9923 100.0 114.9859 190.0 126.9089 140.0 142.9559 150.0 159.0033 100.0 160.9907 360.0 175.0382 190.0 177.0545 130.0 203.0366 630.0 204.0533 160.0 205.0315 220.0 243.069 160.0 259.063 300.0 261.0413 200.0 277.0442 170.0 283.0865 110.0 287.0574 440.0 301.1209 130.0 312.0359 110.0 505.3989 140.0 END IONS BEGIN IONS SCANS=7671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7677 PEPMASS=653.1508 CHARGE=-1 COLLISION_ENERGY=0.0 72.9952 110.0 85.0252 120.0 135.0459 870.0 136.0422 200.0 179.0326 120.0 213.0633 200.0 231.0865 140.0 241.8998 100.0 244.5867 110.0 265.0449 160.0 265.0873 130.0 267.0628 1100.0 267.1274 120.0 268.0705 150.0 297.1198 160.0 311.0535 7500.0 311.217 230.0 312.0559 1500.0 313.0554 380.0 327.2149 160.0 331.2465 160.0 372.1566 260.0 387.182 100.0 402.911 230.0 430.088 150.0 445.0783 110.0 455.0849 160.0 463.1795 150.0 473.1031 190.0 491.0925 1700.0 492.091 650.0 493.11 140.0 508.9969 170.0 538.2176 110.0 549.13 150.0 593.1414 110.0 620.2199 110.0 755.1668 110.0 756.2442 170.0 978.0204 160.0 END IONS BEGIN IONS SCANS=7678 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7680 PEPMASS=437.1506 CHARGE=-1 COLLISION_ENERGY=0.0 71.016 130.0 117.0604 130.0 135.0464 180.0 154.9036 190.0 173.045 110.0 179.0342 180.0 191.0565 200.0 206.0262 130.0 217.0873 150.0 219.0412 100.0 224.0739 110.0 351.212 120.0 405.1216 1600.0 405.1909 380.0 405.2663 150.0 406.1343 310.0 END IONS BEGIN IONS SCANS=7681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7683 PEPMASS=329.0663 CHARGE=-1 COLLISION_ENERGY=0.0 79.9588 170.0 109.028 290.0 121.0262 280.0 123.0443 540.0 133.0259 560.0 135.0433 240.0 149.0197 490.0 161.016 150.0 167.0331 410.0 268.0578 220.0 831.923 100.0 END IONS BEGIN IONS SCANS=7684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7687 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7690 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7691 PEPMASS=401.1395 CHARGE=-1 COLLISION_ENERGY=0.0 97.0619 130.0 136.9076 180.0 139.0325 140.0 139.1069 170.0 141.053 120.0 147.0897 160.0 148.9616 130.0 152.9344 110.0 166.1314 200.0 178.9261 120.0 188.0305 130.0 211.0615 270.0 212.0697 320.0 213.07 200.0 239.0821 220.0 240.0541 540.0 240.0983 240.0 251.0901 200.0 267.0436 350.0 268.0726 140.0 281.0963 220.0 283.0597 210.0 291.0622 180.0 325.1978 110.0 359.1251 230.0 526.4203 230.0 815.9907 180.0 END IONS BEGIN IONS SCANS=7692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7694 PEPMASS=537.2828 CHARGE=-1 COLLISION_ENERGY=0.0 72.9936 240.0 89.0388 110.0 95.0321 140.0 109.0302 160.0 135.0462 340.0 177.0354 150.0 179.0355 170.0 185.0215 170.0 201.1243 150.0 208.0531 110.0 237.0547 130.0 251.0318 100.0 267.9086 110.0 281.1457 110.0 295.0684 110.0 453.0515 230.0 504.1616 120.0 878.9191 110.0 END IONS BEGIN IONS SCANS=7695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7701 PEPMASS=743.1515 CHARGE=-1 COLLISION_ENERGY=0.0 71.0162 110.0 119.0552 100.0 123.0464 160.0 142.9759 160.0 271.0247 110.0 285.007 160.0 295.0587 150.0 333.0358 140.0 351.0598 100.0 360.9238 120.0 361.0175 110.0 372.9848 140.0 377.0305 180.0 389.0269 200.0 407.0455 190.0 434.0287 1500.0 435.034 700.0 435.1194 110.0 436.0402 280.0 449.0121 140.0 453.0003 140.0 671.0541 160.0 709.1569 110.0 799.0522 110.0 END IONS BEGIN IONS SCANS=7702 PEPMASS=469.1747 CHARGE=-1 COLLISION_ENERGY=0.0 83.0185 110.0 111.0221 130.0 113.0241 170.0 122.0738 100.0 139.0008 160.0 148.0528 1100.0 149.0541 130.0 150.625 120.0 163.0816 170.0 165.0068 110.0 179.0995 110.0 185.9989 140.0 203.0344 160.0 271.4627 110.0 276.0343 110.0 276.1065 110.0 357.1755 180.0 END IONS BEGIN IONS SCANS=7703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7706 PEPMASS=629.223 CHARGE=-1 COLLISION_ENERGY=0.0 89.0205 130.0 115.0421 110.0 121.9412 180.0 181.0528 130.0 182.048 150.0 190.053 150.0 197.041 190.0 214.9866 180.0 229.0144 300.0 233.0959 300.0 233.136 110.0 237.1149 100.0 247.0855 170.0 287.059 110.0 301.1317 100.0 320.1617 120.0 327.1322 140.0 332.0104 100.0 335.0761 110.0 355.0144 170.0 365.4446 280.0 393.526 130.0 395.0574 120.0 425.1529 120.0 431.0415 170.0 433.0327 190.0 435.2628 160.0 451.459 100.0 459.091 110.0 485.9096 150.0 487.1964 120.0 489.3768 220.0 494.1203 170.0 505.1074 110.0 543.2525 190.0 561.2185 1300.0 562.2174 420.0 573.0833 170.0 593.233 510.0 593.3113 170.0 594.2294 220.0 676.0015 210.0 880.9292 200.0 END IONS BEGIN IONS SCANS=7707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7709 PEPMASS=667.19 CHARGE=-1 COLLISION_ENERGY=0.0 95.0102 210.0 103.7447 130.0 143.1035 200.0 147.1153 170.0 151.0442 210.0 173.1265 160.0 237.0394 100.0 264.0365 220.0 300.0188 100.0 326.0424 2200.0 326.1733 120.0 327.0471 1100.0 327.1224 120.0 328.0495 200.0 466.092 150.0 607.9227 110.0 635.1619 780.0 635.2419 140.0 636.1674 280.0 637.1764 110.0 END IONS BEGIN IONS SCANS=7710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7712 PEPMASS=557.3036 CHARGE=-1 COLLISION_ENERGY=0.0 92.9239 180.0 110.0608 170.0 118.0374 260.0 130.0447 170.0 149.0172 170.0 164.9229 190.0 166.9185 270.0 173.0433 320.0 191.0449 130.0 206.0379 150.0 215.758 110.0 285.0409 100.0 287.9626 130.0 303.836 130.0 336.1577 150.0 355.1035 170.0 516.0567 110.0 END IONS BEGIN IONS SCANS=7713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7718 PEPMASS=623.1635 CHARGE=-1 COLLISION_ENERGY=0.0 63.419 120.0 85.029 120.0 87.0007 130.0 89.0244 430.0 91.0259 140.0 98.024 220.0 101.0253 210.0 119.0316 310.0 124.0153 230.0 135.036 120.0 135.042 510.0 136.0139 260.0 151.0319 160.0 161.0177 220.0 168.0512 160.0 177.0139 120.0 191.9959 140.0 192.8736 100.0 224.1217 120.0 230.0352 180.0 269.0776 590.0 283.0218 530.0 284.0313 2100.0 285.0372 460.0 298.0516 670.0 299.0533 13000.0 300.0592 2600.0 300.0615 310.0 311.046 440.0 311.0577 830.0 311.0643 460.0 312.0613 400.0 365.0317 160.0 371.1031 100.0 422.1178 130.0 440.4597 130.0 441.8356 120.0 457.0545 180.0 461.1023 120.0 461.1135 150.0 463.0516 150.0 531.2142 110.0 556.97 110.0 562.0919 100.0 563.3469 230.0 756.0164 140.0 990.9848 120.0 END IONS BEGIN IONS SCANS=7719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7726 PEPMASS=487.1226 CHARGE=-1 COLLISION_ENERGY=0.0 72.9941 110.0 89.0411 180.0 106.9573 190.0 113.0228 230.0 118.9404 170.0 123.0417 200.0 135.046 250.0 148.9454 110.0 223.072 190.0 228.0284 180.0 248.0534 230.0 265.798 150.0 266.0546 870.0 267.0631 570.0 269.0582 150.0 274.9019 140.0 325.0707 2200.0 325.2348 120.0 326.0748 940.0 327.0819 390.0 327.2119 110.0 327.2933 120.0 356.0519 110.0 429.2893 200.0 END IONS BEGIN IONS SCANS=7727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7740 PEPMASS=599.1888 CHARGE=-1 COLLISION_ENERGY=0.0 84.0059 120.0 102.9476 260.0 125.8678 110.0 138.0317 130.0 236.8614 180.0 293.071 230.0 327.2054 160.0 336.0911 100.0 338.1101 130.0 353.0975 200.0 371.7763 120.0 393.1395 170.0 401.1386 100.0 423.169 180.0 490.9732 110.0 514.1032 120.0 570.1638 110.0 738.4548 120.0 END IONS BEGIN IONS SCANS=7741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7743 PEPMASS=493.2293 CHARGE=-1 COLLISION_ENERGY=0.0 71.0156 340.0 72.9923 100.0 73.0286 180.0 89.024 220.0 93.037 270.0 101.0229 110.0 109.0303 230.0 119.0374 100.0 131.0363 110.0 135.044 180.0 154.8929 120.0 161.0238 150.0 173.023 140.0 175.1122 100.0 185.0245 280.0 224.9571 180.0 235.074 130.0 252.2048 100.0 313.0218 140.0 314.2452 120.0 329.2496 110.0 431.2746 140.0 582.0557 120.0 695.1253 160.0 END IONS BEGIN IONS SCANS=7744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7746 PEPMASS=909.1905 CHARGE=-1 COLLISION_ENERGY=0.0 60.2266 100.0 68.9549 130.0 85.039 100.0 312.0519 200.0 339.0582 350.0 353.7952 100.0 357.0677 220.0 365.0689 210.0 389.0841 360.0 390.0862 390.0 391.0859 190.0 431.1043 140.0 475.105 610.0 476.0824 200.0 477.1004 100.0 479.3598 110.0 513.0698 130.0 519.0941 1700.0 519.2059 140.0 520.1006 490.0 521.0926 200.0 524.4272 170.0 667.1207 150.0 673.1321 120.0 693.1014 100.0 711.1634 110.0 712.1384 140.0 715.1489 100.0 811.071 230.0 869.1569 130.0 END IONS BEGIN IONS SCANS=7747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7751 PEPMASS=483.2014 CHARGE=-1 COLLISION_ENERGY=0.0 121.0245 110.0 122.0318 150.0 140.0399 120.0 143.0804 120.0 150.9113 190.0 164.9372 100.0 177.0189 100.0 178.0207 190.0 201.7913 160.0 205.0705 160.0 205.1989 110.0 209.0789 140.0 224.0231 260.0 241.1333 900.0 277.0577 100.0 295.0646 140.0 297.0557 130.0 308.0177 140.0 345.2324 110.0 445.0373 210.0 END IONS BEGIN IONS SCANS=7752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7757 PEPMASS=590.1274 CHARGE=-1 COLLISION_ENERGY=0.0 61.9885 170.0 72.9962 180.0 105.6175 110.0 125.02 120.0 130.0916 100.0 135.046 970.0 135.0904 150.0 191.908 140.0 264.8982 120.0 266.0866 120.0 279.0721 240.0 281.0746 150.0 311.0529 1100.0 312.0563 260.0 313.0196 170.0 322.0432 140.0 323.0579 390.0 343.0141 170.0 361.5288 240.0 363.1691 150.0 525.3089 170.0 546.1919 130.0 708.0143 120.0 END IONS BEGIN IONS SCANS=7758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7759 PEPMASS=415.1066 CHARGE=-1 COLLISION_ENERGY=0.0 135.0441 790.0 158.8642 130.0 161.0195 180.0 179.0299 180.0 190.0618 120.0 191.0667 280.0 197.0433 260.0 235.0766 100.0 236.0537 140.0 253.0703 770.0 253.1219 130.0 260.7946 120.0 343.1168 170.0 379.0307 110.0 519.9502 110.0 END IONS BEGIN IONS SCANS=7760 PEPMASS=459.1823 CHARGE=-1 COLLISION_ENERGY=0.0 119.0411 120.0 135.0436 350.0 173.0478 110.0 207.0091 180.0 240.0601 160.0 255.1602 130.0 256.0746 140.0 259.0309 140.0 343.0951 130.0 727.0576 130.0 END IONS BEGIN IONS SCANS=7761 PEPMASS=489.1565 CHARGE=-1 COLLISION_ENERGY=0.0 101.0289 150.0 136.0509 210.0 161.0255 320.0 179.0695 130.0 185.0207 310.0 234.9881 110.0 256.1227 260.0 259.0968 140.0 285.0389 160.0 291.1239 1800.0 292.1236 170.0 295.0618 290.0 311.0617 150.0 313.0703 270.0 315.1901 250.0 329.236 140.0 339.0525 210.0 360.9348 100.0 363.0642 140.0 394.1428 120.0 447.0958 160.0 447.2174 280.0 453.1796 120.0 459.1539 130.0 525.0326 180.0 577.0479 120.0 659.0587 110.0 END IONS BEGIN IONS SCANS=7762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7765 PEPMASS=971.3484 CHARGE=-1 COLLISION_ENERGY=0.0 90.0302 170.0 119.0356 100.0 149.0546 210.0 150.0379 120.0 151.0387 180.0 165.0491 800.0 166.0594 210.0 181.0468 140.0 195.0659 1100.0 214.0661 160.0 311.1058 120.0 329.1012 120.0 350.9907 130.0 356.0305 100.0 387.1494 120.0 417.1529 350.0 450.2734 260.0 471.1727 110.0 557.2689 100.0 565.2043 730.0 566.2071 430.0 567.21 230.0 595.2119 120.0 596.2087 160.0 613.2406 270.0 615.2136 130.0 693.2355 130.0 713.2504 240.0 714.255 450.0 715.2607 140.0 743.2459 150.0 744.2424 170.0 748.9526 200.0 809.2907 100.0 825.2074 110.0 END IONS BEGIN IONS SCANS=7766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7768 PEPMASS=177.0566 CHARGE=-1 COLLISION_ENERGY=0.0 88.8202 120.0 89.0417 180.0 93.0379 140.0 117.0333 3600.0 117.0646 210.0 117.1012 150.0 118.0351 760.0 145.0245 110.0 339.5518 150.0 448.7932 110.0 END IONS BEGIN IONS SCANS=7769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7771 PEPMASS=667.1913 CHARGE=-1 COLLISION_ENERGY=0.0 71.0141 200.0 96.9223 110.0 101.0186 130.0 123.0445 290.0 135.0408 430.0 150.9945 270.0 189.0287 100.0 197.0433 250.0 205.0119 110.0 229.0022 120.0 270.0559 110.0 280.0421 260.0 281.043 340.0 283.0416 170.0 326.0452 2200.0 326.1266 210.0 327.0523 1100.0 327.1888 150.0 330.0415 150.0 337.0339 510.0 361.2898 180.0 420.2386 140.0 496.1115 110.0 621.1291 130.0 635.1655 500.0 636.1672 150.0 637.0596 120.0 726.9801 220.0 984.88 100.0 END IONS BEGIN IONS SCANS=7772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7776 PEPMASS=971.3489 CHARGE=-1 COLLISION_ENERGY=0.0 117.9254 110.0 144.9967 210.0 145.0555 120.0 165.0528 1100.0 166.0562 170.0 179.0663 140.0 181.0504 120.0 195.0664 1400.0 196.0634 460.0 231.0913 120.0 278.8215 110.0 346.0396 140.0 387.1391 150.0 417.1532 350.0 418.1428 100.0 472.1432 130.0 537.2799 270.0 565.2022 860.0 566.2072 190.0 577.1877 130.0 613.2462 220.0 679.2577 120.0 713.2572 950.0 714.2522 140.0 715.2783 110.0 731.2862 120.0 739.2649 110.0 760.2417 190.0 761.2783 140.0 773.303 140.0 809.2887 380.0 809.3673 130.0 825.1848 160.0 906.1606 110.0 END IONS BEGIN IONS SCANS=7777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7788 PEPMASS=705.3779 CHARGE=-1 COLLISION_ENERGY=0.0 89.0234 160.0 95.0184 240.0 159.0273 280.0 167.0292 150.0 233.1442 180.0 295.069 110.0 303.7389 120.0 348.1292 180.0 374.9649 180.0 507.3562 340.0 508.3406 200.0 669.4062 640.0 670.3967 200.0 673.3744 100.0 END IONS BEGIN IONS SCANS=7789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7794 PEPMASS=735.1695 CHARGE=-1 COLLISION_ENERGY=0.0 74.6505 120.0 104.9511 260.0 137.025 180.0 137.0517 110.0 137.3011 110.0 147.043 280.0 148.0475 120.0 153.2517 160.0 159.0419 340.0 175.0407 240.0 177.0572 370.0 179.0289 340.0 197.0486 180.0 201.0117 140.0 201.0586 130.0 203.0423 110.0 219.0277 740.0 219.1378 200.0 239.1321 100.0 259.0977 120.0 269.0827 610.0 270.0917 230.0 291.0594 150.0 295.0603 360.0 299.0882 210.0 305.1777 130.0 311.0792 210.0 313.0689 230.0 325.0426 250.0 335.0562 190.0 337.0383 320.0 353.06 380.0 357.0939 170.0 359.0185 170.0 360.0078 140.0 375.0718 280.0 379.0437 380.0 405.1502 120.0 414.394 120.0 441.0465 110.0 472.102 130.0 578.0701 250.0 765.0574 110.0 957.956 150.0 END IONS BEGIN IONS SCANS=7795 PEPMASS=669.4024 CHARGE=-1 COLLISION_ENERGY=0.0 71.0154 330.0 83.0136 260.0 89.0221 580.0 101.0235 370.0 102.0285 100.0 111.0023 170.0 113.02 220.0 119.0295 210.0 130.0456 140.0 159.0299 110.0 164.0412 120.0 182.075 130.0 260.0484 120.0 299.0216 110.0 311.0686 110.0 448.8609 120.0 507.3556 190.0 508.3527 280.0 END IONS BEGIN IONS SCANS=7796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7798 PEPMASS=533.2485 CHARGE=-1 COLLISION_ENERGY=0.0 124.0763 150.0 135.0401 400.0 154.0202 230.0 166.018 230.0 197.0172 280.0 221.076 190.0 237.6052 120.0 252.2235 100.0 277.0421 110.0 279.107 240.0 293.0496 140.0 296.0242 120.0 299.0881 130.0 311.0545 190.0 335.0223 170.0 335.2247 320.0 337.0306 140.0 353.0212 230.0 410.1815 170.0 434.584 170.0 445.1557 120.0 464.7572 120.0 467.4557 260.0 END IONS BEGIN IONS SCANS=7799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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72.0067 150.0 72.9917 100.0 91.0499 200.0 99.0444 150.0 103.0506 180.0 117.035 150.0 134.0339 190.0 135.044 3100.0 136.0462 500.0 147.045 460.0 154.899 110.0 159.0372 120.0 161.0232 550.0 164.0739 120.0 173.8878 170.0 201.113 100.0 229.0589 150.0 229.1898 130.0 242.1436 130.0 263.8594 140.0 284.0883 250.0 291.2036 110.0 619.981 210.0 END IONS BEGIN IONS SCANS=7824 PEPMASS=343.0817 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 300.0 73.0301 110.0 96.9644 120.0 119.0495 1600.0 133.0281 2100.0 134.0355 460.0 135.045 2100.0 144.9429 240.0 145.0253 250.0 161.0227 1500.0 162.0242 270.0 163.0378 1100.0 165.0463 120.0 175.1444 100.0 182.063 180.0 205.075 130.0 214.1062 130.0 411.6826 120.0 599.2656 100.0 END IONS BEGIN IONS SCANS=7825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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SCANS=7836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7837 PEPMASS=343.0838 CHARGE=-1 COLLISION_ENERGY=0.0 72.9943 260.0 133.0221 720.0 134.0327 210.0 135.0422 1400.0 135.0683 210.0 145.0283 430.0 145.0325 310.0 161.0221 8700.0 162.0251 860.0 163.0416 690.0 179.0436 230.0 181.0488 2600.0 182.0623 220.0 280.9788 160.0 END IONS BEGIN IONS SCANS=7838 PEPMASS=515.2943 CHARGE=-1 COLLISION_ENERGY=0.0 109.029 120.0 179.0376 310.0 240.9785 260.0 259.1188 130.0 441.0446 170.0 669.7408 110.0 END IONS BEGIN IONS SCANS=7839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7842 PEPMASS=537.283 CHARGE=-1 COLLISION_ENERGY=0.0 72.9907 260.0 89.0266 160.0 109.0294 190.0 123.042 360.0 135.0404 480.0 137.0201 130.0 161.0219 100.0 163.0392 110.0 165.0032 260.0 169.1238 120.0 185.0173 130.0 203.0338 140.0 216.999 270.0 217.112 140.0 234.9456 100.0 236.9915 180.0 267.066 290.0 277.0583 240.0 283.0592 160.0 293.0463 170.0 295.0608 530.0 296.0528 200.0 306.0404 140.0 314.0619 120.0 321.0455 110.0 354.0646 120.0 361.0716 180.0 470.9709 100.0 END IONS BEGIN IONS SCANS=7843 PEPMASS=421.2 CHARGE=-1 COLLISION_ENERGY=0.0 79.9548 290.0 92.9261 130.0 100.0017 170.0 114.9823 130.0 119.0546 200.0 164.9218 110.0 172.9765 220.0 197.0512 280.0 201.0104 130.0 203.028 100.0 215.0752 200.0 223.0442 120.0 223.0917 240.0 252.8446 140.0 290.8828 150.0 END IONS BEGIN IONS SCANS=7844 PEPMASS=431.227 CHARGE=-1 COLLISION_ENERGY=0.0 61.988 380.0 74.028 110.0 85.027 150.0 93.0311 150.0 106.0406 230.0 111.08 170.0 153.7226 110.0 158.9732 140.0 181.0401 260.0 243.0095 150.0 243.0844 150.0 END IONS BEGIN IONS SCANS=7845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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220.0 107.048 200.0 119.0476 480.0 133.0285 1300.0 134.0339 580.0 135.0439 920.0 161.0218 600.0 163.0386 230.0 172.9711 290.0 181.0487 120.0 193.0753 190.0 197.1198 270.0 205.0772 790.0 205.1325 140.0 227.1218 190.0 232.0619 140.0 233.0711 270.0 237.1382 260.0 266.092 130.0 651.1282 110.0 END IONS BEGIN IONS SCANS=7861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7869 PEPMASS=591.1615 CHARGE=-1 COLLISION_ENERGY=0.0 71.0068 170.0 114.0543 110.0 149.0211 110.0 165.0557 150.0 195.0607 220.0 233.0586 200.0 241.0954 120.0 247.1142 120.0 341.1041 360.0 411.8222 110.0 478.077 180.0 491.0928 130.0 507.1724 110.0 525.1655 100.0 531.1919 240.0 532.2532 120.0 537.153 100.0 538.298 100.0 555.1845 810.0 556.1826 460.0 561.2316 140.0 676.1519 110.0 831.9607 120.0 846.2238 140.0 END IONS BEGIN IONS SCANS=7870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7878 PEPMASS=351.1579 CHARGE=-1 COLLISION_ENERGY=0.0 84.2824 110.0 108.0433 160.0 108.2466 110.0 146.9363 260.0 263.1261 150.0 END IONS BEGIN IONS SCANS=7879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7882 PEPMASS=569.1798 CHARGE=-1 COLLISION_ENERGY=0.0 135.0478 140.0 174.9523 150.0 179.0244 100.0 195.0447 210.0 273.9843 110.0 290.0807 140.0 307.187 110.0 323.1236 120.0 510.1451 100.0 915.5473 150.0 END IONS BEGIN IONS SCANS=7883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7887 PEPMASS=361.1861 CHARGE=-1 COLLISION_ENERGY=0.0 71.0162 140.0 96.9577 330.0 111.0745 190.0 120.9376 260.0 147.0712 230.0 147.1123 240.0 191.0348 120.0 202.0046 110.0 301.5236 110.0 END IONS BEGIN IONS SCANS=7888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7891 PEPMASS=555.1872 CHARGE=-1 COLLISION_ENERGY=0.0 135.0386 360.0 136.0169 100.0 136.0469 200.0 149.0212 150.0 150.031 500.0 151.0341 200.0 161.0199 200.0 164.0444 380.0 165.0529 360.0 180.069 240.0 213.0189 110.0 227.0258 120.0 234.049 140.0 277.1037 140.0 295.9372 130.0 311.0521 350.0 313.058 150.0 315.0758 130.0 328.0973 170.0 328.6233 140.0 334.0065 110.0 364.9932 100.0 383.0707 150.0 468.0285 110.0 477.1449 130.0 609.8485 100.0 700.8076 120.0 END IONS BEGIN IONS SCANS=7892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7895 PEPMASS=655.3477 CHARGE=-1 COLLISION_ENERGY=0.0 97.4398 220.0 100.0883 110.0 200.4815 110.0 242.9366 140.0 251.1189 110.0 307.1073 110.0 419.1157 110.0 428.1873 100.0 433.246 170.0 443.2348 110.0 449.2635 150.0 481.3368 240.0 490.9174 110.0 499.1412 140.0 518.167 100.0 525.8565 140.0 527.0614 110.0 528.3235 240.0 551.9468 130.0 613.1696 240.0 END IONS BEGIN IONS SCANS=7896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7901 PEPMASS=466.1726 CHARGE=-1 COLLISION_ENERGY=0.0 66.0029 150.0 82.0284 180.0 85.031 470.0 86.0316 120.0 87.0441 120.0 99.958 240.0 114.9755 100.0 130.0858 810.0 135.0414 110.0 146.054 130.0 149.9653 170.0 156.1013 110.0 158.0796 230.0 161.025 170.0 201.0153 150.0 206.1102 300.0 227.0356 100.0 260.1408 150.0 275.0205 120.0 304.1362 200.0 305.1326 190.0 317.029 180.0 333.8861 210.0 359.9409 150.0 395.0989 170.0 964.9073 140.0 END IONS BEGIN IONS SCANS=7902 PEPMASS=343.0817 CHARGE=-1 COLLISION_ENERGY=0.0 60.0547 170.0 69.0332 100.0 71.0117 130.0 72.9926 230.0 93.0352 210.0 107.0531 430.0 119.0488 1100.0 133.0276 3600.0 134.032 510.0 134.0415 270.0 135.0448 2200.0 161.023 1800.0 161.0648 110.0 162.025 110.0 162.9517 110.0 163.0396 560.0 182.0586 130.0 201.1079 140.0 208.9625 100.0 209.1162 260.0 END IONS BEGIN IONS SCANS=7903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7906 PEPMASS=731.1608 CHARGE=-1 COLLISION_ENERGY=0.0 89.0199 210.0 94.0695 160.0 109.0292 220.0 129.8665 110.0 157.0248 150.0 203.0298 170.0 207.0229 130.0 229.0135 400.0 245.0419 130.0 251.0647 100.0 268.0554 110.0 269.0771 170.0 277.058 150.0 293.0409 210.0 295.0589 450.0 313.0655 1000.0 314.0787 240.0 321.051 180.0 338.0294 180.0 339.0478 590.0 340.0559 240.0 397.0814 160.0 398.1051 210.0 457.0694 130.0 475.0999 130.0 544.1801 170.0 918.303 100.0 END IONS BEGIN IONS SCANS=7907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7923 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7941 PEPMASS=983.2799 CHARGE=-1 COLLISION_ENERGY=0.0 94.9241 140.0 145.0293 810.0 146.029 370.0 162.194 140.0 163.0375 210.0 178.0613 110.0 205.0464 150.0 233.0876 110.0 247.056 160.0 297.1021 160.0 307.0774 120.0 309.1052 120.0 323.0858 150.0 333.1362 240.0 337.1159 110.0 341.1041 110.0 367.0791 500.0 368.0769 110.0 409.0806 190.0 467.1318 150.0 469.1419 900.0 470.1349 280.0 471.1376 110.0 483.1289 120.0 485.1404 130.0 509.1289 110.0 608.1979 150.0 635.1785 100.0 647.198 200.0 664.1796 180.0 793.2274 1800.0 793.4149 100.0 793.5057 110.0 794.2494 370.0 794.4944 110.0 809.2089 240.0 810.2053 130.0 837.2145 760.0 838.2385 100.0 845.7393 120.0 879.2155 110.0 916.1247 170.0 939.3155 230.0 940.2878 110.0 END IONS BEGIN IONS SCANS=7942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7945 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7947 PEPMASS=737.1117 CHARGE=-1 COLLISION_ENERGY=0.0 65.9536 110.0 135.0344 210.0 135.0455 160.0 203.0328 230.0 208.0482 150.0 219.0242 270.0 235.0323 110.0 263.0475 110.0 265.0407 190.0 265.0583 160.0 266.0321 110.0 271.0484 200.0 287.0317 170.0 337.0334 9200.0 337.1978 460.0 337.2395 180.0 338.0354 3000.0 339.0494 210.0 342.2264 180.0 355.0542 100.0 359.0166 1200.0 359.0961 130.0 360.0285 140.0 360.1211 120.0 377.0185 140.0 415.0677 100.0 591.0185 120.0 774.0638 100.0 END IONS BEGIN IONS SCANS=7948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7953 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7956 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7957 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7958 PEPMASS=715.1306 CHARGE=-1 COLLISION_ENERGY=0.0 72.9935 140.0 92.9319 150.0 144.4744 150.0 157.1216 140.0 179.043 220.0 185.0352 100.0 265.0487 320.0 280.0313 180.0 291.0251 260.0 321.0516 160.0 337.0369 13000.0 338.0394 3200.0 338.1172 150.0 339.046 990.0 340.2154 110.0 357.0715 100.0 393.9757 140.0 473.0945 110.0 517.0761 1100.0 518.0914 480.0 519.1123 130.0 536.1069 110.0 END IONS BEGIN IONS SCANS=7959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7964 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7965 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7966 PEPMASS=466.1718 CHARGE=-1 COLLISION_ENERGY=0.0 84.0117 130.0 91.0387 190.0 102.956 230.0 114.0498 110.0 130.0937 180.0 164.9217 160.0 191.0431 230.0 218.9322 160.0 290.1213 180.0 297.1147 150.0 304.1409 1200.0 305.1371 230.0 305.8724 150.0 315.3532 100.0 330.0634 130.0 374.1815 130.0 381.0959 110.0 406.1707 120.0 408.1497 110.0 675.2703 230.0 995.5156 120.0 END IONS BEGIN IONS SCANS=7967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7970 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7971 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7973 PEPMASS=559.2934 CHARGE=-1 COLLISION_ENERGY=0.0 101.0246 140.0 112.9835 130.0 113.0218 130.0 185.0741 100.0 209.0695 110.0 292.0434 140.0 315.1193 120.0 325.2017 270.0 327.2109 300.0 334.0215 160.0 342.8377 130.0 424.8492 100.0 432.8243 190.0 460.0717 140.0 495.1649 120.0 501.1203 110.0 502.2437 110.0 523.2456 150.0 523.3516 160.0 525.3329 140.0 END IONS BEGIN IONS SCANS=7974 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7976 PEPMASS=419.0537 CHARGE=-1 COLLISION_ENERGY=0.0 72.995 130.0 89.0245 120.0 98.2457 120.0 101.0263 130.0 128.0016 170.0 128.0368 190.0 135.0443 2600.0 145.0256 220.0 145.0493 150.0 151.0361 100.0 159.0452 220.0 179.0404 140.0 197.0439 480.0 198.04 190.0 198.052 120.0 203.0335 8100.0 203.1378 190.0 203.145 160.0 203.165 180.0 203.2715 150.0 204.0381 1600.0 275.1519 210.0 292.0382 140.0 292.0972 100.0 301.1477 110.0 329.0533 190.0 337.2668 130.0 338.0295 160.0 349.2015 130.0 381.0561 280.0 383.0741 5300.0 383.2509 240.0 384.0758 910.0 384.087 380.0 394.9556 170.0 445.0207 230.0 601.4479 110.0 858.8588 110.0 END IONS BEGIN IONS SCANS=7977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7985 PEPMASS=383.0773 CHARGE=-1 COLLISION_ENERGY=0.0 71.0537 110.0 72.9937 1100.0 93.0319 100.0 100.0228 190.0 123.047 260.0 131.0479 260.0 134.0398 170.0 135.0469 2900.0 136.049 310.0 159.0425 3100.0 160.0452 180.0 161.018 220.0 178.0278 160.0 179.0255 170.0 179.0309 360.0 203.0314 250.0 203.0357 390.0 204.0425 110.0 219.0319 250.0 265.0615 140.0 266.0573 130.0 317.9437 120.0 330.1475 140.0 461.8388 260.0 871.1391 140.0 END IONS BEGIN IONS SCANS=7986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7987 PEPMASS=357.0623 CHARGE=-1 COLLISION_ENERGY=0.0 72.9919 180.0 74.0311 170.0 77.0392 190.0 93.0335 150.0 109.0262 120.0 115.0391 160.0 128.0754 130.0 135.0434 820.0 136.0437 170.0 151.05 150.0 158.8953 160.0 161.0277 490.0 171.102 270.0 179.0346 370.0 197.0413 350.0 203.0273 110.0 225.108 220.0 231.9102 110.0 243.1151 270.0 252.1406 120.0 258.7666 260.0 270.0042 170.0 286.0271 150.0 295.0643 150.0 337.0346 1200.0 552.0745 270.0 885.1151 130.0 END IONS BEGIN IONS SCANS=7988 PEPMASS=409.0703 CHARGE=-1 COLLISION_ENERGY=0.0 125.0622 110.0 135.0433 1800.0 175.0389 500.0 176.0505 360.0 179.0323 690.0 193.0532 170.0 197.0443 1600.0 198.0466 170.0 235.0821 110.0 261.8861 110.0 315.0172 170.0 337.0365 240.0 344.1197 100.0 366.1289 180.0 371.0758 250.0 453.0266 140.0 END IONS BEGIN IONS SCANS=7989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7994 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7995 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7997 PEPMASS=199.1327 CHARGE=-1 COLLISION_ENERGY=0.0 60.0964 110.0 117.9254 140.0 286.0778 160.0 928.8343 150.0 END IONS BEGIN IONS SCANS=7998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7999 PEPMASS=548.0931 CHARGE=-1 COLLISION_ENERGY=0.0 79.0575 110.0 89.0207 210.0 107.0511 300.0 109.0291 170.0 135.0448 1200.0 136.0436 260.0 147.043 180.0 149.0213 170.0 159.045 200.0 163.032 110.0 173.0218 230.0 179.0376 140.0 197.0411 210.0 219.0206 110.0 229.0196 190.0 231.9134 130.0 268.0725 170.0 269.0822 370.0 277.046 210.0 289.0526 150.0 294.0429 160.0 295.0604 1100.0 312.061 210.0 313.0741 270.0 314.0772 180.0 323.0529 160.0 339.0476 250.0 343.0235 180.0 351.0486 150.0 353.0598 390.0 361.037 190.0 367.0482 120.0 379.0436 240.0 409.1163 130.0 END IONS BEGIN IONS SCANS=8000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8001 PEPMASS=489.1036 CHARGE=-1 COLLISION_ENERGY=0.0 75.0032 100.0 115.0372 120.0 135.0404 360.0 148.946 110.0 166.9238 140.0 211.0585 120.0 266.0149 120.0 275.0553 120.0 285.0397 2200.0 285.1424 150.0 286.0406 690.0 312.0601 120.0 338.0334 190.0 376.8504 270.0 396.0795 130.0 398.1225 230.0 443.0356 150.0 460.1208 230.0 604.0906 120.0 END IONS BEGIN IONS SCANS=8002 PEPMASS=555.187 CHARGE=-1 COLLISION_ENERGY=0.0 62.0639 270.0 92.9294 170.0 133.0259 150.0 136.0469 110.0 137.0242 160.0 142.9379 180.0 150.0282 740.0 152.0544 120.0 153.0533 130.0 154.0483 140.0 165.0549 1100.0 178.0153 110.0 212.0407 110.0 267.067 170.0 281.0366 160.0 285.0344 150.0 293.034 250.0 295.0692 230.0 299.0421 200.0 311.0739 210.0 314.0749 440.0 314.2612 160.0 315.0793 250.0 337.0368 110.0 342.1011 110.0 355.1504 100.0 375.104 110.0 514.1692 130.0 730.91 110.0 END IONS BEGIN IONS SCANS=8003 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8005 PEPMASS=409.0687 CHARGE=-1 COLLISION_ENERGY=0.0 120.2565 110.0 135.0447 1500.0 136.0447 260.0 161.019 520.0 175.0399 1500.0 179.0339 810.0 197.0417 1100.0 197.1038 170.0 198.0496 220.0 217.9615 150.0 310.1581 120.0 337.0411 150.0 359.0138 150.0 373.0826 130.0 510.7238 180.0 END IONS BEGIN IONS SCANS=8006 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8009 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8010 PEPMASS=0.0 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376.0585 130.0 431.0318 120.0 461.3308 190.0 485.1909 250.0 487.3328 140.0 505.3489 150.0 506.3235 240.0 507.3303 300.0 522.1248 220.0 526.9322 150.0 533.9136 110.0 602.2082 110.0 653.3982 130.0 667.3961 1100.0 668.3855 270.0 669.4006 300.0 670.3852 210.0 733.8466 140.0 742.2909 160.0 850.012 110.0 875.2495 110.0 END IONS BEGIN IONS SCANS=8021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8022 PEPMASS=591.1633 CHARGE=-1 COLLISION_ENERGY=0.0 93.0347 130.0 114.0503 130.0 145.0194 250.0 150.0321 290.0 165.0558 740.0 194.0531 180.0 252.9105 140.0 267.0746 110.0 283.0553 130.0 285.0361 200.0 293.2186 130.0 295.0547 120.0 314.0677 120.0 327.0708 110.0 329.0973 370.0 338.1301 210.0 341.0977 150.0 365.0644 120.0 366.9834 120.0 374.0018 130.0 477.1677 200.0 646.078 170.0 926.2612 230.0 END IONS BEGIN IONS SCANS=8023 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8027 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8029 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8030 PEPMASS=433.1565 CHARGE=-1 COLLISION_ENERGY=0.0 61.9893 200.0 135.0428 1500.0 135.6099 100.0 136.0483 240.0 145.0563 110.0 161.0198 130.0 162.0529 110.0 179.0356 680.0 197.0419 1100.0 198.0604 190.0 221.0796 500.0 221.1238 130.0 224.0241 110.0 233.0604 120.0 238.9825 320.0 263.0226 180.0 282.0336 140.0 298.1378 130.0 305.0626 110.0 353.1213 180.0 399.147 170.0 402.1162 200.0 613.0061 160.0 END IONS BEGIN IONS SCANS=8031 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8033 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8034 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SCANS=8040 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8043 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8048 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8050 PEPMASS=373.0924 CHARGE=-1 COLLISION_ENERGY=0.0 72.9913 700.0 88.0325 250.0 102.9792 240.0 122.0363 300.0 123.0424 430.0 126.8798 130.0 134.0363 330.0 135.0439 640.0 155.1036 160.0 160.0134 290.0 179.0296 110.0 193.049 170.0 201.1141 190.0 208.8764 140.0 209.1132 190.0 214.8827 190.0 222.9445 120.0 720.853 140.0 720.9217 110.0 END IONS BEGIN IONS SCANS=8051 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8053 PEPMASS=409.0694 CHARGE=-1 COLLISION_ENERGY=0.0 72.9951 530.0 73.9979 150.0 91.053 200.0 109.0357 140.0 123.046 170.0 133.0277 160.0 134.0326 280.0 135.0438 2300.0 136.0525 210.0 160.0136 1800.0 161.0138 210.0 175.0391 610.0 179.0322 200.0 180.0345 310.0 193.0463 200.0 END IONS BEGIN IONS SCANS=8054 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8055 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8056 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8057 PEPMASS=548.0942 CHARGE=-1 COLLISION_ENERGY=0.0 72.9933 780.0 92.9283 110.0 101.0218 180.0 109.0288 270.0 123.0432 320.0 135.0449 1500.0 135.1524 120.0 147.0457 270.0 151.0398 170.0 160.0429 110.0 163.0417 120.0 179.0377 150.0 197.0443 210.0 203.0307 410.0 211.0266 200.0 229.0173 270.0 266.0566 160.0 269.0771 150.0 283.056 260.0 291.0579 190.0 295.0625 790.0 296.0633 150.0 313.0733 140.0 314.0214 130.0 314.0688 180.0 336.0695 160.0 339.0618 120.0 343.0145 250.0 354.0694 120.0 357.0649 120.0 367.994 160.0 372.1763 160.0 458.1201 180.0 END IONS BEGIN IONS SCANS=8058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8060 PEPMASS=441.0804 CHARGE=-1 COLLISION_ENERGY=0.0 79.0503 150.0 83.268 110.0 93.0331 510.0 93.0654 120.0 119.0446 240.0 130.9655 290.0 135.0433 4400.0 135.1493 270.0 136.0425 250.0 137.0441 200.0 165.0489 160.0 175.0375 160.0 177.0398 270.0 178.0268 170.0 179.0313 240.0 193.047 430.0 201.1099 120.0 207.0641 140.0 215.0791 140.0 285.0409 100.0 295.0204 160.0 307.0113 100.0 325.0541 140.0 337.0319 270.0 338.9709 160.0 345.066 130.0 355.0157 100.0 359.0085 230.0 369.168 110.0 387.0521 240.0 396.077 180.0 408.0957 110.0 492.1923 130.0 492.9767 100.0 511.0184 120.0 512.6997 110.0 725.9013 130.0 975.8663 140.0 END IONS BEGIN IONS SCANS=8061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8065 PEPMASS=537.6041 CHARGE=-1 COLLISION_ENERGY=0.0 72.991 760.0 80.3287 100.0 109.0294 350.0 110.0229 150.0 123.0418 430.0 135.0434 1500.0 136.0393 150.0 137.0227 150.0 161.0244 510.0 170.1222 260.0 173.0261 150.0 179.0312 540.0 185.0176 370.0 197.0515 180.0 213.0374 260.0 215.0152 110.0 219.0275 330.0 229.0154 390.0 230.0189 340.0 241.0479 150.0 267.0732 340.0 278.0475 230.0 283.0552 780.0 295.0547 970.0 296.0576 310.0 297.0558 230.0 307.0484 270.0 310.0774 100.0 321.0714 210.0 339.0403 420.0 340.0507 240.0 357.0608 230.0 365.0604 220.0 400.025 110.0 504.1723 120.0 END IONS BEGIN IONS SCANS=8066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8067 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8068 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8069 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8070 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8071 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8072 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8073 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8074 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8075 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8079 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8085 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8086 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8087 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8088 PEPMASS=497.1814 CHARGE=-1 COLLISION_ENERGY=0.0 70.2094 130.0 71.0148 320.0 78.9617 130.0 81.036 110.0 83.0156 140.0 89.0223 250.0 161.0357 260.0 164.9228 130.0 180.0395 230.0 206.1304 150.0 234.9122 150.0 284.8467 100.0 375.0732 140.0 408.1804 120.0 452.7253 150.0 END IONS BEGIN IONS SCANS=8089 PEPMASS=971.3521 CHARGE=-1 COLLISION_ENERGY=0.0 71.0104 250.0 125.0169 130.0 140.3554 130.0 149.0611 190.0 163.0348 160.0 165.0554 740.0 168.8322 170.0 195.0627 1500.0 196.0783 110.0 327.0373 120.0 383.0219 120.0 387.1489 130.0 417.1579 330.0 565.2015 220.0 566.2015 210.0 587.0573 100.0 613.2074 280.0 613.2589 110.0 629.4276 200.0 630.9898 130.0 638.7325 110.0 699.0911 110.0 713.2664 160.0 714.2319 180.0 761.2728 110.0 791.2907 120.0 794.3182 120.0 802.269 110.0 852.3379 110.0 END IONS BEGIN IONS SCANS=8090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8095 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8096 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8097 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8098 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8099 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8100 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8101 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8102 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8105 PEPMASS=576.1263 CHARGE=-1 COLLISION_ENERGY=0.0 133.0311 260.0 135.0496 160.0 149.0288 120.0 161.0232 270.0 162.031 160.0 179.0374 450.0 197.0486 160.0 219.035 170.0 321.9687 110.0 341.0625 3100.0 341.2309 130.0 342.067 820.0 343.0862 180.0 359.0877 290.0 397.0819 150.0 530.2555 180.0 540.1516 1000.0 541.1604 340.0 541.2189 100.0 542.1563 170.0 END IONS BEGIN IONS SCANS=8106 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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210.0 291.063 4700.0 291.1708 140.0 292.0693 960.0 295.0608 790.0 313.0782 230.0 317.0445 650.0 318.0473 170.0 321.0347 260.0 335.0536 5200.0 336.0599 750.0 361.029 630.0 379.0436 910.0 380.0543 210.0 380.0651 100.0 382.052 150.0 432.0398 270.0 434.098 160.0 471.0929 110.0 498.0743 100.0 515.0881 650.0 515.0999 330.0 516.0871 230.0 516.1069 300.0 559.08 160.0 559.0919 310.0 560.0959 120.0 652.8894 200.0 END IONS BEGIN IONS SCANS=8208 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8209 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8211 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8212 PEPMASS=713.1127 CHARGE=-1 COLLISION_ENERGY=0.0 72.9911 370.0 87.0227 180.0 93.0295 170.0 109.0279 3400.0 109.5068 110.0 123.0456 230.0 129.0276 180.0 135.0431 690.0 149.0202 490.0 173.0226 320.0 179.0365 780.0 184.0164 320.0 185.0204 4600.0 186.0274 490.0 197.0433 1300.0 203.0384 330.0 213.012 180.0 239.0676 190.0 247.0352 320.0 248.0428 260.0 249.0523 940.0 277.0472 1900.0 279.03 1900.0 280.0367 1100.0 293.0461 4700.0 295.0602 9200.0 296.0639 1600.0 319.0257 2300.0 321.0403 36000.0 322.0451 1900.0 337.0341 1400.0 339.0521 14000.0 340.0575 1100.0 352.0565 100.0 354.0936 200.0 363.0479 260.0 371.0376 130.0 389.0579 120.0 421.58 110.0 429.0934 120.0 447.1118 240.0 448.1262 120.0 473.0864 3700.0 474.1048 440.0 475.1092 300.0 491.0945 530.0 493.1137 1300.0 494.1165 340.0 517.0818 1700.0 518.0742 390.0 519.0945 17000.0 520.0974 1000.0 520.1584 290.0 537.1063 370.0 598.2862 150.0 663.081 110.0 679.4515 140.0 761.1084 100.0 END IONS BEGIN IONS SCANS=8213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8215 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8216 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8217 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8218 PEPMASS=625.1353 CHARGE=-1 COLLISION_ENERGY=0.0 127.864 100.0 146.6751 130.0 269.0357 160.0 279.0242 110.0 294.0445 180.0 299.1077 110.0 319.0609 240.0 321.0487 890.0 322.0419 180.0 339.0497 830.0 339.7032 110.0 340.0475 290.0 351.0559 130.0 405.074 240.0 428.1595 260.0 469.795 140.0 473.0854 1800.0 473.2817 120.0 474.0914 410.0 475.0852 160.0 569.9506 120.0 867.4552 110.0 END IONS BEGIN IONS SCANS=8219 PEPMASS=711.0949 CHARGE=-1 COLLISION_ENERGY=0.0 72.9944 220.0 91.0521 190.0 109.0295 670.0 109.0698 100.0 109.1122 100.0 135.0431 490.0 149.027 160.0 151.035 370.0 177.0158 340.0 179.036 130.0 185.0226 1300.0 186.0314 470.0 193.0096 190.0 220.9715 120.0 221.0586 130.0 239.0674 100.0 240.1389 110.0 249.0554 330.0 267.0568 490.0 279.028 520.0 293.0454 2700.0 293.1336 320.0 294.0479 420.0 295.0607 1400.0 311.0503 200.0 319.0267 1700.0 320.0317 300.0 321.0401 4300.0 337.0303 510.0 339.0504 1900.0 423.2928 130.0 489.1039 110.0 517.0685 200.0 647.9999 130.0 END IONS BEGIN IONS SCANS=8220 PEPMASS=672.1418 CHARGE=-1 COLLISION_ENERGY=0.0 88.6754 280.0 91.6642 150.0 150.0275 160.0 159.0384 210.0 186.0237 300.0 235.0769 120.0 243.0273 150.0 249.0227 170.0 268.0661 190.0 278.0581 180.0 279.0433 240.0 281.0216 200.0 295.0606 420.0 296.0576 560.0 321.0358 950.0 321.1098 130.0 322.0337 1200.0 323.0517 250.0 339.0416 150.0 340.0472 370.0 474.0794 120.0 577.9713 140.0 END IONS BEGIN IONS SCANS=8221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8232 PEPMASS=740.1295 CHARGE=-1 COLLISION_ENERGY=0.0 159.0416 330.0 167.7292 110.0 179.0371 220.0 185.0215 120.0 186.0208 110.0 220.0308 490.0 291.0629 1200.0 292.0673 1100.0 293.047 340.0 295.0668 150.0 302.019 150.0 313.0683 120.0 317.049 210.0 335.0526 780.0 336.0561 540.0 337.0556 290.0 361.0393 230.0 362.037 130.0 380.0425 500.0 473.0839 200.0 515.0961 310.0 516.0865 340.0 517.0889 200.0 END IONS BEGIN IONS SCANS=8233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8238 PEPMASS=671.1394 CHARGE=-1 COLLISION_ENERGY=0.0 109.0276 160.0 185.0235 260.0 186.0326 280.0 213.0153 130.0 243.0289 360.0 249.0542 180.0 277.0529 340.0 278.0414 170.0 293.0502 500.0 295.0612 520.0 296.0583 400.0 312.0579 220.0 321.0385 2400.0 322.0384 1200.0 323.0484 310.0 339.0525 800.0 340.0501 780.0 366.0596 170.0 394.0741 120.0 429.1088 130.0 END IONS BEGIN IONS SCANS=8239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8242 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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IONS SCANS=8315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8318 PEPMASS=740.1292 CHARGE=-1 COLLISION_ENERGY=0.0 109.0282 130.0 173.0231 160.0 219.0246 110.0 247.097 120.0 277.0495 130.0 291.0579 890.0 291.1434 130.0 292.0625 640.0 293.0637 240.0 295.0613 300.0 321.0307 130.0 323.029 130.0 335.053 430.0 336.0528 340.0 339.0519 160.0 340.0531 140.0 361.0464 160.0 362.0287 140.0 379.0424 370.0 380.0433 260.0 387.0894 160.0 430.2103 100.0 439.0412 110.0 517.0728 140.0 541.0741 130.0 END IONS BEGIN IONS SCANS=8319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8323 PEPMASS=0.0 CHARGE=1 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SCANS=8369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8370 PEPMASS=740.1282 CHARGE=-1 COLLISION_ENERGY=0.0 151.039 240.0 186.0307 160.0 203.0198 170.0 269.0739 150.0 291.0608 750.0 292.0665 1100.0 292.1381 200.0 295.0599 500.0 297.0587 170.0 301.028 100.0 335.0555 970.0 335.1422 110.0 336.0541 620.0 336.1462 110.0 337.061 290.0 361.0287 210.0 379.0481 300.0 380.0594 110.0 418.0199 110.0 432.0565 120.0 434.0759 470.0 435.0601 320.0 453.0934 180.0 472.1309 140.0 515.0959 370.0 516.0944 510.0 559.0715 130.0 END IONS BEGIN IONS SCANS=8371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8375 PEPMASS=715.1296 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 1000.0 109.0288 3600.0 109.0939 130.0 110.0319 160.0 121.0323 170.0 123.0442 190.0 135.043 1700.0 179.0369 630.0 184.0112 240.0 185.0237 7700.0 186.026 950.0 186.0307 600.0 197.0436 1600.0 205.0106 260.0 221.0578 790.0 225.055 730.0 229.0122 340.0 240.0653 200.0 249.0518 1200.0 277.049 4100.0 279.0295 5200.0 280.0364 1900.0 293.0423 5200.0 295.0609 13000.0 296.062 2300.0 321.0395 72000.0 321.2006 1600.0 322.0421 12000.0 323.0442 1300.0 339.0497 24000.0 340.0517 4400.0 367.8219 130.0 397.0493 200.0 409.0571 100.0 448.2371 200.0 473.0824 650.0 474.0935 120.0 475.1031 260.0 491.0997 190.0 493.1144 750.0 495.1098 130.0 517.0691 630.0 519.0926 27000.0 520.0963 6900.0 520.892 280.0 521.0943 820.0 537.0994 770.0 621.4108 150.0 671.1535 290.0 674.1307 150.0 END IONS BEGIN IONS SCANS=8376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8389 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8390 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8391 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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517.0746 120.0 517.0958 270.0 517.1081 120.0 541.0635 110.0 553.8625 120.0 559.0654 720.0 559.0811 140.0 559.1334 160.0 560.0739 210.0 561.1075 110.0 END IONS BEGIN IONS SCANS=8398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8408 PEPMASS=358.0679 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 1900.0 73.0737 110.0 74.0256 100.0 109.0333 120.0 123.0408 220.0 135.0441 1100.0 135.0742 220.0 136.0571 120.0 161.0232 310.0 179.0339 390.0 180.0385 220.0 186.0263 170.0 197.0472 870.0 198.0557 150.0 241.0857 170.0 277.0477 390.0 280.0477 190.0 281.0423 210.0 295.0668 710.0 321.0416 1100.0 321.1386 170.0 322.0448 170.0 322.1633 110.0 522.6784 210.0 END IONS BEGIN IONS SCANS=8409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8420 PEPMASS=740.1304 CHARGE=-1 COLLISION_ENERGY=0.0 219.0264 240.0 291.0687 280.0 292.0668 220.0 295.0541 180.0 321.0426 230.0 335.0483 420.0 336.0502 310.0 339.0435 130.0 362.037 250.0 515.0977 340.0 516.1016 810.0 517.1169 160.0 542.0914 120.0 559.078 610.0 560.0966 1300.0 561.0708 250.0 597.4355 110.0 670.1227 160.0 696.143 120.0 697.1759 110.0 770.0529 180.0 END IONS BEGIN IONS SCANS=8421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8424 PEPMASS=731.1238 CHARGE=-1 COLLISION_ENERGY=0.0 72.9935 110.0 109.0269 610.0 135.0431 200.0 137.023 150.0 158.038 140.0 179.299 130.0 184.0117 220.0 185.0245 630.0 197.0446 180.0 247.0388 110.0 248.0389 190.0 267.0606 330.0 279.0283 300.0 283.0506 270.0 293.0442 590.0 295.0597 1000.0 296.0552 370.0 309.0337 160.0 320.031 270.0 321.0364 1800.0 322.0437 270.0 337.037 160.0 339.0438 900.0 352.0025 120.0 353.0338 330.0 371.028 180.0 482.0183 100.0 END IONS BEGIN IONS SCANS=8425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8428 PEPMASS=711.0906 CHARGE=-1 COLLISION_ENERGY=0.0 105.0356 110.0 109.0287 540.0 133.0274 670.0 145.0163 140.0 149.0194 510.0 150.0206 290.0 158.0316 260.0 159.0369 210.0 179.0288 190.0 185.0217 1100.0 197.0425 420.0 203.0337 190.0 225.0509 210.0 237.0373 180.0 241.0404 160.0 247.0395 290.0 249.0562 140.0 263.0348 360.0 277.0459 930.0 291.027 450.0 293.044 2100.0 294.0409 620.0 295.0588 2200.0 311.0523 500.0 319.0256 1200.0 320.026 440.0 321.0356 3600.0 339.0457 1700.0 340.045 290.0 364.0519 110.0 399.069 180.0 403.0225 190.0 428.0746 150.0 433.1022 110.0 517.0631 100.0 890.3229 120.0 END IONS BEGIN IONS SCANS=8429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8432 PEPMASS=341.196 CHARGE=-1 COLLISION_ENERGY=0.0 65.0401 240.0 66.0449 260.0 83.0527 190.0 94.0012 180.0 97.0338 230.0 99.0439 200.0 111.0795 160.0 113.0615 230.0 138.9193 190.0 141.0914 130.0 148.1 210.0 181.1184 210.0 181.8652 260.0 199.1333 260.0 269.1176 260.0 END IONS BEGIN IONS SCANS=8433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8434 PEPMASS=672.142 CHARGE=-1 COLLISION_ENERGY=0.0 69.691 110.0 72.9936 100.0 109.0288 860.0 110.0353 220.0 135.0393 260.0 157.0302 110.0 173.0186 140.0 185.0265 400.0 186.025 290.0 203.0304 180.0 213.0051 170.0 225.0616 130.0 229.0122 200.0 235.0292 150.0 249.0538 330.0 277.0454 320.0 280.0273 390.0 280.0376 320.0 294.047 620.0 295.058 410.0 296.0587 950.0 321.0387 2700.0 322.0449 2800.0 323.0521 270.0 323.0622 150.0 339.0462 820.0 340.0491 680.0 474.088 630.0 474.1483 110.0 564.0241 120.0 857.7031 140.0 858.9438 120.0 END IONS BEGIN IONS SCANS=8435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8448 PEPMASS=519.0924 CHARGE=-1 COLLISION_ENERGY=0.0 74.0266 230.0 109.0331 440.0 174.021 100.0 185.0259 250.0 186.0237 240.0 187.0372 180.0 250.049 430.0 251.0314 340.0 277.0497 270.0 279.0269 760.0 280.0273 570.0 293.0415 490.0 319.0237 160.0 321.0379 1100.0 322.0374 190.0 455.115 110.0 END IONS BEGIN IONS SCANS=8449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8469 PEPMASS=717.1423 CHARGE=-1 COLLISION_ENERGY=0.0 108.019 190.0 109.0303 680.0 184.0146 130.0 185.021 850.0 186.0286 300.0 197.0487 110.0 224.0343 120.0 249.0571 170.0 277.0473 350.0 279.0281 720.0 280.0334 460.0 293.0413 610.0 294.0478 170.0 295.0627 1600.0 321.0376 7100.0 321.1306 610.0 321.1997 420.0 322.0405 1600.0 339.047 2200.0 340.0545 590.0 END IONS BEGIN IONS SCANS=8470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8474 PEPMASS=669.1212 CHARGE=-1 COLLISION_ENERGY=0.0 96.9638 140.0 145.0278 110.0 185.024 340.0 193.059 140.0 219.0129 130.0 229.005 160.0 248.0521 220.0 277.04 220.0 279.0321 350.0 280.0401 170.0 293.0648 340.0 295.0625 330.0 296.0481 230.0 321.035 6600.0 321.1336 460.0 321.1975 280.0 322.0414 1400.0 339.0455 4300.0 340.0542 250.0 351.0294 120.0 354.0552 110.0 362.0246 130.0 363.0412 120.0 429.0866 230.0 447.1036 230.0 448.101 120.0 449.1082 110.0 473.0817 6200.0 473.2192 350.0 473.2829 250.0 474.087 1700.0 475.0985 380.0 476.0873 290.0 518.0687 180.0 519.0855 4300.0 519.2285 270.0 519.289 160.0 520.0901 770.0 532.5165 190.0 556.2339 130.0 619.5883 230.0 END IONS BEGIN IONS SCANS=8475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8476 PEPMASS=671.1386 CHARGE=-1 COLLISION_ENERGY=0.0 109.0254 300.0 135.0429 120.0 185.0225 410.0 186.0198 150.0 225.05 110.0 242.0132 230.0 248.0487 120.0 249.0504 380.0 277.0434 410.0 278.06 190.0 279.0356 270.0 280.0226 140.0 293.0459 200.0 295.0573 540.0 303.0239 170.0 321.0354 2500.0 321.1441 220.0 322.0376 750.0 339.045 260.0 340.045 310.0 END IONS BEGIN IONS SCANS=8477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8481 PEPMASS=711.0986 CHARGE=-1 COLLISION_ENERGY=0.0 105.0367 140.0 109.0296 1200.0 110.4101 120.0 121.0255 160.0 133.0299 320.0 135.0121 200.0 151.0374 600.0 159.0419 540.0 173.0255 260.0 179.0383 390.0 185.0208 2000.0 195.0335 270.0 221.0473 120.0 222.0587 170.0 235.0446 120.0 236.0398 230.0 237.0519 660.0 249.0523 510.0 263.0453 410.0 267.0636 510.0 277.046 940.0 279.03 1300.0 293.0457 3300.0 295.0615 1900.0 311.0506 840.0 319.0239 1800.0 320.0228 340.0 321.0426 2900.0 337.0318 460.0 339.0496 2600.0 367.0517 100.0 381.0761 110.0 411.0886 140.0 485.0336 180.0 491.0954 190.0 END IONS BEGIN IONS SCANS=8482 PEPMASS=718.1486 CHARGE=-1 COLLISION_ENERGY=0.0 109.0289 470.0 135.0444 250.0 185.0166 330.0 186.0304 380.0 197.0381 180.0 198.0344 220.0 240.0759 130.0 249.0399 120.0 277.0468 250.0 279.0306 270.0 293.0489 260.0 294.0496 360.0 295.0545 500.0 296.0613 720.0 321.04 2400.0 322.0437 2500.0 323.0469 550.0 339.0476 810.0 340.0512 1100.0 341.0494 210.0 END IONS BEGIN IONS SCANS=8483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8484 PEPMASS=505.1844 CHARGE=-1 COLLISION_ENERGY=0.0 71.0132 210.0 119.9434 210.0 149.044 130.0 219.8385 160.0 267.1074 1200.0 268.1165 360.0 268.8771 130.0 269.1204 130.0 270.9703 150.0 299.0796 130.0 300.0862 130.0 304.8136 150.0 305.1742 200.0 318.8783 140.0 325.1183 280.0 327.0442 100.0 353.1063 150.0 414.1317 130.0 422.8606 110.0 432.2877 120.0 473.149 220.0 END IONS BEGIN IONS SCANS=8485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8506 PEPMASS=667.1393 CHARGE=-1 COLLISION_ENERGY=0.0 84.0189 270.0 92.0221 260.0 102.0322 160.0 109.0286 1500.0 123.0463 350.0 129.0219 150.0 141.065 160.0 149.0285 230.0 150.0587 150.0 151.0379 720.0 177.9905 260.0 179.0322 330.0 185.0244 2100.0 186.0287 450.0 201.0157 270.0 201.0232 250.0 222.0259 190.0 229.0201 550.0 233.0538 200.0 249.0557 940.0 251.0334 420.0 277.0503 3600.0 279.0335 1600.0 280.0334 850.0 293.048 3900.0 295.0616 7100.0 319.0622 480.0 321.042 19000.0 322.0453 2100.0 339.0515 11000.0 339.2171 510.0 340.0546 590.0 351.0533 260.0 352.0414 170.0 353.0603 150.0 363.0522 490.0 365.0659 260.0 379.0428 150.0 408.0114 270.0 427.0956 130.0 429.1047 510.0 430.0911 140.0 445.0978 160.0 447.1053 480.0 471.0722 370.0 473.0878 9500.0 473.2861 500.0 473.336 260.0 473.4064 250.0 474.0962 1000.0 507.0958 230.0 517.077 490.0 518.0904 270.0 519.0932 3800.0 520.7616 250.0 523.3484 140.0 573.0265 110.0 607.1202 100.0 635.1364 1700.0 635.2257 100.0 635.2418 140.0 637.1221 120.0 END IONS BEGIN IONS SCANS=8507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8512 PEPMASS=525.2459 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 150.0 91.0512 270.0 122.9492 190.0 171.0976 200.0 177.1587 130.0 209.1565 130.0 222.158 260.0 249.0446 150.0 251.2027 160.0 263.1637 160.0 291.1862 110.0 298.1325 130.0 327.2147 180.0 349.1955 120.0 363.1736 130.0 670.6025 150.0 END IONS BEGIN IONS SCANS=8513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8517 PEPMASS=740.126 CHARGE=-1 COLLISION_ENERGY=0.0 109.0231 140.0 135.035 170.0 161.0464 160.0 185.0251 240.0 219.0175 130.0 240.5068 200.0 272.1003 100.0 283.0354 130.0 291.0597 570.0 292.0562 660.0 293.0658 190.0 295.0594 230.0 317.0415 240.0 318.0248 290.0 335.0485 450.0 336.0499 870.0 336.1028 170.0 337.0486 180.0 361.0192 100.0 379.0421 230.0 380.0348 260.0 515.0878 250.0 516.092 390.0 517.1011 190.0 560.0789 150.0 END IONS BEGIN IONS SCANS=8518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8530 PEPMASS=849.1631 CHARGE=-1 COLLISION_ENERGY=0.0 295.1037 120.0 339.0508 120.0 357.0649 150.0 431.062 260.0 443.0699 150.0 507.0918 310.0 508.0855 190.0 603.0533 150.0 604.0719 160.0 625.1415 120.0 626.1522 170.0 651.1084 410.0 669.1088 240.0 687.1321 2500.0 687.2438 300.0 688.1325 760.0 689.1372 560.0 805.0831 140.0 END IONS BEGIN IONS SCANS=8531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8547 PEPMASS=632.3148 CHARGE=-1 COLLISION_ENERGY=0.0 61.9965 180.0 85.0282 160.0 130.0676 100.0 131.046 160.0 134.8677 110.0 137.1047 120.0 171.0567 100.0 174.9499 150.0 186.1179 110.0 208.774 100.0 209.071 180.0 226.1287 150.0 244.1385 250.0 296.1731 160.0 299.1973 310.0 311.2263 180.0 315.1289 120.0 330.8113 100.0 340.1485 130.0 343.109 150.0 357.1834 280.0 358.1918 140.0 396.2267 150.0 410.0805 120.0 413.2479 660.0 452.2918 120.0 456.2677 110.0 469.3014 110.0 470.3105 110.0 566.3271 380.0 566.3932 100.0 567.3367 420.0 568.3356 130.0 930.4691 270.0 970.7362 130.0 END IONS BEGIN IONS SCANS=8548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8555 PEPMASS=551.1175 CHARGE=-1 COLLISION_ENERGY=0.0 72.9939 380.0 123.0423 310.0 124.0506 120.0 135.0421 270.0 144.0208 120.0 145.0328 170.0 161.023 120.0 184.0087 230.0 185.0215 130.0 197.0372 380.0 205.0428 190.0 210.0537 120.0 217.0487 140.0 233.0414 190.0 234.0544 180.0 244.4143 110.0 276.0382 260.0 277.0427 190.0 281.0349 210.0 282.0817 160.0 293.045 340.0 294.0502 260.0 309.0569 100.0 311.0428 260.0 321.0394 210.0 339.0918 100.0 353.0591 580.0 354.0611 110.0 365.049 100.0 END IONS BEGIN IONS SCANS=8556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8567 PEPMASS=983.202 CHARGE=-1 COLLISION_ENERGY=0.0 135.0441 630.0 197.0492 270.0 265.0481 270.0 267.0641 130.0 268.0641 150.0 293.0476 230.0 308.0318 100.0 311.0559 4800.0 311.2678 110.0 312.0578 1100.0 312.144 110.0 313.0464 170.0 401.0308 260.0 490.0693 150.0 491.0983 7200.0 492.1031 2400.0 492.2471 190.0 492.5162 120.0 493.1054 820.0 541.0455 100.0 940.1809 140.0 END IONS BEGIN IONS SCANS=8568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8583 PEPMASS=491.0967 CHARGE=-1 COLLISION_ENERGY=0.0 72.9943 410.0 123.0397 560.0 134.0314 390.0 134.0392 280.0 135.0455 3800.0 136.0476 1100.0 137.0518 200.0 159.0418 140.0 179.0335 150.0 180.0395 220.0 197.0522 160.0 211.0684 360.0 211.111 120.0 212.0568 170.0 223.0424 130.0 235.0946 110.0 239.0819 120.0 250.0727 330.0 264.0371 150.0 265.0507 1100.0 266.0509 590.0 267.0639 5700.0 268.0664 1500.0 311.0568 9900.0 311.1974 280.0 311.218 330.0 312.0569 2300.0 312.1714 170.0 313.0629 340.0 984.9672 100.0 END IONS BEGIN IONS SCANS=8584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8586 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8587 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8589 PEPMASS=489.0822 CHARGE=-1 COLLISION_ENERGY=0.0 72.9941 10000.0 73.083 160.0 77.0379 360.0 79.0563 270.0 91.0555 500.0 94.036 140.0 107.0507 2100.0 109.0315 1500.0 123.0448 4200.0 134.0361 3100.0 135.0445 100000.0 136.0481 8900.0 151.0387 1900.0 151.0443 390.0 179.0338 10000.0 181.0633 380.0 185.0247 540.0 197.0439 11000.0 209.0581 1300.0 211.0744 890.0 237.0525 1800.0 239.0704 710.0 248.05 850.0 249.0562 1000.0 265.0509 22000.0 266.0562 6200.0 267.0656 100000.0 268.0692 14000.0 281.0464 2300.0 293.0515 3500.0 309.041 8800.0 310.0448 2200.0 311.0564 370000.0 312.0592 59000.0 313.0623 4100.0 323.0562 600.0 379.1177 190.0 384.1066 130.0 394.3898 100.0 399.0925 110.0 403.0797 130.0 445.0875 280.0 445.104 130.0 446.0854 210.0 446.1007 530.0 447.1092 300.0 510.8376 120.0 607.1461 120.0 666.0637 100.0 670.4865 120.0 713.6273 170.0 775.5643 160.0 890.6421 130.0 911.9414 140.0 951.1024 110.0 END IONS BEGIN IONS SCANS=8590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8597 PEPMASS=373.0927 CHARGE=-1 COLLISION_ENERGY=0.0 135.0464 750.0 174.9529 170.0 179.0336 1900.0 179.1142 180.0 180.0357 610.0 185.1013 110.0 187.0898 120.0 223.1387 120.0 235.0039 220.0 247.1204 120.0 264.1597 110.0 308.0917 120.0 END IONS BEGIN IONS SCANS=8598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8602 PEPMASS=665.3894 CHARGE=-1 COLLISION_ENERGY=0.0 85.0285 140.0 89.0238 240.0 95.0093 110.0 135.0441 140.0 137.0259 150.0 219.0195 110.0 281.0457 210.0 303.0227 100.0 311.0605 110.0 371.1415 120.0 390.0988 190.0 503.3343 800.0 505.3402 160.0 END IONS BEGIN IONS SCANS=8603 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8604 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8606 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8609 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8616 PEPMASS=669.4026 CHARGE=-1 COLLISION_ENERGY=0.0 71.0151 250.0 71.0535 150.0 73.0348 110.0 89.0269 200.0 95.0168 190.0 97.0665 120.0 101.0259 410.0 113.0203 320.0 159.0305 150.0 161.046 210.0 186.0245 110.0 229.0091 560.0 242.0254 110.0 243.0205 180.0 266.0471 260.0 293.03 170.0 331.0201 210.0 337.0283 150.0 339.0433 600.0 345.2969 160.0 351.0456 480.0 363.1569 130.0 365.044 160.0 429.1009 180.0 475.0898 240.0 507.3549 680.0 627.1578 120.0 945.001 130.0 979.3253 250.0 END IONS BEGIN IONS SCANS=8617 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8621 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8622 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8631 PEPMASS=983.2044 CHARGE=-1 COLLISION_ENERGY=0.0 134.0328 100.0 135.0429 750.0 179.0333 300.0 197.0474 270.0 265.0588 170.0 266.0559 120.0 267.0952 150.0 311.0546 6300.0 312.0583 890.0 313.0643 330.0 491.0953 9000.0 492.1002 3400.0 492.4928 130.0 492.6977 120.0 493.0893 560.0 494.0965 330.0 954.408 110.0 END IONS BEGIN IONS SCANS=8632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8636 PEPMASS=549.0648 CHARGE=-1 COLLISION_ENERGY=0.0 65.6111 260.0 72.9939 230.0 77.0417 170.0 109.0268 290.0 109.0472 130.0 110.0312 210.0 135.0454 920.0 161.0205 140.0 179.0391 200.0 185.0242 250.0 196.9697 110.0 197.0486 630.0 206.0053 100.0 211.0211 260.0 217.0567 230.0 231.0292 1200.0 232.043 200.0 249.0518 120.0 277.0439 200.0 279.0239 190.0 280.0274 230.0 293.0443 700.0 294.0549 330.0 295.0619 510.0 311.057 1200.0 312.0598 560.0 321.0426 11000.0 322.0468 2300.0 333.0427 840.0 339.0493 1100.0 353.0684 5200.0 353.2374 220.0 354.0742 610.0 354.8471 140.0 371.0769 470.0 372.0802 210.0 429.0909 170.0 435.7965 110.0 442.0309 240.0 445.2826 110.0 473.0962 140.0 491.1006 400.0 492.0532 160.0 513.0836 1900.0 514.0809 940.0 519.0963 960.0 519.1711 220.0 521.0013 150.0 522.9853 140.0 753.0262 130.0 779.9895 120.0 END IONS BEGIN IONS SCANS=8637 PEPMASS=705.3751 CHARGE=-1 COLLISION_ENERGY=0.0 73.0304 120.0 104.0356 140.0 105.0189 140.0 133.0191 120.0 141.0142 120.0 160.0339 120.0 213.0935 130.0 219.1386 130.0 241.0875 190.0 265.0477 110.0 273.1774 110.0 284.0405 100.0 318.1127 110.0 331.0693 160.0 355.127 120.0 389.1008 140.0 507.348 420.0 508.3709 130.0 509.3603 150.0 511.1902 160.0 546.0831 100.0 669.4134 380.0 670.4153 280.0 757.9518 110.0 END IONS BEGIN IONS SCANS=8638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8639 PEPMASS=491.0972 CHARGE=-1 COLLISION_ENERGY=0.0 72.9925 570.0 79.0519 120.0 109.0283 580.0 134.0368 480.0 135.0434 6000.0 135.1458 190.0 136.0492 660.0 137.0475 320.0 161.0258 120.0 179.0343 450.0 185.0216 930.0 185.0686 120.0 193.0583 140.0 197.0629 120.0 203.0288 140.0 222.0578 130.0 265.0508 1500.0 266.0473 290.0 266.0627 260.0 267.064 9800.0 267.2065 190.0 268.0659 1800.0 307.0676 160.0 311.0549 12000.0 312.0596 2700.0 312.2158 150.0 313.0609 460.0 329.233 170.0 END IONS BEGIN IONS SCANS=8640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8642 PEPMASS=513.0803 CHARGE=-1 COLLISION_ENERGY=0.0 79.0489 100.0 125.0195 180.0 135.0433 1700.0 136.0469 140.0 173.0196 220.0 177.0512 140.0 219.0303 150.0 248.0506 130.0 265.0419 290.0 266.0547 580.0 267.0608 800.0 267.1154 120.0 287.0339 250.0 289.0471 350.0 311.0549 690.0 312.0621 270.0 329.0506 130.0 333.0336 560.0 334.0285 140.0 387.2012 140.0 605.0632 130.0 END IONS BEGIN IONS SCANS=8643 PEPMASS=551.1196 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 120.0 91.052 130.0 109.0328 500.0 121.0281 220.0 135.0438 320.0 157.0248 260.0 201.0186 180.0 224.0593 210.0 231.0375 400.0 232.0429 130.0 249.0575 250.0 251.0683 290.0 265.0556 260.0 277.0519 330.0 279.0262 200.0 293.0433 660.0 295.0548 300.0 307.0633 150.0 321.043 1400.0 322.0312 200.0 323.0418 130.0 333.024 170.0 339.0541 270.0 351.044 130.0 353.0801 290.0 END IONS BEGIN IONS SCANS=8644 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8678 PEPMASS=549.0655 CHARGE=-1 COLLISION_ENERGY=0.0 72.9934 670.0 91.221 120.0 109.0298 3500.0 109.1267 170.0 109.2804 110.0 135.0434 1500.0 136.5765 120.0 137.0197 220.0 161.0242 170.0 177.0231 380.0 179.0358 340.0 185.0252 620.0 186.0236 260.0 197.0446 3400.0 201.0131 480.0 217.0462 360.0 229.012 1200.0 231.0283 7200.0 232.0359 1200.0 243.0273 330.0 277.0492 1700.0 278.0547 500.0 293.0453 2700.0 294.0514 1200.0 295.0594 2400.0 296.0626 690.0 311.0584 1500.0 321.0397 48000.0 322.0453 7000.0 327.0865 1000.0 339.0511 6000.0 340.0539 960.0 353.0654 29000.0 354.0677 4100.0 354.153 370.0 369.026 330.0 371.074 1500.0 372.0771 620.0 463.1978 140.0 489.1211 130.0 491.0944 560.0 492.1007 200.0 493.2747 160.0 494.104 110.0 513.0755 1700.0 514.0783 550.0 515.1713 210.0 519.0953 3700.0 519.2953 260.0 520.0918 1400.0 598.8833 130.0 END IONS BEGIN IONS SCANS=8679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8683 PEPMASS=667.3871 CHARGE=-1 COLLISION_ENERGY=0.0 71.0152 1300.0 83.0147 120.0 85.0321 150.0 89.0246 820.0 99.0113 130.0 101.0248 580.0 109.0285 250.0 113.0257 810.0 113.0755 120.0 119.0335 400.0 119.062 140.0 151.179 100.0 161.0443 260.0 205.0127 130.0 231.107 130.0 263.1132 100.0 266.0574 200.0 297.2341 100.0 311.0529 230.0 313.8214 100.0 324.0448 270.0 325.1177 140.0 329.2324 100.0 345.2867 130.0 381.962 180.0 400.0551 120.0 422.6751 110.0 429.1076 110.0 433.149 110.0 487.3262 110.0 507.348 360.0 508.365 110.0 550.9402 140.0 END IONS BEGIN IONS SCANS=8684 PEPMASS=703.3633 CHARGE=-1 COLLISION_ENERGY=0.0 83.0097 130.0 101.0253 180.0 113.0266 260.0 116.0657 140.0 119.0374 190.0 159.0338 100.0 164.0673 110.0 185.1254 220.0 199.0903 140.0 209.6802 110.0 235.1256 200.0 505.3375 390.0 508.3545 240.0 519.1701 110.0 667.3885 500.0 667.4611 100.0 668.3806 230.0 END IONS BEGIN IONS SCANS=8685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8687 PEPMASS=551.1203 CHARGE=-1 COLLISION_ENERGY=0.0 72.9929 140.0 107.045 170.0 109.0265 470.0 110.0343 140.0 135.0408 340.0 143.0462 110.0 145.0322 110.0 158.0482 280.0 161.0157 200.0 178.7348 190.0 179.024 160.0 185.0259 100.0 186.0311 110.0 200.0092 130.0 219.0202 180.0 233.0498 270.0 249.0589 120.0 249.3693 130.0 267.0645 180.0 277.0473 290.0 281.0572 160.0 292.0331 190.0 293.0412 380.0 294.0453 310.0 303.0184 210.0 311.0556 510.0 321.0364 310.0 322.0318 100.0 340.0526 170.0 478.3666 110.0 END IONS BEGIN IONS SCANS=8688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8690 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8691 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8692 PEPMASS=513.0796 CHARGE=-1 COLLISION_ENERGY=0.0 78.9587 230.0 95.0461 210.0 119.0501 130.0 135.0435 2700.0 136.0522 540.0 151.0359 250.0 152.0684 150.0 179.0343 190.0 210.0648 100.0 219.0182 260.0 225.1053 140.0 238.0391 110.0 249.0448 160.0 250.0739 270.0 266.055 310.0 266.0677 200.0 267.0693 1500.0 269.0719 130.0 287.0335 120.0 310.5374 210.0 311.0595 1800.0 312.0595 390.0 333.0404 1500.0 436.0631 100.0 731.0982 150.0 END IONS BEGIN IONS SCANS=8693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8701 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8706 PEPMASS=242.996 CHARGE=-1 COLLISION_ENERGY=0.0 91.0549 390.0 92.0589 140.0 96.9644 130.0 END IONS BEGIN IONS SCANS=8707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8720 PEPMASS=489.0811 CHARGE=-1 COLLISION_ENERGY=0.0 72.9932 390.0 109.0327 220.0 134.0359 220.0 135.0427 5100.0 135.1204 200.0 135.152 210.0 136.0444 290.0 151.0408 180.0 165.0703 170.0 179.0369 710.0 180.0373 170.0 197.0432 220.0 198.0577 160.0 203.0455 170.0 220.0449 260.0 237.0529 380.0 239.0652 180.0 240.0648 160.0 248.0398 130.0 265.0525 720.0 266.048 640.0 267.0634 7700.0 268.0707 960.0 281.0432 860.0 282.0458 370.0 309.0345 230.0 311.0531 9200.0 312.0038 340.0 312.0567 2000.0 312.1406 270.0 313.0483 260.0 END IONS BEGIN IONS SCANS=8721 PEPMASS=491.0964 CHARGE=-1 COLLISION_ENERGY=0.0 72.9938 550.0 106.0372 120.0 109.0252 120.0 135.0436 2400.0 136.0584 110.0 137.0472 130.0 175.0344 220.0 179.035 200.0 212.1363 190.0 223.0646 120.0 238.0545 140.0 265.0488 590.0 266.0496 210.0 267.0619 3700.0 268.0642 530.0 268.0701 380.0 287.0926 230.0 311.0551 3300.0 311.1238 160.0 312.0556 870.0 312.3071 110.0 334.0842 130.0 358.0017 210.0 741.3733 140.0 END IONS BEGIN IONS SCANS=8722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8736 PEPMASS=983.2024 CHARGE=-1 COLLISION_ENERGY=0.0 311.0582 790.0 312.0665 170.0 445.0937 180.0 491.1016 8200.0 492.1003 1900.0 492.2976 210.0 493.111 640.0 493.7206 100.0 839.2534 150.0 929.3617 110.0 END IONS BEGIN IONS SCANS=8737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8740 PEPMASS=487.0654 CHARGE=-1 COLLISION_ENERGY=0.0 71.0126 160.0 72.9932 680.0 73.0185 130.0 79.0553 140.0 89.0242 170.0 95.0109 170.0 105.0332 200.0 123.0422 320.0 133.0287 440.0 134.0354 490.0 135.0437 2700.0 149.0227 320.0 150.0301 120.0 151.0386 1300.0 165.0753 130.0 197.0449 300.0 209.0601 290.0 219.0484 300.0 235.0436 440.0 237.0542 1100.0 247.038 390.0 248.0491 220.0 264.0409 700.0 265.0502 3300.0 266.0558 1200.0 267.0657 5100.0 268.0676 520.0 281.044 2200.0 309.0385 1200.0 310.0494 200.0 311.0539 7500.0 311.2119 510.0 312.0498 260.0 323.0553 380.0 381.0778 160.0 546.29 250.0 END IONS BEGIN IONS SCANS=8741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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109.0296 18000.0 110.033 750.0 121.0268 830.0 123.044 2300.0 135.0443 6000.0 136.0482 750.0 167.0335 680.0 172.0151 1600.0 179.0339 2800.0 185.0234 6100.0 186.0286 1000.0 197.043 1700.0 200.0095 1800.0 201.0165 2100.0 221.0592 2500.0 231.0288 8500.0 248.0467 2800.0 249.0539 9000.0 276.0419 2500.0 277.0496 8700.0 279.032 2100.0 293.0435 17000.0 294.0515 5600.0 295.0574 5300.0 303.0299 1500.0 311.0556 2500.0 321.0393 31000.0 322.0433 4100.0 335.0501 780.0 339.0494 1500.0 353.0695 1500.0 353.2634 130.0 354.0659 410.0 392.0606 120.0 405.2613 150.0 411.2489 130.0 425.9754 120.0 469.1046 250.0 491.0757 120.0 648.5416 110.0 869.4222 100.0 END IONS BEGIN IONS SCANS=8767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8768 PEPMASS=513.0789 CHARGE=-1 COLLISION_ENERGY=0.0 111.0078 120.0 135.0457 1400.0 136.0539 200.0 137.0514 110.0 173.0216 330.0 181.0486 110.0 219.021 190.0 221.0578 110.0 232.0445 110.0 267.0632 740.0 268.0617 310.0 283.0661 110.0 287.035 290.0 288.0321 140.0 292.0798 190.0 310.0567 120.0 311.0573 1100.0 312.0721 250.0 324.6426 110.0 333.0373 790.0 334.0451 240.0 469.996 110.0 END IONS BEGIN IONS SCANS=8769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8776 PEPMASS=667.3872 CHARGE=-1 COLLISION_ENERGY=0.0 151.0357 270.0 272.6935 210.0 310.1956 140.0 337.033 160.0 346.0275 160.0 373.0716 170.0 477.0163 130.0 505.3356 700.0 507.3547 150.0 510.2727 180.0 552.5478 150.0 558.9449 130.0 599.1352 140.0 621.9495 120.0 END IONS BEGIN IONS SCANS=8777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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179.0301 230.0 197.0462 1100.0 201.0112 210.0 214.124 130.0 237.0422 100.0 265.0506 680.0 267.0694 1300.0 285.0411 4000.0 286.04 970.0 293.0423 430.0 293.0483 410.0 309.039 1400.0 310.0511 470.0 311.0562 46000.0 312.0599 7200.0 312.1735 320.0 313.0567 510.0 363.5954 120.0 385.0865 110.0 391.1599 220.0 430.094 130.0 445.0912 440.0 447.104 160.0 449.0883 320.0 562.333 160.0 END IONS BEGIN IONS SCANS=8803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8808 PEPMASS=353.0265 CHARGE=-1 COLLISION_ENERGY=0.0 83.0145 170.0 140.0678 170.0 149.0206 130.0 156.8899 130.0 189.1547 140.0 195.0417 170.0 201.1271 180.0 203.2736 200.0 207.0715 110.0 212.1203 100.0 285.039 5700.0 285.1914 220.0 286.0401 1500.0 286.1322 190.0 287.046 160.0 288.0472 170.0 309.0254 190.0 309.1193 100.0 310.0255 180.0 311.0084 170.0 547.4024 100.0 END IONS BEGIN IONS SCANS=8809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8810 PEPMASS=759.2831 CHARGE=-1 COLLISION_ENERGY=0.0 71.0139 800.0 89.0262 580.0 92.9249 230.0 101.0307 160.0 102.0241 220.0 113.0217 150.0 119.034 140.0 128.0443 110.0 137.0941 160.0 150.0319 120.0 180.0421 140.0 190.0529 140.0 217.091 140.0 339.1135 180.0 345.2935 120.0 353.095 130.0 357.1199 130.0 368.1231 170.0 383.1446 140.0 402.1483 110.0 490.1952 140.0 491.1512 190.0 573.5917 160.0 648.2662 110.0 END IONS BEGIN IONS SCANS=8811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8816 PEPMASS=285.0392 CHARGE=-1 COLLISION_ENERGY=0.0 63.0234 1500.0 65.0039 2100.0 77.0421 390.0 79.0162 360.0 81.0347 260.0 83.0133 820.0 107.0122 1600.0 121.0304 560.0 132.018 670.0 132.0243 520.0 133.0279 17000.0 134.0322 1500.0 151.0023 750.0 151.0085 320.0 174.0396 190.0 175.0372 460.0 183.0381 250.0 195.8723 200.0 369.5251 160.0 464.0124 120.0 600.738 250.0 621.4841 180.0 END IONS BEGIN IONS SCANS=8817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8820 PEPMASS=491.0972 CHARGE=-1 COLLISION_ENERGY=0.0 135.042 940.0 179.0249 150.0 197.0458 300.0 267.0662 450.0 268.0666 110.0 269.0501 110.0 270.0411 170.0 277.1824 130.0 295.059 180.0 308.475 120.0 311.0529 4700.0 312.0542 1100.0 313.057 290.0 313.1064 120.0 313.2274 180.0 END IONS BEGIN IONS SCANS=8821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8824 PEPMASS=507.0923 CHARGE=-1 COLLISION_ENERGY=0.0 76.8074 160.0 90.6515 110.0 97.9942 160.0 109.033 120.0 135.0469 390.0 135.0813 140.0 145.0333 300.0 157.0276 420.0 173.0198 110.0 174.0268 130.0 235.0357 210.0 254.0569 210.0 263.0345 560.0 264.0377 290.0 281.0449 570.0 283.0597 3200.0 284.0656 420.0 308.0363 110.0 309.0386 950.0 311.0664 250.0 312.07 260.0 327.0502 930.0 328.0596 140.0 380.0664 140.0 556.7883 110.0 568.0931 230.0 END IONS BEGIN IONS SCANS=8825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8827 PEPMASS=283.0236 CHARGE=-1 COLLISION_ENERGY=0.0 63.0254 390.0 65.0016 590.0 77.0418 260.0 81.032 100.0 83.0141 710.0 84.994 200.0 105.0332 530.0 107.0138 4300.0 121.0282 930.0 133.0291 15000.0 134.0341 380.0 149.0227 4500.0 151.0023 16000.0 152.0019 1100.0 175.0391 7700.0 197.0588 880.0 198.0353 1500.0 199.0378 5200.0 201.019 2000.0 213.0527 2200.0 215.0327 990.0 217.0491 4200.0 241.0504 3100.0 243.0299 2200.0 255.027 3500.0 257.0438 1200.0 559.6062 110.0 570.6127 120.0 709.4184 100.0 END IONS BEGIN IONS SCANS=8828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8844 PEPMASS=955.2886 CHARGE=-1 COLLISION_ENERGY=0.0 132.0196 170.0 145.0283 530.0 149.0556 240.0 163.0377 590.0 174.9954 110.0 175.0387 1400.0 177.0424 180.0 193.0445 160.0 205.0433 220.0 207.0801 200.0 249.1106 110.0 261.0736 150.0 279.1764 130.0 281.6644 110.0 285.035 160.0 371.1786 140.0 451.1214 150.0 487.1387 240.0 534.0908 130.0 554.2328 140.0 615.1699 200.0 633.1835 1700.0 633.3431 130.0 633.731 110.0 634.1949 410.0 635.1792 180.0 663.1794 360.0 685.567 230.0 764.7445 180.0 765.19 150.0 779.2445 120.0 809.2354 1200.0 809.3388 160.0 810.2338 840.0 811.2237 120.0 END IONS BEGIN IONS SCANS=8845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8860 PEPMASS=505.1109 CHARGE=-1 COLLISION_ENERGY=0.0 77.0361 120.0 83.0498 140.0 109.0293 390.0 151.0383 490.0 152.9922 160.0 196.05 210.0 201.0176 180.0 231.0184 160.0 237.0536 490.0 247.0382 220.0 248.0349 450.0 249.0548 300.0 265.0509 380.0 277.0457 320.0 278.0516 210.0 279.0275 440.0 281.0437 370.0 293.049 630.0 303.0166 240.0 304.1519 120.0 320.0594 290.0 321.0431 190.0 377.1635 110.0 END IONS BEGIN IONS SCANS=8861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8864 PEPMASS=613.2302 CHARGE=-1 COLLISION_ENERGY=0.0 72.9934 100.0 85.0338 130.0 105.0339 110.0 123.5839 140.0 137.0251 120.0 149.0214 350.0 149.0681 160.0 150.0349 210.0 165.0543 1100.0 166.0408 210.0 180.0396 200.0 181.049 310.0 197.0478 240.0 200.0498 160.0 205.0444 160.0 207.0704 100.0 212.273 160.0 265.0475 140.0 286.0263 100.0 317.1431 130.0 372.1256 260.0 387.1168 110.0 388.113 160.0 402.1376 110.0 417.2536 110.0 505.1423 150.0 535.172 180.0 END IONS BEGIN IONS SCANS=8865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8876 PEPMASS=573.1005 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 120.0 95.0124 150.0 109.0337 350.0 135.0434 220.0 174.0288 140.0 185.0214 360.0 186.0241 190.0 225.0592 180.0 234.4699 110.0 237.0464 200.0 239.0711 210.0 267.0562 270.0 277.0484 430.0 286.0439 200.0 289.0449 200.0 295.0554 240.0 299.2385 240.0 301.0111 320.0 317.0382 1500.0 318.1407 130.0 330.8091 150.0 347.1456 130.0 348.9884 130.0 361.0223 180.0 376.073 100.0 414.0315 190.0 436.1053 150.0 END IONS BEGIN IONS SCANS=8877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8888 PEPMASS=609.0759 CHARGE=-1 COLLISION_ENERGY=0.0 100.3307 110.0 123.0388 100.0 173.0265 220.0 177.0785 130.0 247.0274 160.0 295.0631 200.0 317.0397 360.0 321.0392 110.0 337.0246 120.0 353.0554 350.0 361.03 350.0 362.0262 270.0 362.1123 130.0 393.0505 1500.0 394.066 140.0 429.0334 160.0 480.32 100.0 515.2111 110.0 524.1015 120.0 541.0644 230.0 563.0871 140.0 571.9825 150.0 573.0878 1200.0 573.2368 120.0 574.0907 520.0 575.0824 290.0 721.4939 170.0 844.9797 160.0 END IONS BEGIN IONS SCANS=8889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8898 PEPMASS=551.1173 CHARGE=-1 COLLISION_ENERGY=0.0 72.9929 210.0 109.0288 1100.0 109.0566 230.0 110.0306 130.0 123.0473 230.0 135.0417 670.0 135.4767 120.0 172.0099 110.0 185.0263 170.0 219.0348 130.0 221.0541 220.0 222.0609 100.0 231.0278 560.0 233.0562 290.0 249.059 720.0 265.0457 190.0 276.0424 270.0 277.052 320.0 279.0243 160.0 293.0429 1200.0 294.0517 430.0 321.0381 2100.0 321.2009 110.0 322.0407 410.0 323.0479 410.0 339.0496 120.0 END IONS BEGIN IONS SCANS=8899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8906 PEPMASS=505.1097 CHARGE=-1 COLLISION_ENERGY=0.0 109.0281 380.0 121.0289 100.0 124.0097 160.0 129.033 110.0 135.0483 180.0 145.0338 110.0 151.0363 290.0 159.0441 120.0 172.0133 300.0 174.0296 330.0 185.0159 180.0 199.0381 140.0 209.151 160.0 214.0292 120.0 219.0458 300.0 231.0333 360.0 249.0542 350.0 263.0405 510.0 265.0454 620.0 268.0343 220.0 281.0469 880.0 283.0589 2400.0 293.0465 200.0 309.0454 450.0 311.0624 160.0 321.032 540.0 322.0534 180.0 325.0429 190.0 327.0465 790.0 END IONS BEGIN IONS SCANS=8907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8913 PEPMASS=489.2667 CHARGE=-1 COLLISION_ENERGY=0.0 73.0325 280.0 74.0274 160.0 85.0262 290.0 89.023 120.0 99.0039 110.0 101.0258 230.0 102.0269 140.0 108.047 180.0 123.0066 160.0 123.046 180.0 135.0416 540.0 161.019 110.0 162.9538 260.0 165.0506 110.0 179.0401 100.0 183.1376 150.0 212.1317 140.0 219.0354 110.0 239.1591 740.0 239.2231 110.0 241.1767 210.0 267.0647 310.0 267.1104 110.0 309.0168 130.0 311.0533 460.0 312.0676 140.0 327.2128 250.0 END IONS BEGIN IONS SCANS=8914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8923 PEPMASS=637.377 CHARGE=-1 COLLISION_ENERGY=0.0 71.0158 790.0 73.0297 120.0 85.0325 150.0 87.0126 180.0 89.0242 640.0 94.0378 100.0 101.0243 380.0 111.0091 130.0 113.0236 360.0 119.0307 230.0 124.0127 190.0 149.0367 360.0 159.0282 330.0 160.0408 120.0 161.0478 180.0 231.031 210.0 240.9342 260.0 281.0346 270.0 301.0124 150.0 317.0341 150.0 361.0396 110.0 409.1062 130.0 469.0796 140.0 501.1451 180.0 505.3362 130.0 506.3312 210.0 507.3459 380.0 508.3468 130.0 END IONS BEGIN IONS SCANS=8924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8927 PEPMASS=850.1667 CHARGE=-1 COLLISION_ENERGY=0.0 109.0288 210.0 150.0241 180.0 163.0361 110.0 173.0437 110.0 247.0134 130.0 248.0156 350.0 283.0576 130.0 295.0599 910.0 295.4717 120.0 296.0595 710.0 296.148 120.0 297.0706 280.0 311.0591 150.0 326.0794 120.0 335.121 120.0 339.0493 530.0 339.1002 140.0 340.0445 380.0 357.0584 1300.0 358.0625 840.0 359.06 320.0 360.0583 110.0 375.0609 110.0 626.1225 270.0 652.1076 310.0 653.1115 170.0 END IONS BEGIN IONS SCANS=8928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8930 PEPMASS=257.1376 CHARGE=-1 COLLISION_ENERGY=0.0 125.0912 170.0 126.0992 470.0 149.9066 160.0 151.9181 130.0 153.091 120.0 163.1106 130.0 181.1272 530.0 207.0942 100.0 END IONS BEGIN IONS SCANS=8931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8932 PEPMASS=213.1115 CHARGE=-1 COLLISION_ENERGY=0.0 151.1074 170.0 169.1184 150.0 176.9773 150.0 END IONS BEGIN IONS SCANS=8933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8934 PEPMASS=675.3625 CHARGE=-1 COLLISION_ENERGY=0.0 113.0229 150.0 200.1128 130.0 229.0063 120.0 373.0857 150.0 382.9447 130.0 400.9729 120.0 455.02 230.0 477.5784 100.0 497.2471 190.0 567.044 200.0 637.3873 190.0 640.3819 160.0 803.2844 100.0 END IONS BEGIN IONS SCANS=8935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8942 PEPMASS=543.3264 CHARGE=-1 COLLISION_ENERGY=0.0 89.0223 180.0 114.9399 140.0 152.0116 140.0 255.048 270.0 339.1338 160.0 466.216 110.0 END IONS BEGIN IONS SCANS=8943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8945 PEPMASS=849.1638 CHARGE=-1 COLLISION_ENERGY=0.0 72.9886 230.0 137.023 140.0 145.026 100.0 161.0238 120.0 186.0481 100.0 190.0168 150.0 203.028 100.0 237.0517 110.0 265.0511 300.0 267.0644 250.0 283.0545 520.0 284.0547 150.0 295.0576 1600.0 296.0599 540.0 311.0517 760.0 311.1027 130.0 312.0526 200.0 313.0586 180.0 327.2162 170.0 339.0498 500.0 357.0561 1300.0 358.0654 200.0 469.9958 210.0 508.0879 130.0 534.093 100.0 651.1081 580.0 652.1105 510.0 652.2098 110.0 653.8974 130.0 791.0456 110.0 981.1438 130.0 END IONS BEGIN IONS SCANS=8946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8953 PEPMASS=871.1461 CHARGE=-1 COLLISION_ENERGY=0.0 97.3836 100.0 143.0334 150.0 295.0632 200.0 333.0376 140.0 336.0283 180.0 337.0437 160.0 339.0452 190.0 357.0566 140.0 361.0336 160.0 362.0352 130.0 369.14 140.0 379.045 270.0 383.9477 110.0 541.0575 160.0 543.1716 100.0 559.0622 110.0 647.1266 130.0 648.1175 180.0 668.3835 160.0 673.0877 490.0 674.0961 270.0 675.2087 110.0 690.1559 110.0 691.1176 160.0 772.2639 110.0 837.0757 110.0 END IONS BEGIN IONS SCANS=8954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8956 PEPMASS=473.1077 CHARGE=-1 COLLISION_ENERGY=0.0 83.0094 150.0 96.9553 110.0 117.0318 260.0 135.0478 130.0 136.0154 110.0 167.14 120.0 173.1317 100.0 239.0465 130.0 268.0364 2700.0 268.1635 150.0 268.7112 140.0 269.0446 1800.0 270.0574 320.0 295.0664 170.0 313.0271 200.0 441.0303 150.0 END IONS BEGIN IONS SCANS=8957 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8958 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8959 PEPMASS=509.0853 CHARGE=-1 COLLISION_ENERGY=0.0 61.9876 180.0 110.0242 120.0 135.0359 150.0 240.0515 190.0 268.0341 3300.0 268.1761 170.0 269.0423 3000.0 269.1793 160.0 270.0456 790.0 285.0968 220.0 305.1681 120.0 473.1043 370.0 END IONS BEGIN IONS SCANS=8960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8964 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8965 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8966 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8970 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8971 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8974 PEPMASS=850.1675 CHARGE=-1 COLLISION_ENERGY=0.0 73.9953 130.0 109.0309 210.0 121.0283 150.0 149.0224 110.0 176.0455 100.0 185.0268 150.0 209.061 210.0 210.0714 100.0 227.0603 120.0 255.0659 160.0 267.061 230.0 270.0937 220.0 277.0497 130.0 295.058 1700.0 296.062 1100.0 311.0515 910.0 312.0605 330.0 332.0686 130.0 339.0507 450.0 340.0519 510.0 357.0559 1400.0 357.2332 120.0 358.0649 920.0 359.0609 460.0 594.6243 250.0 651.1109 220.0 652.1063 290.0 653.0922 120.0 804.0942 100.0 END IONS BEGIN IONS SCANS=8975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8978 PEPMASS=639.2992 CHARGE=-1 COLLISION_ENERGY=0.0 73.028 150.0 89.0243 210.0 94.9238 240.0 113.0228 250.0 114.0277 170.0 159.0335 160.0 161.0398 130.0 303.1224 260.0 345.153 170.0 412.1941 160.0 415.045 120.0 477.2319 350.0 478.241 320.0 555.6132 120.0 566.2873 130.0 593.3272 110.0 606.2596 150.0 END IONS BEGIN IONS SCANS=8979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8988 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8994 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8995 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8999 PEPMASS=371.0769 CHARGE=-1 COLLISION_ENERGY=0.0 77.044 240.0 79.0565 2300.0 80.0605 140.0 89.0399 300.0 91.0557 1400.0 91.0887 190.0 107.0517 2800.0 133.0293 4500.0 134.0363 14000.0 135.0447 110000.0 135.1514 5900.0 136.0477 8100.0 161.0226 3300.0 162.0308 310.0 165.0524 530.0 179.0342 6500.0 179.1081 310.0 180.0356 310.0 211.0681 110.0 316.7376 120.0 494.2367 270.0 763.6261 110.0 897.7645 120.0 END IONS BEGIN IONS SCANS=9000 PEPMASS=409.0681 CHARGE=-1 COLLISION_ENERGY=0.0 72.9973 120.0 79.0503 270.0 79.0547 480.0 84.0436 160.0 91.0575 380.0 133.0279 1200.0 134.0349 1800.0 134.039 880.0 135.0438 37000.0 135.1515 900.0 136.0467 4500.0 161.0135 420.0 161.0194 280.0 162.0243 290.0 179.0328 11000.0 180.034 910.0 180.0375 360.0 205.1261 100.0 253.0451 150.0 256.0429 170.0 281.0353 110.0 290.055 130.0 291.9477 180.0 309.1075 210.0 554.6305 290.0 END IONS BEGIN IONS SCANS=9001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9003 PEPMASS=373.0917 CHARGE=-1 COLLISION_ENERGY=0.0 61.8765 130.0 77.0354 260.0 79.0568 1100.0 80.0241 170.0 89.0376 470.0 94.037 200.0 107.0495 1100.0 133.0269 2300.0 134.0363 6000.0 135.0436 37000.0 135.1508 1000.0 136.0466 2400.0 161.0236 700.0 162.0504 200.0 165.0528 240.0 179.0309 1900.0 179.0349 170.0 181.0329 170.0 204.1109 200.0 204.573 140.0 259.2392 110.0 272.0324 190.0 329.2389 180.0 628.8408 110.0 648.0426 180.0 738.9549 120.0 END IONS BEGIN IONS SCANS=9004 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140.0 165.0863 120.0 167.0332 130.0 225.9391 160.0 312.2587 150.0 317.215 130.0 345.2989 310.0 346.298 160.0 361.259 130.0 377.9623 110.0 417.1262 140.0 431.2639 140.0 507.3492 760.0 509.3564 260.0 549.0605 170.0 925.848 110.0 END IONS BEGIN IONS SCANS=9056 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9057 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9059 PEPMASS=667.3884 CHARGE=-1 COLLISION_ENERGY=0.0 60.0212 100.0 71.0146 590.0 71.047 200.0 73.0283 190.0 86.0327 140.0 89.0241 300.0 101.0245 320.0 102.0283 140.0 111.0113 110.0 113.0227 130.0 119.0263 260.0 165.1253 120.0 179.0503 220.0 224.05 150.0 240.04 100.0 248.0457 150.0 269.1189 110.0 292.162 230.0 293.0415 110.0 311.0512 350.0 329.057 140.0 337.0384 190.0 339.0466 160.0 347.1722 170.0 351.1749 100.0 420.9646 100.0 433.0227 140.0 471.0737 120.0 504.3066 150.0 505.3393 350.0 506.3497 190.0 506.4047 110.0 575.3045 110.0 END IONS BEGIN IONS SCANS=9060 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9061 PEPMASS=703.3654 CHARGE=-1 COLLISION_ENERGY=0.0 61.6092 110.0 71.0091 190.0 89.0269 310.0 101.0295 350.0 120.0315 230.0 143.0371 110.0 145.0266 200.0 151.0326 170.0 179.0341 260.0 207.0998 190.0 305.1893 150.0 311.0551 200.0 315.1153 120.0 361.0331 240.0 487.3191 130.0 504.3308 240.0 505.3569 140.0 506.3326 250.0 507.3443 280.0 522.2265 110.0 576.4663 110.0 667.3821 360.0 667.4596 110.0 668.4192 360.0 669.4044 320.0 669.479 190.0 670.4193 140.0 END IONS BEGIN IONS SCANS=9062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9067 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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219.0735 210.0 233.1211 120.0 326.0538 100.0 340.1015 170.0 341.2149 170.0 371.2791 110.0 375.2049 140.0 397.0937 110.0 399.2426 160.0 401.1448 150.0 416.1233 100.0 426.229 180.0 427.0528 120.0 454.9377 120.0 501.3054 170.0 511.1686 160.0 531.2754 800.0 532.2798 690.0 533.2887 450.0 534.2983 290.0 704.6882 110.0 836.4455 110.0 END IONS BEGIN IONS SCANS=9088 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9089 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9095 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9096 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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300.2584 260.0 301.0591 530.0 336.9812 200.0 339.0964 180.0 402.0825 110.0 425.0901 130.0 429.0521 140.0 443.0917 390.0 461.1023 240.0 463.1139 170.0 471.0374 100.0 487.3431 110.0 488.1627 210.0 505.3318 130.0 506.3326 110.0 549.0954 110.0 591.8207 110.0 605.162 140.0 607.1689 130.0 623.9912 110.0 776.0579 120.0 END IONS BEGIN IONS SCANS=9116 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9117 PEPMASS=733.1596 CHARGE=-1 COLLISION_ENERGY=0.0 72.9878 160.0 73.0292 180.0 101.0546 120.0 135.0441 160.0 138.102 120.0 139.0369 110.0 149.0302 120.0 159.0578 120.0 162.0296 280.0 197.0367 100.0 200.367 210.0 265.0919 220.0 283.6542 120.0 284.0364 230.0 299.0498 3000.0 299.2056 130.0 300.0578 360.0 304.9069 260.0 312.0338 160.0 319.0052 110.0 321.029 230.0 329.1367 150.0 350.0554 270.0 381.0495 150.0 435.0797 330.0 465.1029 140.0 480.2241 170.0 483.0742 190.0 484.0863 250.0 493.0958 180.0 497.096 150.0 516.0979 250.0 557.1542 230.0 623.1397 130.0 645.159 120.0 646.1346 110.0 647.1455 140.0 648.1318 240.0 665.1514 260.0 761.9132 190.0 END IONS BEGIN IONS SCANS=9118 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9119 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9121 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9122 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9123 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9124 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9125 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9126 PEPMASS=703.3619 CHARGE=-1 COLLISION_ENERGY=0.0 82.5843 110.0 135.0463 120.0 185.1487 210.0 201.0179 140.0 307.1841 160.0 308.1867 120.0 317.0292 110.0 327.0447 140.0 371.0997 220.0 397.0371 110.0 397.1202 140.0 477.241 120.0 495.0106 260.0 505.3112 230.0 510.2356 220.0 536.1858 130.0 545.0925 100.0 573.3061 160.0 629.2222 120.0 637.3275 170.0 639.2969 270.0 667.3848 4800.0 667.6019 130.0 668.2222 190.0 668.3953 1700.0 669.3851 120.0 669.4042 300.0 END IONS BEGIN IONS SCANS=9127 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9128 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9131 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9134 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9135 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9137 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9138 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9139 PEPMASS=639.2989 CHARGE=-1 COLLISION_ENERGY=0.0 71.0148 840.0 73.0319 200.0 83.0134 180.0 85.0354 170.0 89.0217 430.0 99.0112 120.0 101.0246 480.0 113.0234 410.0 159.0261 190.0 161.0374 310.0 170.0838 180.0 293.0822 100.0 304.9213 110.0 315.1925 620.0 316.1986 110.0 327.1553 130.0 361.262 110.0 477.2513 290.0 479.2609 200.0 489.2493 130.0 END IONS BEGIN IONS SCANS=9140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9141 PEPMASS=675.2751 CHARGE=-1 COLLISION_ENERGY=0.0 71.0154 300.0 73.0292 130.0 89.027 210.0 101.0232 180.0 113.0249 490.0 125.0196 180.0 161.0434 450.0 190.0852 110.0 315.1926 190.0 316.1877 150.0 317.2073 190.0 321.0218 110.0 461.1912 130.0 477.2457 330.0 554.104 170.0 640.3182 110.0 END IONS BEGIN IONS SCANS=9142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9145 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9146 PEPMASS=205.0494 CHARGE=-1 COLLISION_ENERGY=0.0 105.0346 110.0 115.0082 120.0 132.019 360.0 133.0287 640.0 161.0246 270.0 END IONS BEGIN IONS SCANS=9147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9149 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9151 PEPMASS=517.0786 CHARGE=-1 COLLISION_ENERGY=0.0 141.1069 110.0 197.0373 160.0 221.0361 150.0 260.9843 100.0 291.0308 230.0 293.0444 390.0 319.0291 460.0 337.0294 2100.0 337.1999 120.0 338.0359 410.0 339.05 220.0 340.0494 120.0 353.0517 190.0 428.1692 180.0 430.5539 130.0 472.9992 180.0 678.2076 110.0 END IONS BEGIN IONS SCANS=9152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9175 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9177 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9178 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9181 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9184 PEPMASS=651.153 CHARGE=-1 COLLISION_ENERGY=0.0 61.9902 160.0 68.5041 240.0 71.0158 270.0 76.0117 150.0 99.0467 130.0 101.0217 160.0 101.0285 210.0 131.0308 180.0 135.0434 380.0 144.0649 150.0 145.0257 160.0 171.0971 150.0 175.0281 160.0 183.085 130.0 186.0329 160.0 199.0922 200.0 199.1272 280.0 203.0545 130.0 233.1126 180.0 243.8747 110.0 249.0542 110.0 266.0543 480.0 269.0433 280.0 284.0313 160.0 295.055 170.0 295.0615 160.0 299.0194 210.0 325.0708 16000.0 325.2033 500.0 325.2306 360.0 326.0668 600.0 326.0736 2500.0 327.0771 530.0 353.0266 170.0 366.0324 150.0 372.0438 120.0 377.0515 160.0 381.0127 150.0 392.8457 150.0 414.2212 230.0 431.1352 150.0 433.1728 110.0 456.1086 170.0 473.0788 300.0 474.0952 100.0 517.0786 110.0 544.5774 140.0 560.9593 120.0 565.0328 220.0 579.0891 130.0 590.4067 290.0 606.2224 130.0 617.6941 120.0 752.0135 110.0 872.3942 110.0 END IONS BEGIN IONS SCANS=9185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9187 PEPMASS=361.0477 CHARGE=-1 COLLISION_ENERGY=0.0 79.0147 200.0 106.0654 180.0 122.832 120.0 127.11 160.0 132.8779 120.0 145.0204 180.0 149.0196 120.0 184.1305 100.0 219.0438 220.0 237.0455 160.0 237.0524 230.0 247.0389 260.0 249.0441 170.0 249.0534 280.0 265.0459 1800.0 265.0506 750.0 266.057 31000.0 266.2053 430.0 267.0598 5300.0 268.0594 380.0 325.0714 6000.0 326.0724 1500.0 326.0818 190.0 326.1294 130.0 326.2444 120.0 327.0615 160.0 439.0387 200.0 446.6697 110.0 858.9467 100.0 END IONS BEGIN IONS SCANS=9188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9189 PEPMASS=325.0709 CHARGE=-1 COLLISION_ENERGY=0.0 69.04 100.0 72.9886 120.0 84.0154 220.0 89.4283 190.0 96.9588 160.0 119.0815 170.0 135.0457 120.0 150.914 160.0 155.0993 130.0 209.0545 380.0 221.053 370.0 237.0432 430.0 237.0534 340.0 248.0438 920.0 249.0508 460.0 264.0354 560.0 265.0447 2300.0 265.0507 1400.0 266.0562 14000.0 267.0576 2400.0 268.0632 380.0 345.4833 160.0 564.1485 120.0 952.514 120.0 988.6097 100.0 END IONS BEGIN IONS SCANS=9190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9191 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9192 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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167.1024 110.0 167.141 150.0 171.1025 220.0 181.1241 110.0 183.1357 210.0 211.1352 770.0 211.1897 120.0 229.1478 720.0 230.1446 240.0 250.1045 100.0 285.1836 110.0 311.0532 170.0 311.2025 120.0 313.229 170.0 329.2357 130.0 330.2286 110.0 331.2532 200.0 END IONS BEGIN IONS SCANS=9199 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9201 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9202 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9203 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9204 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9205 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9206 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9207 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9208 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9209 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9211 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9212 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9215 PEPMASS=291.1227 CHARGE=-1 COLLISION_ENERGY=0.0 72.995 200.0 84.0432 240.0 89.0263 180.0 120.933 110.0 129.0306 140.0 146.0359 390.0 148.055 120.0 164.9171 170.0 169.0897 190.0 202.1275 130.0 206.0796 120.0 214.978 110.0 245.1223 130.0 528.9462 100.0 END IONS BEGIN IONS SCANS=9216 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9217 PEPMASS=935.2039 CHARGE=-1 COLLISION_ENERGY=0.0 135.0467 150.0 233.0896 150.0 279.0653 110.0 311.0588 230.0 323.0503 750.0 458.1703 100.0 491.098 1600.0 491.231 100.0 492.032 160.0 492.0938 350.0 503.0887 2000.0 504.1097 490.0 514.059 150.0 551.3718 100.0 623.5313 110.0 755.2424 180.0 757.243 140.0 760.2251 130.0 858.0048 130.0 866.641 110.0 876.9593 110.0 898.4903 100.0 899.1605 170.0 899.3013 190.0 END IONS BEGIN IONS SCANS=9218 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9219 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9220 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9227 PEPMASS=541.3115 CHARGE=-1 COLLISION_ENERGY=0.0 64.82 150.0 294.1029 110.0 297.14 120.0 389.1533 120.0 437.1606 110.0 END IONS BEGIN IONS SCANS=9228 PEPMASS=437.2285 CHARGE=-1 COLLISION_ENERGY=0.0 85.0691 110.0 97.0678 130.0 127.0409 110.0 166.5183 130.0 202.1023 180.0 243.1188 150.0 247.0145 110.0 247.1351 170.0 275.0616 190.0 289.068 140.0 289.1707 140.0 292.9856 110.0 301.553 100.0 316.0846 110.0 327.2075 190.0 380.119 130.0 END IONS BEGIN IONS SCANS=9229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9236 PEPMASS=325.2005 CHARGE=-1 COLLISION_ENERGY=0.0 85.0332 310.0 86.0366 210.0 87.0517 230.0 95.0439 110.0 97.0675 190.0 117.033 340.0 121.1037 240.0 129.0862 140.0 135.037 290.0 145.0235 320.0 149.1277 150.0 163.0349 170.0 171.0987 380.0 183.0965 110.0 221.1526 310.0 266.0559 180.0 267.0584 320.0 END IONS BEGIN IONS SCANS=9237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9242 PEPMASS=287.1484 CHARGE=-1 COLLISION_ENERGY=0.0 70.9979 160.0 83.052 180.0 113.3354 130.0 127.0727 130.0 186.0284 160.0 212.0896 150.0 677.4967 100.0 991.6346 140.0 END IONS BEGIN IONS SCANS=9243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9249 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9251 PEPMASS=489.268 CHARGE=-1 COLLISION_ENERGY=0.0 71.015 140.0 73.0313 140.0 87.0451 190.0 95.0586 130.0 99.043 110.0 113.0271 300.0 119.0375 150.0 124.0197 170.0 135.0422 110.0 139.1082 120.0 157.1048 160.0 162.0366 130.0 171.1008 370.0 195.1366 230.0 195.1826 110.0 203.1059 110.0 209.1386 200.0 211.1319 240.0 223.1594 240.0 229.1425 380.0 239.1581 180.0 293.1989 150.0 307.09 130.0 309.2034 230.0 327.0884 140.0 327.2051 170.0 328.2208 160.0 330.2334 280.0 387.105 130.0 END IONS BEGIN IONS SCANS=9252 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9256 PEPMASS=385.092 CHARGE=-1 COLLISION_ENERGY=0.0 61.9856 190.0 74.0284 260.0 101.0698 130.0 109.0263 500.0 119.0488 150.0 157.0277 110.0 161.0294 110.0 165.9112 120.0 173.0184 280.0 193.0423 130.0 197.051 200.0 204.152 100.0 213.0526 150.0 234.0486 120.0 237.058 290.0 238.058 120.0 249.0488 180.0 251.0607 220.0 252.0428 260.0 267.0621 370.0 279.0265 250.0 293.0431 800.0 294.0547 260.0 END IONS BEGIN IONS SCANS=9257 PEPMASS=421.0687 CHARGE=-1 COLLISION_ENERGY=0.0 112.0023 120.0 128.8701 160.0 137.0264 150.0 145.6558 150.0 161.0065 140.0 168.0854 210.0 177.0463 210.0 183.001 200.0 185.0218 220.0 190.1207 150.0 207.035 120.0 221.0537 220.0 228.0363 190.0 231.0501 130.0 235.0713 160.0 249.0511 410.0 265.046 270.0 266.0519 250.0 276.042 360.0 277.0476 490.0 293.0418 1900.0 294.045 360.0 308.0607 140.0 310.0635 120.0 353.0656 290.0 END 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517.0747 110.0 529.249 140.0 535.1203 110.0 663.1854 2100.0 664.1934 960.0 673.2803 250.0 END IONS BEGIN IONS SCANS=9269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9275 PEPMASS=543.3255 CHARGE=-1 COLLISION_ENERGY=0.0 65.7734 120.0 116.6108 130.0 125.0567 120.0 150.0514 100.0 159.0559 190.0 201.0629 120.0 231.104 130.0 237.1535 120.0 271.071 110.0 294.0545 110.0 367.2416 120.0 961.0785 120.0 END IONS BEGIN IONS SCANS=9276 PEPMASS=701.1493 CHARGE=-1 COLLISION_ENERGY=0.0 109.027 250.0 123.0797 150.0 135.0417 550.0 145.0279 430.0 147.0141 120.0 185.0204 330.0 186.0314 110.0 194.054 110.0 197.0295 100.0 198.2556 150.0 210.1152 120.0 243.028 210.0 251.0301 180.0 277.0442 470.0 291.1184 120.0 294.0545 110.0 295.0557 290.0 296.0767 180.0 305.0595 230.0 321.0449 1500.0 322.0409 460.0 323.0429 290.0 339.0437 1200.0 340.0433 430.0 401.0635 140.0 425.112 240.0 521.0362 110.0 547.0748 140.0 END IONS BEGIN IONS SCANS=9277 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9278 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9279 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9281 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9282 PEPMASS=673.3516 CHARGE=-1 COLLISION_ENERGY=0.0 71.0122 190.0 160.8455 220.0 193.0466 220.0 356.1709 130.0 374.0614 120.0 419.4839 120.0 451.198 100.0 454.975 100.0 480.2731 100.0 489.1752 110.0 494.2232 170.0 505.329 340.0 515.1106 130.0 519.5964 140.0 561.0622 110.0 566.2517 190.0 588.3332 160.0 605.2712 120.0 637.385 180.0 639.3834 110.0 641.3873 120.0 753.5794 140.0 786.9179 100.0 908.218 160.0 END IONS BEGIN IONS SCANS=9283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9287 PEPMASS=577.2202 CHARGE=-1 COLLISION_ENERGY=0.0 96.9558 150.0 107.0529 110.0 133.0239 590.0 134.0292 100.0 209.0873 130.0 233.0937 200.0 248.0976 120.0 249.1109 160.0 274.005 120.0 309.027 230.0 347.0075 160.0 367.1268 2000.0 368.1297 850.0 369.1415 480.0 369.2007 130.0 384.1558 120.0 399.0375 200.0 434.302 120.0 462.2035 190.0 479.0939 100.0 481.2009 130.0 531.0673 340.0 544.2217 200.0 656.1144 100.0 END IONS BEGIN IONS SCANS=9288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9292 PEPMASS=357.2268 CHARGE=-1 COLLISION_ENERGY=0.0 83.0503 180.0 102.0523 100.0 121.0624 150.0 130.9699 110.0 175.0333 140.0 177.2231 100.0 181.1264 100.0 183.1011 190.0 186.1223 100.0 197.0454 140.0 201.1104 350.0 209.1525 200.0 229.9419 140.0 237.1492 880.0 237.1959 200.0 249.1584 220.0 251.1695 140.0 254.0792 180.0 269.1713 580.0 270.177 330.0 271.1653 130.0 299.1928 260.0 300.1859 200.0 719.7661 130.0 END IONS BEGIN IONS SCANS=9293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9296 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9297 PEPMASS=731.1596 CHARGE=-1 COLLISION_ENERGY=0.0 108.0252 170.0 111.0767 110.0 122.0323 200.0 133.0288 270.0 135.0436 220.0 136.0468 130.0 151.0402 130.0 165.0475 130.0 173.0684 190.0 175.0768 120.0 185.0215 730.0 187.0377 140.0 229.0124 150.0 236.0867 150.0 264.0615 150.0 266.0472 130.0 269.0954 140.0 281.0427 100.0 294.0515 280.0 295.0537 200.0 305.0278 170.0 309.0787 310.0 320.0267 350.0 321.0247 260.0 335.0531 1200.0 339.0334 120.0 353.0733 420.0 354.0583 160.0 902.8173 120.0 END IONS BEGIN IONS SCANS=9298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9299 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9305 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9307 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9310 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9313 PEPMASS=688.3677 CHARGE=-1 COLLISION_ENERGY=0.0 66.0336 190.0 99.0067 200.0 100.0392 280.0 112.041 180.0 116.0306 200.0 130.0502 220.0 141.0499 120.0 164.7115 120.0 182.0836 310.0 185.0216 120.0 195.077 100.0 202.1068 150.0 204.1115 100.0 212.0888 130.0 230.1056 660.0 231.0942 130.0 244.1138 130.0 262.127 1800.0 262.2121 120.0 263.127 360.0 263.1631 110.0 264.1313 260.0 300.2465 170.0 308.2528 160.0 327.2047 130.0 361.1896 140.0 379.0705 120.0 402.0989 130.0 436.981 130.0 469.1268 120.0 472.0479 190.0 482.3055 120.0 587.1894 110.0 653.3784 110.0 655.0099 120.0 END IONS BEGIN IONS SCANS=9314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9324 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9325 PEPMASS=507.0921 CHARGE=-1 COLLISION_ENERGY=0.0 77.155 170.0 89.0226 190.0 101.0281 120.0 166.1285 190.0 171.0994 130.0 191.03 110.0 191.0876 110.0 197.0404 190.0 198.0647 170.0 211.0379 220.0 243.0672 200.0 253.0493 1300.0 265.0459 300.0 281.0487 570.0 282.0621 180.0 283.0622 970.0 284.0578 470.0 309.0409 1300.0 310.0381 370.0 312.0478 120.0 327.0493 610.0 END IONS BEGIN IONS SCANS=9326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9338 PEPMASS=505.0782 CHARGE=-1 COLLISION_ENERGY=0.0 71.0127 190.0 72.9915 160.0 95.0141 120.0 101.0238 140.0 109.0668 120.0 122.0352 100.0 123.0482 130.0 135.0454 1200.0 174.0244 120.0 179.0353 100.0 181.068 150.0 197.0379 160.0 197.4465 110.0 214.0514 190.0 223.0388 300.0 224.0427 310.0 225.0528 470.0 227.0656 250.0 235.0423 420.0 253.0492 11000.0 254.0531 2200.0 281.0438 7100.0 282.0508 2200.0 283.06 9600.0 284.0599 2200.0 307.0212 810.0 309.0387 19000.0 310.04 3300.0 325.039 350.0 327.0495 5200.0 328.0544 630.0 737.2306 110.0 END IONS BEGIN IONS SCANS=9339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9345 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9346 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9348 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9349 PEPMASS=503.0958 CHARGE=-1 COLLISION_ENERGY=0.0 72.9948 350.0 107.0501 220.0 123.0444 260.0 135.0447 2500.0 135.0951 200.0 135.1442 210.0 136.0497 170.0 174.0644 120.0 195.0499 250.0 197.0526 220.0 205.0129 160.0 207.0435 220.0 223.0347 610.0 224.0458 370.0 234.0386 300.0 235.0436 370.0 251.0347 910.0 253.0523 2400.0 263.0346 1100.0 279.0361 1400.0 281.0461 2400.0 283.0601 2300.0 307.0263 1600.0 308.03 900.0 309.0388 5400.0 323.0582 570.0 325.0306 410.0 327.0483 1500.0 356.1321 120.0 400.1616 260.0 END IONS BEGIN IONS SCANS=9350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9353 PEPMASS=693.1668 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 240.0 90.0281 110.0 111.0037 260.0 186.1125 180.0 284.0332 200.0 285.0344 1000.0 286.0364 210.0 288.8014 170.0 351.0567 150.0 354.0709 250.0 355.0744 470.0 367.1218 100.0 387.1156 110.0 393.512 120.0 465.31 210.0 471.0873 180.0 633.146 120.0 634.1467 120.0 663.1947 1500.0 664.1922 460.0 END IONS BEGIN IONS SCANS=9354 PEPMASS=215.1275 CHARGE=-1 COLLISION_ENERGY=0.0 125.9718 120.0 153.1272 760.0 154.1273 120.0 257.5068 150.0 485.2451 110.0 END IONS BEGIN IONS SCANS=9355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9356 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9360 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9361 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9362 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9363 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9364 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9367 PEPMASS=695.216 CHARGE=-1 COLLISION_ENERGY=0.0 153.0519 200.0 191.0512 130.0 205.0556 140.0 229.0936 110.0 233.0588 140.0 237.0446 110.0 247.09 130.0 271.0213 190.0 285.0321 100.0 286.0375 140.0 311.0096 180.0 326.0524 150.0 337.0715 180.0 354.0732 2200.0 354.2218 100.0 355.0829 1700.0 355.247 120.0 356.0793 720.0 359.0783 170.0 459.0753 150.0 475.1387 120.0 478.1932 140.0 663.1958 620.0 664.1974 450.0 667.3839 140.0 END IONS BEGIN IONS SCANS=9368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9375 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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400.0 404.1357 180.0 405.1573 120.0 417.1515 300.0 417.1778 120.0 474.1318 130.0 481.0841 140.0 507.1633 110.0 535.16 170.0 536.1979 150.0 541.1373 140.0 547.2074 170.0 551.173 160.0 551.1918 130.0 564.1773 140.0 565.2066 1500.0 565.2915 180.0 566.1997 180.0 683.2104 110.0 713.2562 370.0 714.2554 130.0 715.2551 110.0 726.2432 160.0 744.2763 110.0 910.1094 130.0 END IONS BEGIN IONS SCANS=9453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9456 PEPMASS=810.3047 CHARGE=-1 COLLISION_ENERGY=0.0 104.0229 100.0 150.0586 150.0 151.0389 550.0 165.0546 390.0 166.0602 150.0 195.0621 660.0 218.0732 110.0 228.1618 160.0 404.1393 110.0 417.1505 200.0 493.105 120.0 565.2043 210.0 566.2293 450.0 567.2177 320.0 567.2754 150.0 581.1623 130.0 585.2043 120.0 614.2278 150.0 714.2703 180.0 744.2625 260.0 762.2703 210.0 774.2935 160.0 775.23 140.0 END IONS BEGIN IONS SCANS=9457 PEPMASS=541.0909 CHARGE=-1 COLLISION_ENERGY=0.0 72.9928 130.0 101.0248 120.0 123.0442 130.0 135.0432 1800.0 135.1332 140.0 166.3479 150.0 179.0295 350.0 185.0097 110.0 188.995 130.0 197.0417 200.0 238.0623 130.0 265.0424 120.0 266.0532 250.0 267.0595 180.0 278.169 110.0 281.0746 510.0 282.0855 130.0 309.042 140.0 310.0488 620.0 310.1182 120.0 325.0695 2700.0 326.0743 480.0 327.087 130.0 END IONS BEGIN IONS SCANS=9458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9463 PEPMASS=677.2049 CHARGE=-1 COLLISION_ENERGY=0.0 71.011 110.0 99.0424 100.0 204.0832 150.0 219.0616 110.0 233.1182 220.0 251.1342 120.0 275.0766 150.0 283.0247 110.0 297.0346 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100.0 528.3862 130.0 END IONS BEGIN IONS SCANS=9704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9706 PEPMASS=695.2153 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 180.0 116.923 160.0 119.0311 160.0 124.05 140.0 177.0663 240.0 179.0276 120.0 180.0284 110.0 191.0514 790.0 207.0542 200.0 325.0708 130.0 326.0683 320.0 327.2165 160.0 339.0598 640.0 340.056 310.0 354.0702 2000.0 354.9195 180.0 355.0761 2000.0 355.1712 150.0 356.0762 330.0 394.0725 170.0 412.9925 130.0 425.0946 120.0 517.3319 130.0 627.2769 110.0 663.1973 590.0 663.9497 100.0 664.2023 240.0 END IONS BEGIN IONS SCANS=9707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9711 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9727 PEPMASS=541.3123 CHARGE=-1 COLLISION_ENERGY=0.0 95.0124 110.0 96.9567 260.0 110.9858 150.0 114.0544 360.0 171.0032 140.0 187.056 120.0 217.0832 110.0 224.9359 120.0 225.9028 130.0 234.4392 150.0 317.008 120.0 334.1144 130.0 339.0249 110.0 379.1845 120.0 379.811 120.0 385.4309 110.0 387.2334 160.0 397.0106 150.0 408.1153 250.0 408.9787 210.0 415.0769 180.0 515.0235 110.0 834.9533 100.0 END IONS BEGIN IONS SCANS=9728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9736 PEPMASS=426.2839 CHARGE=-1 COLLISION_ENERGY=0.0 97.0311 130.0 99.0521 150.0 99.5553 150.0 114.9752 100.0 116.0703 4300.0 116.9265 120.0 117.0736 240.0 117.0787 100.0 125.4954 110.0 153.0823 160.0 162.0573 130.0 165.1278 140.0 171.1003 250.0 184.1746 100.0 201.0147 140.0 243.1208 110.0 247.6248 130.0 255.0633 130.0 267.2077 110.0 292.1945 120.0 381.1458 140.0 381.2324 100.0 391.1156 130.0 END IONS BEGIN IONS SCANS=9737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9740 PEPMASS=713.1121 CHARGE=-1 COLLISION_ENERGY=0.0 88.0386 120.0 89.0344 240.0 101.0256 120.0 109.0244 190.0 133.033 100.0 135.0404 210.0 149.0257 110.0 151.0457 210.0 159.049 140.0 160.0153 120.0 161.0205 240.0 177.0165 190.0 179.0324 180.0 219.0836 100.0 221.0343 160.0 229.0082 260.0 241.0244 180.0 243.0264 110.0 260.9438 140.0 275.0203 110.0 283.0507 110.0 294.0514 100.0 295.0553 290.0 309.0365 300.0 335.0183 11000.0 336.0195 2200.0 337.0266 300.0 337.0348 420.0 338.0347 430.0 353.0479 140.0 357.0463 350.0 394.1215 240.0 405.0653 180.0 413.0834 120.0 445.1264 260.0 472.0728 150.0 475.0813 210.0 489.1071 100.0 515.0309 200.0 516.0717 100.0 519.1052 120.0 522.8683 140.0 532.0436 220.0 533.0807 340.0 555.1191 160.0 594.0723 240.0 616.6361 210.0 660.3137 140.0 758.0132 110.0 965.134 140.0 END IONS BEGIN IONS SCANS=9741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9744 PEPMASS=297.1231 CHARGE=-1 COLLISION_ENERGY=0.0 92.0518 130.0 104.0497 390.0 108.0809 670.0 121.0526 1800.0 136.0763 1600.0 137.0794 200.0 148.0402 840.0 160.0375 220.0 205.5378 150.0 END IONS BEGIN IONS SCANS=9745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9754 PEPMASS=345.2275 CHARGE=-1 COLLISION_ENERGY=0.0 95.05 120.0 96.9598 110.0 106.9575 150.0 121.9932 140.0 123.0799 290.0 132.0409 180.0 157.1172 170.0 248.2044 100.0 251.0388 150.0 309.1956 160.0 END IONS BEGIN IONS SCANS=9755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9760 PEPMASS=831.4374 CHARGE=-1 COLLISION_ENERGY=0.0 130.0478 140.0 145.016 110.0 158.647 140.0 163.0699 200.0 165.0943 240.0 179.0318 200.0 181.8489 140.0 235.0555 140.0 254.0178 140.0 270.1117 130.0 313.235 220.0 314.0322 110.0 321.0395 170.0 332.111 130.0 339.0349 220.0 341.227 180.0 357.2641 100.0 359.12 130.0 391.0964 120.0 461.325 190.0 471.3587 160.0 488.3118 200.0 490.334 130.0 505.3023 140.0 506.3181 130.0 507.3308 610.0 507.4001 120.0 508.3379 510.0 509.3441 180.0 560.2158 180.0 633.3993 190.0 636.4328 120.0 651.3695 140.0 652.3745 170.0 669.3892 1300.0 670.3938 1100.0 671.4005 140.0 939.2513 160.0 END IONS BEGIN IONS SCANS=9761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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160.0 END IONS BEGIN IONS SCANS=9768 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9782 PEPMASS=541.314 CHARGE=-1 COLLISION_ENERGY=0.0 116.0653 230.0 135.0463 330.0 167.038 170.0 170.879 150.0 171.1285 140.0 177.0118 120.0 188.056 150.0 200.1359 160.0 257.1141 120.0 271.1491 110.0 309.039 170.0 313.1596 130.0 324.1157 180.0 341.0678 210.0 345.0396 200.0 409.2548 110.0 445.0861 240.0 457.1169 120.0 472.1514 130.0 715.1392 170.0 END IONS BEGIN IONS SCANS=9783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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7400.0 118.0403 220.0 121.0289 470.0 130.0425 270.0 149.0276 480.0 151.0024 490.0 159.0457 210.0 182.04 150.0 202.0637 170.0 641.1921 260.0 END IONS BEGIN IONS SCANS=9811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9820 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9822 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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CHARGE=-1 COLLISION_ENERGY=0.0 71.0143 270.0 75.0094 270.0 78.9608 110.0 101.0232 420.0 152.0009 150.0 180.0588 100.0 195.0566 160.0 210.4974 130.0 225.0534 330.0 225.9471 120.0 233.097 130.0 236.0315 170.0 239.0289 250.0 266.0554 320.0 267.0628 2600.0 267.1668 150.0 268.0691 490.0 269.0606 280.0 295.0251 450.0 304.0624 140.0 309.038 170.0 311.0587 490.0 312.0605 110.0 333.0355 130.0 345.1138 100.0 361.1365 110.0 365.1606 110.0 415.105 100.0 END IONS BEGIN IONS SCANS=9857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9874 PEPMASS=512.2959 CHARGE=-1 COLLISION_ENERGY=0.0 71.015 440.0 71.0454 120.0 72.9943 220.0 73.0316 1300.0 73.0925 120.0 84.0406 120.0 109.039 120.0 223.0991 170.0 223.2021 700.0 224.2072 460.0 225.2176 140.0 227.0109 150.0 235.205 310.0 253.2155 1600.0 254.2117 750.0 265.207 190.0 282.2345 470.0 283.2417 200.0 290.2397 250.0 315.2499 100.0 END IONS BEGIN IONS SCANS=9875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9888 PEPMASS=439.2762 CHARGE=-1 COLLISION_ENERGY=0.0 72.9909 210.0 87.0411 160.0 87.0676 100.0 127.0523 370.0 128.0398 240.0 134.8891 110.0 138.0522 200.0 145.0566 390.0 244.9866 150.0 261.0458 240.0 290.2253 120.0 329.2307 400.0 343.2531 120.0 352.21 230.0 373.1882 200.0 394.5808 110.0 END IONS BEGIN IONS SCANS=9889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9900 PEPMASS=677.2067 CHARGE=-1 COLLISION_ENERGY=0.0 173.0613 110.0 175.0004 480.0 191.0402 170.0 199.1502 160.0 267.058 130.0 285.0445 120.0 298.0339 200.0 313.0184 470.0 314.033 150.0 325.035 2000.0 325.1575 100.0 326.0356 430.0 353.0864 170.0 368.0896 3300.0 369.0919 2100.0 369.2108 150.0 370.1012 700.0 371.0895 140.0 413.1113 120.0 534.3044 120.0 END IONS BEGIN IONS SCANS=9901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9923 PEPMASS=521.2844 CHARGE=-1 COLLISION_ENERGY=0.0 96.9651 100.0 97.0356 160.0 141.0144 110.0 152.9897 100.0 153.9917 130.0 197.0407 200.0 282.0085 110.0 324.2264 170.0 341.872 130.0 357.1848 100.0 375.2067 130.0 481.1958 110.0 579.2448 120.0 END IONS BEGIN IONS SCANS=9924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9927 PEPMASS=299.0544 CHARGE=-1 COLLISION_ENERGY=0.0 63.0248 940.0 65.005 360.0 83.0164 520.0 94.0084 130.0 107.0142 410.0 133.027 350.0 134.0358 380.0 149.0183 120.0 151.0019 840.0 151.6863 120.0 158.0362 110.0 172.0611 180.0 187.0347 120.0 200.0425 210.0 211.0362 120.0 212.0487 190.0 213.0349 120.0 227.04 230.0 228.0465 130.0 255.0334 160.0 256.0488 360.0 END IONS BEGIN IONS SCANS=9928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9932 PEPMASS=509.2491 CHARGE=-1 COLLISION_ENERGY=0.0 92.9252 180.0 132.0633 320.0 140.0793 140.0 163.0184 110.0 199.0475 170.0 253.2096 380.0 253.2506 120.0 265.2154 140.0 299.9392 150.0 308.2622 240.0 309.1151 130.0 311.219 1100.0 314.2655 230.0 315.0536 130.0 348.1011 130.0 356.2734 670.0 357.2774 120.0 386.2805 240.0 398.2879 220.0 474.3149 110.0 479.1387 140.0 629.2736 100.0 END IONS BEGIN IONS SCANS=9933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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191.0553 3100.0 192.0539 520.0 195.1108 190.0 204.0325 180.0 231.0309 110.0 269.213 100.0 278.1117 210.0 291.1853 100.0 313.7688 150.0 321.0418 190.0 323.1768 280.0 331.2478 980.0 332.2489 360.0 339.0505 330.0 481.285 110.0 507.2525 110.0 528.3053 100.0 END IONS BEGIN IONS SCANS=10061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10067 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10068 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10069 PEPMASS=301.2007 CHARGE=-1 COLLISION_ENERGY=0.0 130.9727 170.0 183.135 130.0 221.1812 200.0 END IONS BEGIN IONS 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10425 PEPMASS=307.1904 CHARGE=-1 COLLISION_ENERGY=0.0 80.0235 100.0 81.034 110.0 93.0315 190.0 106.0404 200.0 107.0394 150.0 107.0846 100.0 109.0632 320.0 166.0904 110.0 183.0984 110.0 195.1765 140.0 END IONS BEGIN IONS SCANS=10426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10427 PEPMASS=487.2864 CHARGE=-1 COLLISION_ENERGY=0.0 87.0454 110.0 96.043 180.0 101.0192 570.0 107.0566 130.0 109.0251 130.0 119.0325 1100.0 123.0093 130.0 133.0546 280.0 161.0208 180.0 162.0299 230.0 171.0991 290.0 177.0761 710.0 178.0746 450.0 179.039 220.0 207.1365 120.0 213.1112 110.0 229.1346 100.0 241.1067 120.0 251.6475 280.0 259.0575 130.0 289.1066 160.0 310.0314 180.0 310.2322 150.0 311.0491 330.0 327.2159 1100.0 328.2142 340.0 331.2592 170.0 353.0632 100.0 367.0927 180.0 413.2568 220.0 415.1415 150.0 421.2504 150.0 611.992 170.0 651.3946 110.0 END IONS BEGIN IONS SCANS=10428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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174.8861 170.0 175.0219 160.0 185.1303 230.0 193.0713 110.0 201.1071 130.0 217.1195 130.0 229.1887 150.0 238.0273 140.0 253.2212 240.0 262.1366 120.0 273.1861 160.0 291.188 120.0 293.1985 140.0 309.2042 130.0 317.7077 150.0 398.2763 260.0 413.1652 210.0 434.1204 170.0 450.2907 170.0 457.2499 130.0 468.1675 210.0 489.1461 110.0 552.7746 130.0 690.2436 130.0 988.0822 100.0 END IONS BEGIN IONS SCANS=10446 PEPMASS=329.2322 CHARGE=-1 COLLISION_ENERGY=0.0 85.0216 110.0 99.0789 260.0 125.0937 150.0 169.1286 180.0 END IONS BEGIN IONS SCANS=10447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10453 PEPMASS=0.0 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160.0 171.1064 110.0 201.0978 130.0 208.0804 110.0 271.7938 100.0 END IONS BEGIN IONS SCANS=10524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10529 PEPMASS=440.2979 CHARGE=-1 COLLISION_ENERGY=0.0 83.0114 150.0 87.048 430.0 94.0302 230.0 94.8635 140.0 116.0706 330.0 128.0323 400.0 128.1068 250.0 130.0866 6000.0 131.0876 360.0 131.0945 220.0 170.1167 120.0 174.9512 210.0 175.1114 130.0 180.968 190.0 197.1151 120.0 206.1596 140.0 223.1688 120.0 235.1899 270.0 240.1998 130.0 241.0739 110.0 241.1927 200.0 271.1368 140.0 282.166 200.0 290.2448 110.0 308.2173 130.0 311.2122 350.0 326.1014 130.0 327.2098 330.0 337.2151 130.0 349.1798 120.0 367.1486 140.0 378.9711 110.0 848.8534 120.0 END IONS BEGIN IONS SCANS=10530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10533 PEPMASS=623.1189 CHARGE=-1 COLLISION_ENERGY=0.0 96.9572 130.0 108.0474 180.0 111.0858 120.0 116.974 210.0 133.0279 210.0 135.0484 150.0 136.0653 130.0 151.0363 150.0 154.9845 130.0 161.0241 570.0 161.0737 100.0 203.0666 180.0 235.5618 110.0 261.0626 270.0 264.0941 160.0 266.0574 180.0 311.0555 200.0 312.0498 180.0 313.0651 220.0 328.1001 150.0 337.079 110.0 371.0856 280.0 381.0801 110.0 399.1636 120.0 415.0821 1400.0 416.0775 910.0 443.0726 3200.0 443.2695 120.0 444.0797 810.0 445.0862 250.0 507.1846 140.0 END IONS BEGIN IONS SCANS=10534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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520.3286 150.0 756.0367 100.0 END IONS BEGIN IONS SCANS=10546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10547 PEPMASS=533.3286 CHARGE=-1 COLLISION_ENERGY=0.0 79.8501 110.0 101.0259 1600.0 102.0287 110.0 159.0625 140.0 213.8418 130.0 218.0879 240.0 219.0979 190.0 306.9776 130.0 331.2503 120.0 357.0616 260.0 415.2645 470.0 416.2731 440.0 433.1199 170.0 451.2552 190.0 465.0942 150.0 END IONS BEGIN IONS SCANS=10548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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PEPMASS=303.0074 CHARGE=-1 COLLISION_ENERGY=0.0 65.0052 130.0 77.0025 230.0 86.9775 320.0 94.0264 150.0 96.9587 330.0 98.9662 150.0 116.985 220.0 117.0331 1300.0 118.0391 160.0 119.0141 250.0 140.9664 230.0 147.0559 210.0 154.0676 110.0 167.0517 330.0 175.0396 210.0 176.0689 150.0 184.9621 160.0 211.0329 100.0 212.0343 120.0 232.1017 150.0 239.0336 160.0 329.3351 140.0 404.7126 270.0 604.7226 110.0 END IONS BEGIN IONS SCANS=10570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10574 PEPMASS=382.2552 CHARGE=-1 COLLISION_ENERGY=0.0 70.0397 170.0 83.0162 190.0 88.0416 5300.0 88.1282 150.0 89.0481 270.0 94.9237 140.0 102.0357 170.0 109.0711 130.0 123.0812 160.0 126.9955 180.0 133.0312 120.0 184.029 100.0 213.0402 170.0 221.1121 180.0 236.0467 130.0 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CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10738 PEPMASS=287.1856 CHARGE=-1 COLLISION_ENERGY=0.0 207.1693 200.0 225.1836 740.0 226.1886 170.0 226.2267 100.0 241.1782 1500.0 242.1791 350.0 END IONS BEGIN IONS SCANS=10739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10741 PEPMASS=369.2238 CHARGE=-1 COLLISION_ENERGY=0.0 65.9999 180.0 69.0354 150.0 79.9541 160.0 83.9349 190.0 111.0811 180.0 112.0903 180.0 176.0315 140.0 183.1351 430.0 211.1347 370.0 323.1031 210.0 326.1197 110.0 958.4733 130.0 END IONS BEGIN IONS SCANS=10742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10744 PEPMASS=311.2206 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 190.0 81.0346 100.0 82.0678 260.0 99.0862 250.0 112.0118 200.0 113.0938 180.0 121.0962 220.0 130.9643 660.0 135.1142 260.0 139.1108 380.0 155.1074 450.0 159.0952 170.0 171.1003 280.0 174.9567 330.0 181.1214 550.0 191.1033 160.0 203.0702 300.0 210.0823 180.0 211.8203 150.0 277.2375 140.0 284.0211 210.0 END IONS BEGIN IONS SCANS=10745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10750 PEPMASS=271.1537 CHARGE=-1 COLLISION_ENERGY=0.0 71.0494 110.0 83.0913 160.0 127.0765 510.0 211.1693 100.0 END IONS BEGIN IONS SCANS=10751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10755 PEPMASS=187.1331 CHARGE=-1 COLLISION_ENERGY=0.0 141.1282 860.0 142.1295 350.0 142.8955 130.0 END IONS BEGIN IONS SCANS=10756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10757 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222.1531 140.0 227.1044 180.0 230.1934 120.0 251.1613 150.0 260.0755 120.0 291.1998 100.0 309.2082 150.0 393.4504 140.0 END IONS BEGIN IONS SCANS=10780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10793 PEPMASS=309.1748 CHARGE=-1 COLLISION_ENERGY=0.0 70.9982 150.0 73.0304 200.0 95.0096 260.0 99.01 620.0 99.0787 130.0 116.925 120.0 122.0305 120.0 123.0415 100.0 130.9634 320.0 137.0645 240.0 137.0897 130.0 189.0902 170.0 209.1557 270.0 END IONS BEGIN IONS SCANS=10794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10796 PEPMASS=341.2309 CHARGE=-1 COLLISION_ENERGY=0.0 87.0463 140.0 130.0882 140.0 179.1321 120.0 END IONS BEGIN IONS SCANS=10797 PEPMASS=377.1942 CHARGE=-1 COLLISION_ENERGY=0.0 67.0548 180.0 87.0448 320.0 91.0567 220.0 97.0665 350.0 119.8483 130.0 130.9646 100.0 243.1321 120.0 285.9756 230.0 END IONS BEGIN IONS SCANS=10798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10807 PEPMASS=707.1527 CHARGE=-1 COLLISION_ENERGY=0.0 147.802 100.0 161.0598 160.0 177.0144 150.0 179.0333 110.0 260.0563 150.0 362.015 120.0 367.2485 120.0 475.0969 150.0 475.2053 160.0 490.1048 1600.0 490.2405 210.0 491.1065 530.0 491.1637 220.0 508.1195 600.0 509.1153 560.0 581.7736 140.0 671.1771 2600.0 671.4075 170.0 672.1794 1700.0 672.2721 230.0 673.171 590.0 673.3448 150.0 END IONS BEGIN IONS SCANS=10808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10814 PEPMASS=695.3797 CHARGE=-1 COLLISION_ENERGY=0.0 91.0375 110.0 103.0063 130.0 114.0318 110.0 171.0993 160.0 172.0921 130.0 235.0426 140.0 235.0752 130.0 297.2414 1400.0 299.2284 110.0 340.5784 170.0 379.0122 110.0 397.1325 850.0 398.1449 150.0 401.0803 150.0 415.1433 190.0 416.1535 180.0 425.1585 150.0 551.2585 100.0 576.2758 150.0 594.2776 110.0 612.2961 150.0 629.2603 180.0 630.3203 160.0 END IONS BEGIN IONS SCANS=10815 PEPMASS=271.1542 CHARGE=-1 COLLISION_ENERGY=0.0 60.4359 110.0 197.0207 160.0 581.9174 110.0 641.782 110.0 END IONS BEGIN IONS SCANS=10816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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150.0 287.0822 100.0 293.202 640.0 294.2073 170.0 295.0779 150.0 297.236 200.0 317.1943 150.0 319.0693 140.0 358.1268 110.0 381.1534 230.0 421.2002 120.0 END IONS BEGIN IONS SCANS=10823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10832 PEPMASS=356.2423 CHARGE=-1 COLLISION_ENERGY=0.0 112.0762 130.0 143.0692 150.0 157.1172 200.0 183.9803 140.0 229.1014 110.0 250.1516 200.0 299.1213 130.0 END IONS BEGIN IONS SCANS=10833 PEPMASS=325.2019 CHARGE=-1 COLLISION_ENERGY=0.0 97.0662 260.0 101.0564 180.0 101.0837 110.0 116.9281 130.0 123.038 150.0 123.0768 170.0 137.0991 320.0 153.0843 120.0 167.638 100.0 263.2071 270.0 279.0982 110.0 END IONS BEGIN IONS SCANS=10834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10855 PEPMASS=529.3002 CHARGE=-1 COLLISION_ENERGY=0.0 78.9608 180.0 101.024 2200.0 127.0683 140.0 132.0442 110.0 161.0912 150.0 197.1189 120.0 203.1244 170.0 219.0904 140.0 287.1376 140.0 295.2409 140.0 334.134 150.0 END IONS BEGIN IONS SCANS=10856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10879 PEPMASS=861.4461 CHARGE=-1 COLLISION_ENERGY=0.0 72.9968 140.0 89.029 140.0 101.0202 130.0 125.1059 290.0 136.0483 140.0 169.0886 130.0 179.0496 120.0 179.1333 160.0 180.0338 190.0 187.0955 1200.0 195.1363 130.0 229.0076 130.0 236.0921 220.0 243.1308 110.0 245.1385 120.0 275.2109 110.0 293.2131 140.0 294.2075 160.0 321.0266 170.0 333.1575 120.0 335.1003 140.0 339.2091 160.0 407.0431 110.0 415.1466 480.0 435.066 140.0 552.1857 170.0 569.228 100.0 585.2419 570.0 696.375 220.0 751.3601 120.0 END IONS BEGIN IONS SCANS=10880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10889 PEPMASS=582.3412 CHARGE=-1 COLLISION_ENERGY=0.0 78.9587 200.0 78.9636 140.0 88.0399 170.0 89.023 190.0 113.0049 150.0 128.0488 110.0 152.9941 550.0 155.1053 820.0 164.9218 140.0 168.0413 410.0 171.0971 160.0 184.0248 160.0 224.0669 690.0 225.0707 250.0 279.2265 250.0 279.2374 390.0 297.2424 7500.0 297.3172 330.0 297.4019 270.0 298.2469 1500.0 312.0967 140.0 346.1269 130.0 347.1465 110.0 373.0736 110.0 495.9864 210.0 507.257 150.0 522.3429 110.0 523.3186 110.0 525.2251 170.0 533.0823 110.0 635.9531 130.0 774.6837 170.0 END IONS BEGIN IONS SCANS=10890 PEPMASS=311.1878 CHARGE=-1 COLLISION_ENERGY=0.0 60.0147 150.0 71.0161 150.0 72.9961 140.0 79.9577 260.0 125.0963 270.0 126.0206 100.0 130.9683 150.0 133.0301 120.0 141.129 120.0 161.0264 100.0 167.1296 230.0 169.1211 160.0 174.9456 150.0 176.9565 200.0 215.1217 100.0 223.8619 150.0 249.1794 700.0 249.185 300.0 249.2108 170.0 267.1945 9400.0 268.2003 1800.0 275.1605 650.0 END IONS BEGIN IONS SCANS=10891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10901 PEPMASS=0.0 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113.0229 720.0 115.0438 140.0 124.0093 160.0 143.0381 280.0 161.0417 180.0 166.0218 100.0 179.0544 120.0 189.0334 110.0 193.0688 190.0 235.0838 120.0 253.1297 200.0 263.079 130.0 277.2159 1900.0 277.3674 140.0 278.2194 470.0 279.2272 310.0 415.1368 120.0 416.1452 170.0 497.1083 110.0 END IONS BEGIN IONS SCANS=11343 PEPMASS=711.3351 CHARGE=-1 COLLISION_ENERGY=0.0 113.0325 200.0 119.036 290.0 139.1131 150.0 145.0254 120.0 190.0651 100.0 259.2166 100.0 277.2115 490.0 397.1373 200.0 END IONS BEGIN IONS SCANS=11344 PEPMASS=721.3637 CHARGE=-1 COLLISION_ENERGY=0.0 71.0151 720.0 72.0459 150.0 73.0298 270.0 89.0238 2200.0 89.1112 160.0 97.0294 150.0 101.0248 720.0 113.0257 710.0 119.0343 740.0 121.0292 150.0 125.0214 320.0 144.047 250.0 155.0378 150.0 161.0384 350.0 162.0452 260.0 179.0508 160.0 194.148 150.0 233.0783 140.0 235.0832 550.0 277.0848 150.0 277.2188 2800.0 277.3728 190.0 278.2234 740.0 279.2152 140.0 356.2894 160.0 397.1259 860.0 398.1253 120.0 415.1435 150.0 417.1464 180.0 518.1678 150.0 END IONS BEGIN IONS SCANS=11345 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11346 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11347 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11348 PEPMASS=221.0941 CHARGE=-1 COLLISION_ENERGY=0.0 113.0976 170.0 141.1272 820.0 159.8942 110.0 185.1157 140.0 193.0917 180.0 975.7096 110.0 END IONS BEGIN IONS SCANS=11349 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11353 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11354 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11356 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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156.1452 150.0 156.4155 110.0 156.6558 130.0 353.4387 120.0 END IONS BEGIN IONS SCANS=11396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11401 PEPMASS=677.1413 CHARGE=-1 COLLISION_ENERGY=0.0 78.9578 210.0 87.006 110.0 113.0976 280.0 114.9872 150.0 125.0261 140.0 149.094 170.0 159.0382 130.0 213.4652 120.0 241.0193 120.0 248.0687 110.0 253.051 290.0 254.0538 720.0 269.0478 140.0 277.2033 210.0 278.2223 130.0 347.4823 100.0 408.3771 130.0 435.2344 150.0 473.1221 240.0 489.1041 310.0 490.102 6500.0 491.1112 1600.0 491.2067 240.0 492.123 350.0 508.1135 430.0 509.1108 200.0 512.2852 150.0 514.1723 190.0 END IONS BEGIN IONS SCANS=11402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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209.1505 240.0 210.1581 200.0 464.9103 150.0 END IONS BEGIN IONS SCANS=11423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11434 PEPMASS=699.3935 CHARGE=-1 COLLISION_ENERGY=0.0 71.0128 240.0 97.0689 200.0 99.0408 140.0 111.0045 180.0 112.9858 180.0 187.0949 440.0 208.0653 130.0 261.1473 160.0 293.2158 220.0 323.0919 140.0 341.0981 110.0 397.0955 180.0 400.7436 260.0 445.414 110.0 563.1604 140.0 566.0678 100.0 637.1625 110.0 639.2347 160.0 641.1638 160.0 655.4494 240.0 664.295 220.0 664.3939 160.0 669.201 270.0 763.9303 140.0 END IONS BEGIN IONS SCANS=11435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11444 PEPMASS=552.2857 CHARGE=-1 COLLISION_ENERGY=0.0 78.959 400.0 81.0249 120.0 85.0272 120.0 87.0436 120.0 97.0316 140.0 135.0381 110.0 164.0395 160.0 168.0411 250.0 205.1951 120.0 208.1431 130.0 224.0756 160.0 225.0736 110.0 233.229 170.0 253.0385 170.0 265.1854 130.0 276.2092 120.0 276.2794 120.0 277.2148 3700.0 278.2203 950.0 375.0559 130.0 376.0577 100.0 END IONS BEGIN IONS SCANS=11445 PEPMASS=562.3139 CHARGE=-1 COLLISION_ENERGY=0.0 78.9573 940.0 78.9625 920.0 83.0508 110.0 96.9689 150.0 119.0623 140.0 152.9952 490.0 153.997 210.0 168.036 670.0 168.0482 230.0 217.15 260.0 224.0652 1100.0 224.0732 890.0 225.0649 280.0 242.0667 200.0 242.0752 220.0 275.2031 210.0 277.2159 15000.0 277.3238 270.0 278.2195 2600.0 278.2265 510.0 279.2242 260.0 326.0585 120.0 343.2641 180.0 353.0823 150.0 392.3745 260.0 395.8012 130.0 403.0484 150.0 471.316 120.0 502.29 6200.0 503.2932 1900.0 503.6239 100.0 504.2968 430.0 504.3588 110.0 535.1072 130.0 END IONS BEGIN IONS SCANS=11446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11447 PEPMASS=132.9226 CHARGE=-1 COLLISION_ENERGY=0.0 99.9242 130.0 100.9326 1200.0 100.9843 100.0 101.9358 190.0 571.3794 130.0 END IONS BEGIN IONS SCANS=11448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11479 PEPMASS=293.1752 CHARGE=-1 COLLISION_ENERGY=0.0 96.9607 160.0 114.9938 170.0 136.0936 100.0 142.9222 130.0 151.1113 120.0 192.118 360.0 193.1582 380.0 193.1927 100.0 194.1651 160.0 215.0713 240.0 220.1452 980.0 221.1535 1300.0 221.5634 160.0 222.1577 520.0 236.1045 800.0 250.1883 160.0 251.2041 250.0 267.0696 130.0 END IONS BEGIN IONS SCANS=11480 PEPMASS=361.1649 CHARGE=-1 COLLISION_ENERGY=0.0 92.9244 120.0 96.9601 160.0 137.0241 160.0 157.0365 130.0 164.9264 160.0 178.061 200.0 193.1557 630.0 193.1905 270.0 194.1692 170.0 209.0786 180.0 221.1533 340.0 236.1034 750.0 237.1029 260.0 248.0618 240.0 249.1841 510.0 268.9975 170.0 293.1768 680.0 294.1809 230.0 307.1249 120.0 307.2039 120.0 429.6512 140.0 END IONS BEGIN IONS SCANS=11481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11489 PEPMASS=313.2376 CHARGE=-1 COLLISION_ENERGY=0.0 97.069 140.0 99.082 350.0 187.0707 100.0 704.1118 130.0 741.7911 110.0 END IONS BEGIN IONS SCANS=11490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11499 PEPMASS=309.2057 CHARGE=-1 COLLISION_ENERGY=0.0 86.9784 130.0 96.9589 210.0 183.0109 140.0 197.9879 140.0 332.3734 120.0 END IONS BEGIN IONS SCANS=11500 PEPMASS=345.1833 CHARGE=-1 COLLISION_ENERGY=0.0 223.1659 120.0 298.0574 170.0 553.9548 110.0 END IONS BEGIN IONS SCANS=11501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11509 PEPMASS=641.1658 CHARGE=-1 COLLISION_ENERGY=0.0 241.2175 220.0 253.0447 170.0 263.1945 190.0 385.2153 120.0 417.1439 160.0 472.085 180.0 482.0142 180.0 490.0985 960.0 491.1106 920.0 491.1793 120.0 508.1145 500.0 509.1066 170.0 582.2353 210.0 END IONS BEGIN IONS SCANS=11510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11517 PEPMASS=311.2221 CHARGE=-1 COLLISION_ENERGY=0.0 87.045 100.0 127.1097 170.0 129.0915 1100.0 137.0917 260.0 141.0529 280.0 141.0925 170.0 141.1189 130.0 155.1083 180.0 169.1186 170.0 171.0991 420.0 174.9565 320.0 183.135 2000.0 184.145 160.0 201.1126 640.0 202.1167 300.0 209.1565 120.0 223.1608 230.0 231.2024 130.0 249.2018 110.0 275.1979 490.0 277.2161 410.0 608.227 130.0 954.0148 130.0 END IONS BEGIN IONS SCANS=11518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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SCANS=11536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11549 PEPMASS=0.0 CHARGE=1 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11560 PEPMASS=440.301 CHARGE=-1 COLLISION_ENERGY=0.0 96.048 140.0 99.0067 110.0 111.0792 150.0 126.0599 170.0 141.0416 220.0 144.0695 710.0 145.0645 230.0 156.0654 220.0 168.0665 130.0 186.0757 980.0 186.2028 110.0 198.0733 250.0 241.1866 110.0 253.2207 140.0 265.2081 440.0 362.267 260.0 379.1854 130.0 397.1828 470.0 399.233 130.0 END IONS BEGIN IONS SCANS=11561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11576 PEPMASS=313.2373 CHARGE=-1 COLLISION_ENERGY=0.0 75.0073 250.0 127.1102 130.0 157.1164 130.0 171.0985 210.0 172.2233 110.0 183.1329 120.0 201.111 1600.0 202.115 160.0 203.1149 350.0 255.2255 120.0 269.0373 190.0 278.2196 150.0 510.9768 120.0 END IONS BEGIN IONS SCANS=11577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11578 PEPMASS=381.2253 CHARGE=-1 COLLISION_ENERGY=0.0 89.022 200.0 125.0951 140.0 126.0637 220.0 127.1113 150.0 144.1012 170.0 147.0822 130.0 155.1179 200.0 164.0717 150.0 171.1014 170.0 179.1071 180.0 193.0828 560.0 195.0974 130.0 201.1119 1000.0 202.1165 230.0 203.0986 100.0 223.0745 160.0 236.4276 120.0 277.2116 210.0 311.2247 140.0 313.2426 210.0 314.242 110.0 END IONS BEGIN IONS SCANS=11579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11582 PEPMASS=638.3294 CHARGE=-1 COLLISION_ENERGY=0.0 171.0984 240.0 191.0916 150.0 196.0291 110.0 222.0772 150.0 228.2625 150.0 242.0963 120.0 268.0514 160.0 279.1479 190.0 279.2352 720.0 280.2386 320.0 329.2343 180.0 476.2731 1000.0 477.2893 380.0 478.2468 120.0 518.2877 340.0 525.3259 110.0 END IONS BEGIN IONS SCANS=11583 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11585 PEPMASS=0.0 CHARGE=1 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IONS SCANS=11599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11602 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11603 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11604 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11606 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11607 PEPMASS=477.2848 CHARGE=-1 COLLISION_ENERGY=0.0 85.0277 220.0 85.0627 150.0 85.0702 110.0 117.0336 1000.0 118.0358 420.0 119.0518 1800.0 131.0677 1500.0 145.0294 21000.0 146.0325 2600.0 160.9326 210.0 163.0398 1400.0 164.02 150.0 164.0399 200.0 167.1122 150.0 169.0415 160.0 203.0358 140.0 217.159 170.0 254.2076 100.0 256.2267 110.0 313.242 180.0 329.2283 210.0 331.2433 1600.0 331.2522 1300.0 332.2512 210.0 332.2639 260.0 374.321 200.0 377.2779 100.0 386.2872 120.0 391.3242 130.0 393.2454 130.0 418.1523 280.0 444.2943 120.0 END IONS BEGIN IONS SCANS=11608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11609 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11617 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11621 PEPMASS=295.1914 CHARGE=-1 COLLISION_ENERGY=0.0 114.9976 130.0 136.9082 180.0 155.1071 190.0 171.1144 130.0 232.8282 120.0 235.1682 110.0 238.1054 120.0 251.1994 1100.0 252.2068 390.0 536.2331 140.0 END IONS BEGIN IONS SCANS=11622 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11627 PEPMASS=271.1907 CHARGE=-1 COLLISION_ENERGY=0.0 157.0844 110.0 181.1531 120.0 193.0508 210.0 209.1924 870.0 210.1952 320.0 END IONS BEGIN IONS SCANS=11628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11629 PEPMASS=0.0 CHARGE=1 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11642 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11643 PEPMASS=313.2375 CHARGE=-1 COLLISION_ENERGY=0.0 97.0492 110.0 171.0966 160.0 END IONS BEGIN IONS SCANS=11644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11659 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11660 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11661 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11662 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11663 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11664 PEPMASS=291.1956 CHARGE=-1 COLLISION_ENERGY=0.0 79.9559 260.0 96.9601 180.0 148.0531 230.0 177.0856 370.0 205.1239 430.0 206.1213 230.0 220.1436 390.0 220.1897 130.0 221.1527 460.0 225.1862 100.0 386.2366 100.0 END IONS BEGIN IONS SCANS=11665 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11666 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11667 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11668 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11677 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8700.0 113.0547 190.0 113.0823 170.0 113.9936 250.0 116.9268 550.0 121.031 120.0 153.7821 120.0 161.0222 110.0 171.0245 250.0 177.0551 200.0 181.0474 220.0 200.0798 130.0 203.0829 130.0 224.0623 180.0 251.0593 120.0 273.9991 140.0 302.0862 230.0 312.228 140.0 319.3536 190.0 344.1125 150.0 364.2302 210.0 391.2244 140.0 391.2836 100.0 411.2326 210.0 446.2853 110.0 474.2625 190.0 487.268 170.0 499.2779 140.0 504.2976 270.0 514.2368 130.0 547.2924 120.0 575.3803 140.0 665.7266 300.0 END IONS BEGIN IONS SCANS=11830 PEPMASS=564.3299 CHARGE=-1 COLLISION_ENERGY=0.0 78.9582 390.0 152.9896 380.0 168.0421 140.0 224.0698 280.0 225.0764 170.0 242.0805 430.0 279.2342 4000.0 280.2407 640.0 281.2291 170.0 END IONS BEGIN IONS SCANS=11831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11899 PEPMASS=315.2522 CHARGE=-1 COLLISION_ENERGY=0.0 61.9889 110.0 127.1105 180.0 141.1217 280.0 174.5026 160.0 204.0246 110.0 215.9825 140.0 340.48 140.0 763.5083 100.0 END IONS BEGIN IONS SCANS=11900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11907 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279.2129 130.0 280.2357 120.0 297.2396 760.0 298.2578 230.0 299.2522 190.0 371.0649 150.0 392.1131 170.0 990.7837 290.0 END IONS BEGIN IONS SCANS=11939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11943 PEPMASS=845.4506 CHARGE=-1 COLLISION_ENERGY=0.0 89.0247 390.0 125.0167 140.0 125.0974 350.0 143.0352 120.0 169.0856 400.0 169.1278 170.0 179.0565 350.0 187.0961 2000.0 187.1549 210.0 188.0978 250.0 212.957 110.0 215.1665 110.0 221.0662 180.0 277.2222 310.0 338.0321 120.0 359.1229 130.0 395.1511 240.0 397.15 140.0 415.1446 110.0 567.2309 230.0 585.2437 690.0 586.2357 430.0 587.2441 140.0 654.174 170.0 665.3681 110.0 764.223 110.0 END IONS BEGIN IONS SCANS=11944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11945 PEPMASS=0.0 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73.0273 140.0 89.0301 120.0 117.0349 820.0 118.0469 250.0 145.028 10000.0 145.104 220.0 145.136 380.0 146.0341 890.0 152.0311 180.0 160.0129 160.0 161.087 140.0 163.0343 200.0 163.0391 810.0 207.1006 150.0 263.0686 140.0 285.2069 190.0 287.2173 1600.0 287.225 290.0 287.2821 160.0 299.0422 130.0 319.0877 190.0 344.0328 120.0 353.1763 220.0 367.2214 260.0 913.9364 170.0 END IONS BEGIN IONS SCANS=11959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11964 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11965 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11966 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11967 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11985 PEPMASS=549.2834 CHARGE=-1 COLLISION_ENERGY=0.0 513.2863 120.0 END IONS BEGIN IONS SCANS=11986 PEPMASS=559.3115 CHARGE=-1 COLLISION_ENERGY=0.0 71.0128 120.0 73.0324 290.0 84.0167 100.0 89.0252 210.0 90.0255 110.0 101.0254 330.0 119.0349 150.0 125.0926 170.0 138.068 130.0 141.0561 110.0 142.1913 110.0 151.1438 270.0 157.0541 180.0 161.0365 160.0 161.0413 180.0 175.08 100.0 188.6758 120.0 203.0308 230.0 235.0874 130.0 253.0937 1400.0 254.0985 380.0 277.2154 12000.0 277.3535 190.0 278.2187 3600.0 279.2176 390.0 358.1393 150.0 380.8095 110.0 513.2947 210.0 515.2561 110.0 END IONS BEGIN IONS SCANS=11987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11988 PEPMASS=591.3871 CHARGE=-1 COLLISION_ENERGY=0.0 78.9595 190.0 86.3237 120.0 89.0387 220.0 105.0357 140.0 117.0498 260.0 132.064 130.0 134.0383 560.0 135.0417 420.0 147.0387 200.0 152.9907 950.0 161.0229 11000.0 161.1061 260.0 161.1401 270.0 162.0242 1000.0 179.0349 360.0 222.9956 160.0 223.1268 160.0 224.9919 120.0 228.1957 140.0 234.0534 130.0 241.0158 120.0 265.1408 130.0 277.1993 240.0 277.2168 390.0 278.2171 130.0 279.231 190.0 295.2241 130.0 315.0429 100.0 325.1087 150.0 340.2089 190.0 355.3204 970.0 355.3366 190.0 357.4498 110.0 384.1133 170.0 412.3776 110.0 425.0614 120.0 431.341 160.0 432.3712 160.0 457.3327 140.0 499.3421 3300.0 500.3479 1800.0 501.3439 340.0 517.3488 1600.0 518.35 240.0 518.3675 390.0 547.7711 230.0 656.5266 140.0 END IONS BEGIN IONS SCANS=11989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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231.1679 110.0 235.077 380.0 253.0893 160.0 255.2316 2700.0 255.3792 190.0 256.2342 1000.0 277.0845 260.0 293.2152 160.0 380.1289 160.0 397.1341 140.0 END IONS BEGIN IONS SCANS=12044 PEPMASS=689.351 CHARGE=-1 COLLISION_ENERGY=0.0 85.0285 130.0 102.9545 230.0 119.0349 150.0 245.0764 110.0 307.1894 160.0 945.0286 140.0 END IONS BEGIN IONS SCANS=12045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12048 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12050 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12051 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=12053 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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250.0 152.0806 120.0 153.098 130.0 206.132 130.0 END IONS BEGIN IONS SCANS=1929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=1941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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153.012 110.0 390.1103 200.0 493.8274 130.0 END IONS BEGIN IONS SCANS=3371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3375 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3376 PEPMASS=188.036 CHARGE=-1 COLLISION_ENERGY=0.0 65.999 240.0 79.9573 140.0 115.0367 260.0 144.0524 370.0 748.0601 110.0 END IONS BEGIN IONS SCANS=3377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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159.9809 140.0 161.0782 450.0 167.3679 130.0 175.0406 160.0 203.0363 1100.0 203.1662 100.0 203.2005 110.0 203.3858 100.0 219.0309 1400.0 220.0373 130.0 229.0903 180.0 END IONS BEGIN IONS SCANS=3392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3394 PEPMASS=411.1323 CHARGE=-1 COLLISION_ENERGY=0.0 101.0218 660.0 101.0602 110.0 115.0411 100.0 132.9959 270.0 157.0307 240.0 160.9949 300.0 162.9961 160.0 174.0335 130.0 175.0429 840.0 176.0444 550.0 177.0476 130.0 191.0583 170.0 219.0306 4500.0 220.0279 520.0 220.206 110.0 221.0309 400.0 273.111 120.0 303.0487 110.0 317.0782 190.0 327.8071 130.0 460.1579 100.0 END IONS BEGIN IONS SCANS=3395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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160.0 161.0213 3900.0 161.0571 130.0 161.0653 170.0 161.606 110.0 162.0195 140.0 179.0327 1500.0 179.0683 170.0 180.0344 290.0 181.0378 110.0 191.0512 500.0 192.0467 170.0 192.0581 320.0 217.0506 120.0 226.8225 130.0 END IONS BEGIN IONS SCANS=3430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3440 PEPMASS=363.1461 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85.03 700.0 86.0297 130.0 87.0094 120.0 93.0328 380.0 93.0586 110.0 101.0284 120.0 127.0373 370.0 130.0183 230.0 136.0436 130.0 154.0083 100.0 163.0383 140.0 172.0249 140.0 173.0368 160.0 191.0532 8800.0 191.7568 100.0 192.0563 980.0 192.1877 210.0 193.053 110.0 291.0727 120.0 776.9301 190.0 END IONS BEGIN IONS SCANS=3471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3480 PEPMASS=0.0 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IONS SCANS=3586 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3587 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3594 PEPMASS=167.0344 CHARGE=-1 COLLISION_ENERGY=0.0 91.0248 160.0 107.017 150.0 108.0228 570.0 820.0131 130.0 END IONS BEGIN IONS SCANS=3595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3597 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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130.0 211.0372 220.0 225.0555 210.0 239.0701 280.0 287.0947 280.0 358.0518 100.0 END IONS BEGIN IONS SCANS=3607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3609 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3617 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3618 PEPMASS=617.1966 CHARGE=-1 COLLISION_ENERGY=0.0 71.0129 160.0 89.0243 310.0 119.0349 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210.0 373.1431 140.0 375.0845 190.0 459.1387 120.0 983.5798 110.0 END IONS BEGIN IONS SCANS=3625 PEPMASS=371.0768 CHARGE=-1 COLLISION_ENERGY=0.0 74.0254 110.0 97.0625 100.0 109.031 820.0 128.0325 410.0 142.8697 180.0 145.0335 140.0 157.0266 320.0 158.0344 490.0 159.0422 240.0 173.0329 200.0 198.0245 170.0 225.0494 250.0 239.0709 130.0 246.0152 120.0 249.0563 180.0 253.0407 170.0 254.0486 200.0 267.0703 240.0 268.0673 220.0 293.0389 110.0 END IONS BEGIN IONS SCANS=3626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3633 PEPMASS=0.0 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CHARGE=-1 COLLISION_ENERGY=0.0 108.0188 160.0 143.7012 240.0 END IONS BEGIN IONS SCANS=3719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3722 PEPMASS=537.2083 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 540.0 101.024 180.0 109.0275 270.0 123.0424 340.0 134.0372 530.0 135.045 730.0 135.0825 150.0 136.0461 150.0 136.3579 120.0 149.0575 130.0 176.5558 140.0 179.0357 440.0 197.0444 210.0 198.0406 160.0 211.1225 110.0 227.119 110.0 236.0429 130.0 267.063 730.0 269.0741 350.0 270.0904 160.0 277.0512 390.0 277.1112 120.0 293.0446 200.0 295.0613 590.0 296.0629 180.0 309.0486 130.0 315.1104 110.0 339.0413 340.0 347.1807 100.0 END IONS BEGIN IONS SCANS=3723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3725 PEPMASS=547.2393 CHARGE=-1 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61.9894 110.0 113.0211 200.0 184.8718 220.0 279.0542 140.0 314.1134 160.0 327.1533 260.0 329.1284 100.0 330.124 140.0 341.1221 180.0 END IONS BEGIN IONS SCANS=3747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3754 PEPMASS=569.2347 CHARGE=-1 COLLISION_ENERGY=0.0 89.0258 210.0 101.0224 180.0 114.0231 110.0 115.0291 110.0 143.0294 220.0 144.0681 180.0 179.0365 130.0 196.0384 110.0 217.0486 210.0 371.1976 170.0 END IONS BEGIN IONS SCANS=3755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3756 PEPMASS=0.0 CHARGE=1 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281.0312 110.0 326.0831 130.0 369.1485 330.0 370.1573 110.0 END IONS BEGIN IONS SCANS=3941 PEPMASS=525.102 CHARGE=-1 COLLISION_ENERGY=0.0 72.9915 260.0 109.0261 280.0 135.0421 550.0 173.0218 290.0 174.0396 240.0 186.0206 190.0 191.03 130.0 212.0353 150.0 240.0466 170.0 255.0627 300.0 256.0763 270.0 264.0394 170.0 265.0491 190.0 267.0658 180.0 279.0514 250.0 282.0493 140.0 283.0612 1000.0 283.1248 150.0 284.0632 220.0 287.442 110.0 296.0693 110.0 402.1132 150.0 428.0562 260.0 END IONS BEGIN IONS SCANS=3942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3945 PEPMASS=395.1379 CHARGE=-1 COLLISION_ENERGY=0.0 76.9683 190.0 80.965 250.0 93.0343 240.0 99.0415 180.0 117.0506 190.0 134.977 150.0 153.0856 130.0 157.0322 390.0 159.0079 220.0 159.0498 120.0 159.2487 100.0 160.0074 130.0 161.0818 190.0 173.0359 110.0 174.0219 260.0 175.0398 430.0 175.0833 190.0 176.0436 290.0 178.0361 110.0 191.0412 160.0 202.0859 110.0 203.0345 1700.0 204.0311 170.0 219.0285 980.0 220.0391 190.0 257.1191 300.0 259.1166 160.0 261.1056 120.0 273.1085 240.0 275.0872 100.0 301.1013 290.0 END IONS BEGIN IONS SCANS=3946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3953 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=3955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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SCANS=4018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4019 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4020 PEPMASS=617.2006 CHARGE=-1 COLLISION_ENERGY=0.0 89.0259 220.0 101.0212 190.0 135.0464 120.0 225.0064 120.0 242.9862 180.0 263.109 260.0 277.8239 160.0 278.8597 110.0 287.905 180.0 305.0207 110.0 306.0228 160.0 333.0324 150.0 335.0606 300.0 349.0093 100.0 372.1594 130.0 383.0382 110.0 401.1652 110.0 402.9443 150.0 403.0012 160.0 404.1802 110.0 469.0758 260.0 473.664 270.0 END IONS BEGIN IONS SCANS=4021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4022 PEPMASS=651.1094 CHARGE=-1 COLLISION_ENERGY=0.0 82.2731 110.0 116.9251 240.0 196.0469 210.0 214.0705 110.0 221.8119 100.0 270.0454 130.0 283.0262 110.0 284.0309 130.0 285.0392 9800.0 285.1777 200.0 285.1959 200.0 285.3093 120.0 285.6289 170.0 285.8403 110.0 286.0439 2100.0 286.1367 150.0 286.1543 160.0 287.0417 410.0 288.0415 120.0 303.0138 100.0 311.0619 120.0 319.0473 130.0 587.3142 130.0 593.1531 2200.0 594.1533 140.0 594.1658 270.0 595.1481 380.0 615.1241 180.0 END IONS BEGIN IONS SCANS=4023 PEPMASS=661.1367 CHARGE=-1 COLLISION_ENERGY=0.0 60.02 120.0 151.9992 110.0 159.1656 190.0 198.0328 160.0 285.0391 3200.0 285.1442 180.0 285.1879 130.0 286.0492 490.0 325.018 260.0 367.0397 150.0 391.0294 120.0 395.0465 190.0 405.5583 150.0 416.2156 100.0 528.0252 100.0 573.294 260.0 593.1596 360.0 594.1453 390.0 615.1186 150.0 617.1349 120.0 END IONS BEGIN IONS SCANS=4024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4027 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4029 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4030 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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230.0 148.5875 130.0 149.0144 150.0 162.0374 110.0 163.0346 160.0 164.0144 160.0 177.995 120.0 179.0083 120.0 180.9918 290.0 189.0552 160.0 190.0115 150.0 206.0152 150.0 208.0067 120.0 221.0209 280.0 222.023 100.0 244.2561 110.0 END IONS BEGIN IONS SCANS=4043 PEPMASS=721.1942 CHARGE=-1 COLLISION_ENERGY=0.0 71.0154 130.0 90.0292 150.0 103.0433 120.0 231.0245 170.0 233.0834 160.0 259.024 320.0 267.0661 130.0 303.0477 220.0 309.077 200.0 310.0903 210.0 321.0282 120.0 325.0986 260.0 337.0675 240.0 353.0757 240.0 367.0458 170.0 371.1101 220.0 371.6488 120.0 397.0871 220.0 482.1098 190.0 497.145 180.0 513.1398 100.0 581.0706 100.0 612.9195 120.0 706.164 240.0 721.1886 110.0 776.2213 110.0 END IONS BEGIN IONS SCANS=4044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN 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225.058 110.0 260.3178 100.0 284.3681 110.0 287.0928 310.0 289.0661 120.0 301.105 130.0 END IONS BEGIN IONS SCANS=4059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4060 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4067 PEPMASS=405.1654 CHARGE=-1 COLLISION_ENERGY=0.0 67.0278 150.0 69.0357 160.0 82.0297 190.0 97.001 280.0 97.0286 100.0 108.0459 170.0 119.0452 170.0 124.086 150.0 131.0362 130.0 135.0423 310.0 150.0287 170.0 189.0537 130.0 217.9819 130.0 223.2624 170.0 242.905 230.0 244.0595 190.0 249.062 130.0 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300.1872 140.0 301.0334 4000.0 301.1907 110.0 301.2061 100.0 302.0337 660.0 302.0407 210.0 302.2085 100.0 302.4279 110.0 315.0503 130.0 335.0494 130.0 341.0084 240.0 343.039 180.0 373.9978 130.0 377.0194 100.0 382.0221 110.0 383.0163 100.0 385.0334 120.0 395.0175 120.0 433.1622 180.0 553.0281 170.0 580.1287 130.0 591.2489 110.0 609.1344 980.0 609.1494 620.0 609.2415 110.0 610.1382 660.0 610.1581 250.0 611.1361 110.0 624.194 100.0 END IONS BEGIN IONS SCANS=4294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4296 PEPMASS=591.1354 CHARGE=-1 COLLISION_ENERGY=0.0 63.0255 1100.0 65.0072 610.0 71.4663 110.0 73.031 500.0 77.0381 100.0 82.008 220.0 83.0126 480.0 83.0442 100.0 84.0196 160.0 87.0484 120.0 87.494 200.0 95.0162 330.0 95.5342 120.0 100.5413 110.0 104.0246 160.0 105.0333 670.0 105.8145 110.0 107.0152 1500.0 107.0442 120.0 108.0229 200.0 108.9878 120.0 109.0324 720.0 110.4887 110.0 111.0142 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674.6117 120.0 684.8818 120.0 685.0558 120.0 687.5915 110.0 702.3217 100.0 706.5446 120.0 745.2362 130.0 751.8862 130.0 756.8963 120.0 761.0534 100.0 871.3192 110.0 877.0309 160.0 885.1292 130.0 908.5988 170.0 915.7089 180.0 950.2557 110.0 965.3341 150.0 977.5292 150.0 END IONS BEGIN IONS SCANS=4297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4299 PEPMASS=589.1848 CHARGE=-1 COLLISION_ENERGY=0.0 90.0302 120.0 150.0361 190.0 172.0479 120.0 179.0538 200.0 279.0551 160.0 341.1281 120.0 363.0828 110.0 367.0367 140.0 371.1388 180.0 374.4686 130.0 412.9705 120.0 431.1239 240.0 499.0133 110.0 521.2 200.0 543.1817 160.0 548.9713 170.0 551.2022 150.0 552.205 110.0 553.2253 130.0 558.1828 100.0 589.1844 130.0 590.2061 130.0 591.1861 160.0 END IONS BEGIN IONS SCANS=4300 PEPMASS=551.2103 CHARGE=-1 COLLISION_ENERGY=0.0 71.0131 270.0 89.027 170.0 101.0225 230.0 113.0231 120.0 113.2094 110.0 119.0341 270.0 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225.0719 110.0 235.0369 170.0 236.0373 170.0 237.0534 410.0 248.0536 110.0 249.044 160.0 264.0408 410.0 265.0477 1300.0 266.0523 660.0 266.1067 170.0 267.0629 870.0 279.0135 180.0 280.0222 130.0 281.0441 1000.0 282.0518 280.0 282.4163 120.0 309.0393 440.0 310.0374 230.0 311.055 570.0 312.0576 250.0 END IONS BEGIN IONS SCANS=4397 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4406 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268.0621 270.0 294.0408 110.0 311.0494 1800.0 312.0579 320.0 312.0682 120.0 END IONS BEGIN IONS SCANS=4411 PEPMASS=537.1022 CHARGE=-1 COLLISION_ENERGY=0.0 72.9951 690.0 111.0448 160.0 123.043 270.0 135.0428 1900.0 159.0443 460.0 159.0832 100.0 164.0451 160.0 176.0451 170.0 179.0324 860.0 180.0336 170.0 197.0436 690.0 203.0328 150.0 229.0149 160.0 231.0069 130.0 240.0394 190.0 243.1245 200.0 266.0536 160.0 267.0648 980.0 268.0751 120.0 269.0796 390.0 270.0835 130.0 277.0535 140.0 278.0525 120.0 293.0385 200.0 295.0573 500.0 295.113 130.0 313.0603 120.0 339.0459 130.0 END IONS BEGIN IONS SCANS=4412 PEPMASS=635.0697 CHARGE=-1 COLLISION_ENERGY=0.0 72.9948 220.0 79.9563 260.0 96.96 9500.0 97.013 150.0 97.0507 210.0 97.1012 120.0 98.9539 410.0 123.0484 140.0 135.0424 340.0 142.8742 150.0 158.034 110.0 159.0467 120.0 181.0481 120.0 190.9449 160.0 197.0466 190.0 197.0569 170.0 219.0248 180.0 229.0074 310.0 229.023 130.0 231.0153 240.0 269.0894 100.0 295.0575 460.0 295.0684 190.0 303.1088 140.0 311.0541 140.0 313.0676 400.0 335.0534 470.0 339.0388 230.0 339.0581 330.0 339.0663 170.0 364.0016 110.0 365.9834 430.0 368.5182 140.0 396.9773 240.0 405.9568 150.0 411.1383 100.0 414.0158 170.0 443.035 150.0 447.1511 190.0 450.0155 150.0 470.0077 220.0 472.0317 200.0 484.9075 100.0 489.0205 160.0 511.0599 100.0 518.1872 140.0 549.9701 150.0 567.4552 140.0 591.0215 120.0 634.9763 110.0 635.0695 240.0 650.4159 110.0 792.1013 140.0 946.0648 100.0 END IONS BEGIN IONS SCANS=4413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4420 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1200.0 113.0261 480.0 113.0454 170.0 113.0518 150.0 125.0181 130.0 132.0146 270.0 133.0284 1600.0 135.0425 1600.0 136.0485 240.0 150.9967 110.0 151.0033 150.0 151.0319 130.0 161.0226 16000.0 161.1055 330.0 161.138 250.0 161.1691 150.0 161.461 110.0 162.0254 1500.0 163.0363 120.0 179.0048 100.0 179.0331 130.0 179.0422 270.0 180.0293 130.0 207.1006 130.0 240.927 120.0 271.0179 180.0 285.0432 250.0 288.008 180.0 291.0843 110.0 295.5592 200.0 297.0063 320.0 297.085 200.0 311.0517 250.0 315.0192 100.0 315.1035 140.0 315.1109 110.0 316.0226 180.0 357.0118 140.0 378.055 110.0 403.0034 160.0 449.0376 210.0 461.1629 1700.0 461.1704 240.0 461.2312 100.0 461.245 150.0 462.164 240.0 462.1803 290.0 463.1493 160.0 472.9777 150.0 498.2295 170.0 517.0583 170.0 537.0826 130.0 579.0469 110.0 623.1262 120.0 623.1986 6400.0 623.3143 340.0 623.3646 260.0 623.4256 170.0 623.5108 100.0 623.6013 110.0 624.1923 1600.0 624.2075 1400.0 624.351 130.0 624.8125 150.0 624.8668 110.0 625.1944 1200.0 626.1692 170.0 626.1969 170.0 985.4486 110.0 END IONS BEGIN IONS SCANS=4450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4477 PEPMASS=521.2002 CHARGE=-1 COLLISION_ENERGY=0.0 60.013 120.0 71.0137 670.0 72.9963 120.0 86.904 110.0 89.0244 2200.0 89.0536 220.0 95.0092 160.0 101.0228 430.0 113.0255 200.0 119.0299 360.0 120.0313 120.0 143.0336 260.0 149.0389 210.0 157.0682 110.0 161.0419 540.0 179.048 290.0 205.0894 150.0 236.1264 130.0 253.0518 120.0 266.0474 120.0 267.0594 160.0 281.0705 130.0 283.0832 120.0 309.0283 120.0 322.0372 170.0 329.1269 150.0 341.1312 440.0 341.1959 120.0 342.0947 110.0 343.1606 120.0 432.6967 120.0 491.1669 180.0 521.1531 200.0 522.0872 130.0 523.219 210.0 524.2062 140.0 525.2495 120.0 END IONS BEGIN IONS SCANS=4478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4482 PEPMASS=0.0 CHARGE=1 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END IONS BEGIN IONS SCANS=4491 PEPMASS=651.1062 CHARGE=-1 COLLISION_ENERGY=0.0 142.9672 110.0 196.9701 150.0 267.0658 140.0 285.0391 5800.0 285.5853 100.0 286.0393 1100.0 367.0313 170.0 410.0487 180.0 426.0907 130.0 559.1891 120.0 593.1514 1600.0 594.1479 550.0 595.9724 120.0 596.1548 150.0 END IONS BEGIN IONS SCANS=4492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4499 PEPMASS=557.1764 CHARGE=-1 COLLISION_ENERGY=0.0 135.0432 140.0 161.054 140.0 179.0367 220.0 241.1089 100.0 266.0493 180.0 291.0653 260.0 297.0864 120.0 335.0447 160.0 336.0542 110.0 360.0878 150.0 END IONS BEGIN IONS SCANS=4500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4526 PEPMASS=609.1434 CHARGE=-1 COLLISION_ENERGY=0.0 63.0262 150.0 87.0045 150.0 89.0273 540.0 97.0265 260.0 107.0162 200.0 108.0177 100.0 111.0149 100.0 118.8975 130.0 121.0303 220.0 136.0195 160.0 148.0173 110.0 151.0004 1900.0 151.0316 430.0 151.0414 130.0 151.0546 110.0 151.9999 220.0 159.0432 210.0 161.0866 100.0 163.0026 820.0 163.0376 190.0 175.0026 100.0 178.9953 500.0 179.0005 120.0 188.0391 250.0 190.0202 110.0 190.9982 200.0 191.0262 270.0 191.0355 230.0 191.9612 110.0 192.0046 180.0 197.0483 120.0 199.0378 210.0 211.0201 120.0 211.0363 110.0 221.0379 120.0 226.0228 150.0 227.0314 440.0 233.04 200.0 243.0288 540.0 245.0426 130.0 255.0261 1400.0 255.0342 1000.0 255.3741 100.0 256.0294 470.0 257.0469 210.0 267.0697 120.0 271.021 6200.0 271.1041 140.0 271.1711 110.0 271.5331 110.0 272.0277 1500.0 272.0727 100.0 273.0204 100.0 273.0354 130.0 274.035 210.0 297.7095 100.0 298.0471 110.0 298.9918 160.0 299.0084 140.0 299.0415 160.0 300.0248 39000.0 300.1825 1600.0 300.8033 120.0 300.8558 110.0 300.9482 110.0 301.0327 19000.0 301.1894 330.0 301.681 140.0 301.7781 140.0 302.0357 3500.0 302.1024 150.0 302.1579 100.0 302.2359 100.0 302.2709 130.0 302.8946 120.0 303.0338 700.0 303.0872 140.0 304.0358 140.0 309.0272 220.0 315.0494 160.0 343.0421 150.0 344.0286 100.0 344.0496 120.0 351.018 230.0 426.0409 180.0 483.3163 260.0 501.0386 260.0 503.0176 110.0 560.0843 210.0 609.1432 960.0 609.1578 350.0 609.2049 110.0 609.2297 120.0 610.1405 840.0 738.048 140.0 END IONS BEGIN IONS SCANS=4527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4531 PEPMASS=181.0122 CHARGE=-1 COLLISION_ENERGY=0.0 65.0408 430.0 75.0241 110.0 88.6912 150.0 92.9932 270.0 93.0339 4500.0 93.082 160.0 94.0392 420.0 94.9204 110.0 129.7347 280.0 136.9188 200.0 169.0199 140.0 323.0813 150.0 END IONS BEGIN IONS SCANS=4532 PEPMASS=350.1227 CHARGE=-1 COLLISION_ENERGY=0.0 74.027 860.0 79.0637 120.0 88.0398 320.0 100.009 200.0 112.9082 130.0 117.0332 250.0 119.0487 340.0 121.0691 160.0 128.0714 120.0 145.0233 210.0 223.1789 140.0 END IONS BEGIN IONS SCANS=4533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4536 PEPMASS=607.1272 CHARGE=-1 COLLISION_ENERGY=0.0 63.0224 420.0 63.0271 140.0 65.003 1400.0 81.0361 180.0 83.0121 420.0 84.9917 150.0 89.0372 150.0 91.0172 180.0 102.2896 170.0 107.0148 2200.0 108.0183 710.0 108.0586 140.0 109.0289 710.0 119.0209 190.0 121.0273 2100.0 121.1259 100.0 122.0316 110.0 125.0238 850.0 126.0291 200.0 135.0068 960.0 135.0375 140.0 136.0131 260.0 136.6267 240.0 139.0412 130.0 143.0408 120.0 148.0159 200.0 149.0143 120.0 149.0253 300.0 149.6766 150.0 149.9926 130.0 150.0294 320.0 151.0013 23000.0 151.1129 140.0 151.5783 150.0 151.6784 160.0 151.8042 100.0 152.0074 1600.0 152.1173 150.0 152.1506 100.0 152.3384 120.0 153.0171 270.0 153.023 160.0 154.3605 140.0 156.0521 160.0 156.5595 230.0 159.0481 210.0 159.2956 170.0 160.8977 110.0 161.0205 310.0 161.0613 240.0 162.024 250.0 163.0019 2300.0 163.0324 870.0 163.1153 230.0 163.158 170.0 164.0091 370.0 165.0312 150.0 169.0174 220.0 169.0222 300.0 169.1043 130.0 171.0524 170.0 172.047 230.0 174.034 260.0 177.0151 330.0 178.9962 21000.0 179.0621 200.0 179.1123 160.0 179.5804 110.0 179.999 1200.0 180.0409 150.0 180.0518 140.0 183.0399 310.0 183.0453 180.0 185.0512 110.0 186.0291 270.0 187.0374 570.0 188.045 130.0 189.0146 230.0 189.0188 140.0 189.0449 120.0 189.0854 100.0 190.0246 1400.0 190.0879 110.0 190.9956 390.0 191.0304 940.0 191.0906 150.0 192.0041 490.0 193.0089 210.0 193.0155 910.0 194.0084 100.0 195.0393 130.0 198.3897 200.0 199.0359 440.0 199.0412 110.0 201.0211 380.0 201.0601 440.0 203.026 130.0 203.0319 780.0 204.0462 160.0 205.0431 400.0 206.0152 290.0 206.0531 110.0 207.0253 630.0 209.0089 140.0 211.0349 880.0 211.0455 110.0 211.6653 140.0 212.0391 300.0 213.0108 280.0 213.7261 220.0 214.0229 250.0 214.029 170.0 215.0334 460.0 215.039 270.0 216.0403 340.0 217.0009 330.0 217.0084 250.0 217.0318 170.0 219.0188 120.0 219.0318 240.0 221.0463 250.0 223.4954 140.0 226.0187 240.0 226.0255 1200.0 226.126 130.0 227.0309 1900.0 227.1505 120.0 227.9904 130.0 228.0439 540.0 229.0467 1000.0 229.0846 260.0 229.1218 140.0 230.0148 140.0 230.0218 230.0 231.0387 160.0 233.0427 410.0 235.028 140.0 239.0312 640.0 239.0449 110.0 240.0405 300.0 240.0469 160.0 241.0105 270.0 241.0702 150.0 242.0171 600.0 243.0256 7800.0 243.1664 360.0 243.2056 180.0 243.6729 220.0 243.7688 120.0 244.0357 950.0 244.0953 220.0 244.2191 130.0 245.0438 1100.0 246.0207 130.0 246.5939 140.0 249.6251 150.0 254.0203 3000.0 254.111 180.0 254.1672 120.0 254.2065 120.0 254.2988 110.0 254.6092 100.0 254.8943 140.0 255.0277 29000.0 255.1707 200.0 255.8793 130.0 256.0296 4400.0 256.1041 550.0 256.1766 250.0 256.2359 180.0 256.3685 140.0 256.6281 110.0 256.6785 110.0 256.7401 150.0 256.8535 160.0 257.0431 870.0 257.1499 170.0 257.3178 130.0 258.0394 110.0 259.0309 140.0 260.5754 110.0 265.0046 120.0 266.0156 230.0 266.1317 110.0 268.4954 100.0 269.0345 210.0 269.7342 120.0 270.0145 1400.0 270.159 100.0 270.9152 130.0 271.0221 58000.0 271.1304 270.0 271.1769 250.0 271.2201 150.0 271.309 120.0 271.8304 220.0 272.0276 12000.0 272.5849 120.0 272.6945 130.0 272.7556 120.0 272.8787 150.0 273.0376 4200.0 273.2071 300.0 273.3601 130.0 273.5233 100.0 273.8041 110.0 274.0438 680.0 274.1402 140.0 274.2224 120.0 274.3585 130.0 274.7677 110.0 275.0422 180.0 275.4576 110.0 276.2328 110.0 276.456 110.0 281.0395 180.0 281.0481 160.0 282.0196 200.0 283.0212 2200.0 283.1253 150.0 284.0285 250.0 284.8714 110.0 285.0332 190.0 285.0394 350.0 287.8892 120.0 290.4704 100.0 293.0412 120.0 294.0405 100.0 295.0045 120.0 296.0261 100.0 296.038 110.0 296.6626 120.0 296.718 140.0 296.9134 280.0 297.0318 260.0 297.0411 610.0 297.0639 120.0 297.1023 310.0 297.2836 280.0 297.3616 170.0 297.4556 200.0 297.5403 320.0 297.6157 330.0 297.6696 250.0 297.7145 270.0 297.7711 220.0 297.8413 200.0 297.9762 110.0 298.0006 630.0 298.1558 500.0 298.1935 130.0 298.2425 240.0 298.2888 200.0 298.3641 200.0 298.4031 280.0 298.4449 190.0 298.476 250.0 298.5275 200.0 298.5594 130.0 298.6041 220.0 298.7525 330.0 298.8721 250.0 298.9285 450.0 299.0179 4300.0 299.1061 150.0 299.183 160.0 299.2022 320.0 299.2609 110.0 299.2833 190.0 299.3619 220.0 299.3864 140.0 299.4751 400.0 299.5327 290.0 299.573 140.0 299.5878 180.0 299.6271 160.0 299.7663 260.0 300.0243 490000.0 300.18 25000.0 300.8697 590.0 301.0314 270000.0 301.9051 150.0 302.0358 32000.0 302.4545 110.0 302.5727 170.0 302.6836 210.0 302.7528 470.0 302.8222 160.0 302.8488 180.0 302.9285 150.0 303.0365 2500.0 303.097 390.0 303.1245 220.0 303.1438 340.0 303.1943 290.0 303.2254 170.0 303.2585 180.0 303.3545 120.0 303.4043 140.0 303.4104 300.0 303.5166 240.0 303.5348 140.0 303.6089 120.0 303.689 310.0 303.7209 100.0 303.7547 160.0 303.8902 150.0 303.9117 130.0 304.0847 230.0 304.1041 110.0 304.2344 110.0 304.3708 190.0 304.5145 100.0 304.627 130.0 304.7214 150.0 304.7841 140.0 304.856 100.0 304.9481 110.0 305.006 160.0 305.1459 190.0 305.3732 100.0 305.57 120.0 305.8274 200.0 305.8358 190.0 305.9707 180.0 306.1211 120.0 306.2012 140.0 306.2485 120.0 306.284 150.0 306.3962 120.0 306.6668 130.0 306.8466 220.0 307.0386 130.0 307.1387 130.0 307.1958 130.0 307.2787 120.0 307.3161 120.0 307.3996 160.0 307.5137 150.0 307.5289 130.0 307.6408 110.0 307.7086 140.0 307.793 120.0 308.0556 120.0 308.3044 110.0 308.4115 210.0 308.4993 140.0 308.6896 130.0 309.3126 130.0 310.1688 140.0 310.3331 120.0 310.5279 230.0 310.8598 100.0 311.0055 170.0 311.0247 160.0 311.0843 130.0 311.3514 110.0 312.017 180.0 312.7945 140.0 313.0307 1800.0 313.1784 120.0 313.3017 100.0 313.6552 110.0 314.0291 180.0 314.0481 250.0 314.4759 120.0 315.0406 310.0 315.0607 160.0 315.2516 110.0 315.4752 140.0 316.9036 140.0 317.7436 120.0 323.0565 160.0 325.0275 100.0 325.0405 140.0 326.0397 290.0 327.0366 100.0 330.2794 110.0 338.4578 110.0 339.7526 110.0 341.0606 120.0 343.0429 5100.0 343.2079 270.0 343.4744 110.0 344.045 950.0 344.1942 140.0 347.0734 160.0 349.0222 130.0 353.027 240.0 355.0386 590.0 355.0857 190.0 362.1754 120.0 364.157 110.0 367.0295 100.0 373.0379 110.0 373.0559 190.0 381.1196 120.0 393.0885 140.0 401.0265 120.0 414.1808 160.0 422.8211 170.0 426.4386 120.0 427.1209 120.0 439.1141 140.0 446.1809 160.0 457.1298 560.0 457.1828 100.0 463.0817 620.0 464.0739 260.0 464.0897 140.0 465.1122 170.0 466.0703 120.0 473.1256 190.0 482.1287 110.0 483.1115 210.0 488.4574 110.0 495.9079 100.0 499.1345 170.0 521.201 170.0 547.1251 160.0 565.164 210.0 591.1241 610.0 591.1371 590.0 592.1407 100.0 593.1023 130.0 600.9005 110.0 602.2069 120.0 602.348 220.0 602.4074 110.0 602.5114 380.0 602.8705 510.0 603.0673 360.0 603.3138 540.0 603.5305 410.0 603.8044 390.0 603.9997 270.0 604.1417 430.0 604.2012 250.0 604.2561 190.0 604.3805 310.0 604.5 210.0 604.6642 230.0 604.8846 190.0 604.9521 170.0 605.0828 250.0 605.314 210.0 605.5361 110.0 605.7697 200.0 605.9653 190.0 606.17 240.0 606.3289 320.0 606.4486 140.0 606.54 150.0 607.1237 2000.0 607.2972 350.0 607.3844 300.0 607.488 200.0 607.8132 310.0 607.9849 370.0 608.1451 840.0 608.3304 210.0 608.4315 260.0 609.1397 540000.0 610.1448 150000.0 610.3599 310.0 610.4294 150.0 610.5426 140.0 610.7397 130.0 611.1485 12000.0 611.2409 210.0 611.3574 110.0 611.3703 780.0 611.5002 480.0 611.5458 110.0 611.5933 490.0 611.6654 340.0 611.7968 520.0 611.9101 350.0 611.9638 410.0 612.1507 530.0 612.3192 300.0 612.3882 180.0 612.5415 180.0 612.6677 350.0 612.734 290.0 612.8499 240.0 613.0199 260.0 613.1723 230.0 613.3029 190.0 613.4285 120.0 613.4581 330.0 613.7096 490.0 614.0717 280.0 614.2947 250.0 614.3999 150.0 614.5395 130.0 614.8001 110.0 614.8956 260.0 615.2676 140.0 615.3906 210.0 615.5585 120.0 615.7091 250.0 615.7886 220.0 615.8461 150.0 615.9624 190.0 616.135 210.0 616.2968 190.0 616.4983 310.0 616.6501 220.0 616.8009 270.0 617.1721 280.0 617.5084 190.0 617.6308 130.0 617.7126 120.0 617.8337 100.0 618.0611 320.0 618.2165 170.0 618.3385 110.0 618.4075 170.0 618.5135 210.0 618.7144 100.0 618.8588 160.0 619.0075 140.0 619.2268 170.0 619.4917 110.0 619.8509 150.0 620.0004 140.0 620.1165 120.0 620.3214 170.0 620.6447 140.0 620.7975 140.0 620.8932 110.0 621.0021 110.0 621.1771 110.0 621.2815 130.0 621.4912 190.0 621.7148 120.0 622.2977 130.0 622.4206 150.0 622.5342 120.0 622.6414 210.0 622.7148 120.0 622.7832 120.0 622.8014 150.0 623.0238 130.0 623.2193 110.0 623.4523 140.0 623.9641 100.0 624.4212 140.0 624.8707 150.0 625.2747 150.0 625.6701 110.0 625.7653 150.0 626.031 150.0 626.696 110.0 627.1004 110.0 627.3438 120.0 628.9675 110.0 629.0347 100.0 630.5042 100.0 631.1757 100.0 632.119 130.0 633.7302 130.0 635.219 110.0 638.1592 120.0 639.5186 120.0 643.7613 110.0 684.8121 130.0 714.7731 110.0 760.0988 110.0 805.0617 100.0 959.4176 260.0 END IONS BEGIN IONS SCANS=4537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4551 PEPMASS=609.1436 CHARGE=-1 COLLISION_ENERGY=0.0 89.0258 270.0 89.0508 110.0 94.9207 140.0 96.9645 170.0 137.6345 120.0 156.0233 110.0 162.8326 120.0 166.8295 150.0 208.9383 160.0 261.0326 110.0 271.0163 110.0 300.0259 280.0 301.0372 290.0 306.103 230.0 338.0626 150.0 343.0533 140.0 384.9855 190.0 390.1459 100.0 425.9499 280.0 455.0058 120.0 514.9521 190.0 531.0648 130.0 531.1492 110.0 543.0215 110.0 557.673 100.0 573.9436 130.0 575.1046 100.0 609.1456 1900.0 609.2826 140.0 609.3508 100.0 609.4274 120.0 610.1473 730.0 610.2864 100.0 610.4422 110.0 610.9498 120.0 611.1628 250.0 END IONS BEGIN IONS SCANS=4552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4557 PEPMASS=677.1269 CHARGE=-1 COLLISION_ENERGY=0.0 88.992 110.0 150.9987 530.0 167.0263 150.0 227.0461 170.0 271.0276 280.0 272.0198 180.0 281.9561 180.0 300.023 5200.0 300.1651 120.0 300.2324 120.0 301.031 3700.0 301.1136 180.0 301.1547 130.0 301.8669 160.0 302.0271 530.0 302.0362 300.0 323.0137 140.0 341.006 120.0 341.0135 220.0 343.015 120.0 368.0184 210.0 384.0121 200.0 395.0136 140.0 395.0349 210.0 409.0298 100.0 424.0508 130.0 609.1386 1500.0 609.2182 100.0 610.1461 530.0 640.2324 190.0 823.8788 130.0 END IONS BEGIN IONS SCANS=4558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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PEPMASS=369.1451 CHARGE=-1 COLLISION_ENERGY=0.0 135.0451 2100.0 135.1501 180.0 161.0189 220.0 174.9546 130.0 177.1038 130.0 207.1138 430.0 233.0891 720.0 234.0981 110.0 249.1271 790.0 250.1209 200.0 275.1042 230.0 283.807 110.0 313.1538 250.0 369.1468 120.0 370.147 180.0 371.0649 100.0 END IONS BEGIN IONS SCANS=4648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4652 PEPMASS=261.133 CHARGE=-1 COLLISION_ENERGY=0.0 78.962 140.0 97.0666 180.0 118.9526 100.0 123.0816 390.0 167.8581 110.0 170.8655 120.0 END IONS BEGIN IONS SCANS=4653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4656 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230.0 233.0391 130.0 235.0353 120.0 256.0272 100.0 267.0504 170.0 270.1058 110.0 281.0454 130.0 282.0765 110.0 283.0526 100.0 284.0331 3600.0 285.039 12000.0 285.1377 230.0 285.144 230.0 285.2157 170.0 285.2275 120.0 285.2854 110.0 286.0389 580.0 286.0462 1300.0 286.1075 190.0 287.0405 390.0 287.0504 140.0 288.5714 100.0 299.0462 140.0 301.0757 120.0 313.6102 130.0 327.0492 230.0 327.0702 170.0 330.1085 120.0 342.9862 170.0 385.1806 100.0 396.0806 260.0 442.9209 120.0 447.0909 1400.0 448.1017 330.0 END IONS BEGIN IONS SCANS=4688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4690 PEPMASS=369.1444 CHARGE=-1 COLLISION_ENERGY=0.0 93.0356 500.0 93.0652 100.0 106.0462 140.0 132.0253 120.0 135.0435 3600.0 135.1514 250.0 136.0471 400.0 148.0425 120.0 165.0652 150.0 207.1128 410.0 226.8454 120.0 235.8537 170.0 237.0548 230.0 249.1244 380.0 250.1239 190.0 263.0418 110.0 266.0773 150.0 275.0904 100.0 295.3127 110.0 609.7222 120.0 END IONS BEGIN IONS SCANS=4691 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4701 PEPMASS=555.163 CHARGE=-1 COLLISION_ENERGY=0.0 161.0282 150.0 335.0628 160.0 359.0567 120.0 376.0855 130.0 451.1138 130.0 491.1714 160.0 503.1777 240.0 521.1196 200.0 555.1543 110.0 557.1702 160.0 817.0735 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615.1416 180.0 615.2804 580.0 615.3622 120.0 616.1463 150.0 616.301 120.0 617.2562 160.0 737.9139 100.0 END IONS BEGIN IONS SCANS=4774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4777 PEPMASS=809.2452 CHARGE=-1 COLLISION_ENERGY=0.0 89.0274 260.0 92.9248 150.0 101.1397 100.0 119.0481 280.0 145.0232 160.0 145.0317 170.0 160.0166 280.0 162.3892 110.0 163.0393 240.0 163.0436 120.0 163.6197 100.0 175.0382 5300.0 175.141 130.0 175.1545 200.0 193.0484 200.0 193.0528 270.0 205.0412 100.0 235.0633 130.0 265.0715 120.0 279.0568 110.0 286.1069 200.0 307.0757 210.0 310.0919 110.0 313.0595 110.0 337.0828 170.0 337.0908 100.0 361.1167 100.0 447.089 190.0 469.1285 150.0 470.1213 210.0 485.9836 120.0 487.14 1700.0 488.141 280.0 488.1548 270.0 489.1413 140.0 507.8565 100.0 526.9536 110.0 625.0074 100.0 663.1753 250.0 663.1929 250.0 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145.0301 510.0 146.0356 250.0 146.57 110.0 149.0402 120.0 151.0525 160.0 160.015 560.0 160.0213 510.0 161.0241 120.0 161.0509 110.0 163.0365 1100.0 173.5665 110.0 175.0386 8200.0 175.117 140.0 175.1503 150.0 175.3938 130.0 176.0385 230.0 176.0453 550.0 176.211 140.0 177.0383 140.0 177.0544 170.0 193.0483 260.0 203.0723 110.0 204.0728 130.0 206.0477 230.0 219.0903 160.0 225.0264 150.0 231.0582 140.0 232.0761 100.0 265.0749 420.0 265.4324 110.0 269.1666 110.0 307.076 620.0 309.0463 140.0 318.9797 120.0 321.0422 160.0 324.9928 260.0 326.0881 110.0 332.0113 120.0 337.0697 120.0 337.0915 250.0 399.036 110.0 469.1383 270.0 487.1433 2400.0 487.815 100.0 488.1564 420.0 502.1269 110.0 510.1925 110.0 517.1534 250.0 517.1657 230.0 524.3221 200.0 549.0694 100.0 619.8479 160.0 663.1961 1400.0 664.1872 520.0 664.199 230.0 665.1993 220.0 673.0353 180.0 700.1129 100.0 809.253 110.0 810.2412 160.0 END IONS BEGIN IONS SCANS=4825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4826 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140.0 510.1921 160.0 511.1066 110.0 512.0484 230.0 END IONS BEGIN IONS SCANS=4828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4834 PEPMASS=579.1774 CHARGE=-1 COLLISION_ENERGY=0.0 71.0106 120.0 93.0354 140.0 100.9271 160.0 101.0241 210.0 119.0437 290.0 124.0119 110.0 135.0424 130.0 137.026 160.0 151.0007 820.0 151.0296 340.0 151.0618 150.0 152.0032 180.0 159.7398 140.0 164.0078 120.0 166.0222 370.0 167.0361 140.0 177.0209 200.0 179.0291 220.0 181.0468 400.0 182.0559 150.0 193.0079 250.0 208.9564 150.0 229.0915 130.0 271.0578 1300.0 271.1514 110.0 271.7294 110.0 272.0614 150.0 283.0868 120.0 312.8217 190.0 331.073 140.0 337.0197 130.0 402.1242 160.0 610.8082 120.0 END IONS BEGIN IONS SCANS=4835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4843 PEPMASS=463.0875 CHARGE=-1 COLLISION_ENERGY=0.0 96.9604 450.0 108.0239 140.0 148.0134 130.0 151.004 330.0 153.0035 260.0 229.1229 100.0 243.0393 250.0 254.0189 190.0 254.8375 110.0 255.0306 220.0 262.8324 110.0 265.0534 160.0 271.0241 1300.0 272.0273 470.0 300.0296 1500.0 301.0303 650.0 302.0306 280.0 END IONS BEGIN IONS SCANS=4844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4848 PEPMASS=447.0903 CHARGE=-1 COLLISION_ENERGY=0.0 107.0151 310.0 133.0267 480.0 149.0211 380.0 149.9902 140.0 151.0015 490.0 151.9998 280.0 158.0398 120.0 160.0136 110.0 173.0553 130.0 175.036 170.0 187.0334 130.0 199.0409 320.0 200.0392 160.0 200.0491 110.0 212.0475 160.0 217.0412 100.0 227.0308 640.0 228.0342 180.0 240.0341 170.0 255.0357 140.0 256.0462 130.0 269.0417 190.0 279.0485 150.0 283.066 130.0 284.0314 13000.0 284.179 240.0 284.4284 140.0 285.0354 17000.0 285.1901 340.0 285.6062 120.0 285.6343 100.0 286.0399 3700.0 286.0998 260.0 286.1138 110.0 286.1926 160.0 287.041 500.0 288.3673 110.0 END IONS BEGIN IONS SCANS=4849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4850 PEPMASS=483.0674 CHARGE=-1 COLLISION_ENERGY=0.0 133.0261 130.0 142.9503 100.0 151.0029 250.0 171.0403 100.0 188.0367 160.0 191.0336 160.0 199.0345 110.0 212.0405 110.0 268.0271 100.0 284.0316 4900.0 284.1673 110.0 285.0383 14000.0 285.1893 470.0 285.6622 120.0 285.8263 100.0 286.0419 1900.0 286.1444 130.0 286.7969 140.0 287.0481 150.0 327.0416 140.0 447.0904 1800.0 447.1646 120.0 448.095 230.0 END IONS BEGIN IONS SCANS=4851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4853 PEPMASS=515.0772 CHARGE=-1 COLLISION_ENERGY=0.0 93.0338 230.0 105.0296 130.0 132.0472 110.0 144.9616 110.0 207.2466 100.0 255.0526 180.0 279.0558 120.0 282.9958 130.0 284.0315 1600.0 285.0398 6900.0 285.1742 120.0 285.1942 140.0 285.62 110.0 286.0391 890.0 286.086 140.0 287.0343 370.0 301.1301 100.0 303.0846 230.0 326.0404 120.0 328.0337 120.0 351.0394 160.0 369.0262 170.0 375.9787 110.0 447.0832 800.0 448.0978 250.0 450.1149 190.0 688.0081 100.0 END IONS BEGIN IONS SCANS=4854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4855 PEPMASS=895.1878 CHARGE=-1 COLLISION_ENERGY=0.0 87.8885 180.0 130.0404 260.0 132.0223 150.0 177.0191 130.0 199.0384 300.0 227.033 130.0 284.0279 110.0 284.0319 1400.0 285.0384 12000.0 285.1985 280.0 286.0373 1900.0 286.0453 460.0 286.0511 130.0 286.0947 180.0 287.0455 360.0 327.0434 180.0 334.1557 100.0 447.0036 150.0 447.091 72000.0 447.9459 380.0 448.0942 16000.0 448.2005 240.0 448.2283 210.0 448.2856 560.0 448.3233 170.0 448.5016 170.0 448.541 170.0 448.587 150.0 448.6643 150.0 448.7284 220.0 448.7972 150.0 448.815 130.0 449.0974 3000.0 449.1751 120.0 449.1857 140.0 449.2351 110.0 449.2839 180.0 449.3302 150.0 449.7347 140.0 449.7728 120.0 449.8359 110.0 449.8555 120.0 450.0903 410.0 895.2004 150.0 897.1854 130.0 END IONS BEGIN IONS SCANS=4856 PEPMASS=896.1913 CHARGE=-1 COLLISION_ENERGY=0.0 199.0368 120.0 211.0323 140.0 284.0409 280.0 285.0374 3400.0 286.0387 1600.0 287.0461 190.0 289.8147 120.0 329.0491 120.0 447.0914 7400.0 447.405 170.0 447.8594 190.0 448.0939 9500.0 448.771 130.0 449.0958 1700.0 449.2276 180.0 449.9332 130.0 451.1151 110.0 601.0352 120.0 END IONS BEGIN IONS SCANS=4857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4869 PEPMASS=505.0496 CHARGE=-1 COLLISION_ENERGY=0.0 121.0292 120.0 133.0255 120.0 284.0347 1800.0 284.1896 100.0 285.0394 5300.0 285.2353 110.0 285.4286 120.0 285.7249 150.0 285.7779 120.0 286.0439 1000.0 287.3344 100.0 328.0521 100.0 341.0118 150.0 447.0824 230.0 447.1374 130.0 448.1397 120.0 END IONS BEGIN IONS SCANS=4870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4890 PEPMASS=144.0445 CHARGE=-1 COLLISION_ENERGY=0.0 65.0055 160.0 65.9964 100.0 114.0343 180.0 115.043 490.0 404.0705 130.0 END IONS BEGIN IONS SCANS=4891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4915 PEPMASS=195.0291 CHARGE=-1 COLLISION_ENERGY=0.0 92.0259 520.0 96.9565 150.0 498.2643 150.0 END IONS BEGIN IONS SCANS=4916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4923 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4926 PEPMASS=305.1052 CHARGE=-1 COLLISION_ENERGY=0.0 79.9584 250.0 96.9596 4100.0 97.0474 210.0 97.075 100.0 98.9563 260.0 106.0654 200.0 136.92 470.0 136.9489 140.0 167.8754 110.0 201.5898 110.0 634.9992 120.0 END IONS BEGIN IONS SCANS=4927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4945 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4948 PEPMASS=369.1448 CHARGE=-1 COLLISION_ENERGY=0.0 72.9962 140.0 78.9563 100.0 79.0537 210.0 91.0593 200.0 93.0341 1900.0 93.0643 110.0 94.0409 190.0 96.9571 260.0 97.0698 130.0 108.0234 140.0 108.0544 300.0 109.0273 100.0 118.0259 290.0 122.0318 180.0 133.0194 110.0 134.039 260.0 134.0445 130.0 134.1 120.0 135.044 13000.0 135.135 150.0 135.1512 330.0 136.0461 2000.0 136.0832 130.0 136.1056 110.0 136.3813 130.0 137.0414 120.0 159.0304 100.0 161.0193 170.0 161.0446 140.0 167.0672 180.0 175.071 210.0 177.0454 270.0 183.9242 150.0 190.0516 240.0 206.8739 120.0 207.1149 630.0 232.1031 110.0 233.0938 1100.0 246.0189 130.0 248.2158 160.0 249.1145 420.0 249.1234 1800.0 249.1771 110.0 250.1198 380.0 265.0505 110.0 266.0604 290.0 267.0648 130.0 275.101 230.0 324.9495 110.0 335.1629 270.0 337.0487 100.0 369.1492 890.0 END IONS BEGIN IONS SCANS=4949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4950 PEPMASS=463.0876 CHARGE=-1 COLLISION_ENERGY=0.0 69.0332 180.0 79.9577 170.0 151.002 420.0 167.0578 150.0 194.8846 100.0 195.0087 120.0 214.0075 170.0 243.0274 290.0 255.0243 240.0 256.0251 200.0 271.0199 1000.0 272.0199 630.0 273.0238 210.0 283.0323 120.0 297.3567 130.0 299.0136 190.0 300.0242 940.0 301.0274 890.0 301.0953 110.0 302.0215 150.0 303.0264 270.0 341.0005 130.0 465.2696 150.0 END IONS BEGIN IONS SCANS=4951 PEPMASS=555.1632 CHARGE=-1 COLLISION_ENERGY=0.0 110.021 130.0 135.0423 300.0 150.0309 130.0 161.0128 180.0 253.1059 110.0 255.06 130.0 269.0452 180.0 289.05 200.0 291.0683 100.0 294.0943 160.0 295.0509 200.0 298.8273 130.0 326.0728 130.0 330.7933 110.0 392.9269 150.0 648.3478 180.0 END IONS BEGIN IONS SCANS=4952 PEPMASS=160.039 CHARGE=-1 COLLISION_ENERGY=0.0 72.0004 140.0 94.0274 130.0 100.6631 130.0 116.0497 3000.0 116.1004 250.0 116.149 130.0 117.0534 460.0 142.9414 120.0 146.8296 110.0 161.0244 150.0 356.4344 160.0 913.9623 110.0 936.7447 100.0 END IONS BEGIN IONS SCANS=4953 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4956 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4957 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4958 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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100.0 107.0468 310.0 107.053 130.0 117.0347 220.0 123.0403 240.0 123.0456 300.0 128.8965 140.0 133.0291 1400.0 134.0347 250.0 135.0437 2200.0 135.0891 200.0 151.0287 110.0 158.033 100.0 161.0234 4500.0 161.1365 140.0 162.0199 190.0 162.0262 350.0 179.0304 180.0 179.0369 370.0 180.0386 200.0 197.0429 130.0 201.1071 160.0 212.1201 110.0 END IONS BEGIN IONS SCANS=4972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4974 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4980 PEPMASS=463.0873 CHARGE=-1 COLLISION_ENERGY=0.0 65.005 120.0 112.9984 170.0 151.0038 380.0 175.0064 110.0 178.9947 370.0 197.0539 130.0 243.0251 250.0 255.0265 800.0 255.0915 140.0 271.0234 840.0 272.0272 480.0 273.0261 210.0 287.8041 130.0 300.0267 1700.0 300.1058 130.0 300.1511 140.0 301.0339 500.0 302.0385 130.0 302.5 130.0 END IONS BEGIN IONS SCANS=4981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4986 PEPMASS=785.2477 CHARGE=-1 COLLISION_ENERGY=0.0 71.0124 110.0 89.0216 200.0 113.0221 770.0 161.0248 1500.0 162.0236 110.0 179.035 180.0 305.0598 120.0 336.4161 140.0 386.0953 210.0 451.0467 110.0 461.1614 310.0 462.1708 160.0 555.0044 160.0 588.9276 120.0 609.1238 120.0 610.8097 110.0 623.2099 1100.0 623.2235 320.0 624.2132 460.0 639.9656 190.0 667.152 100.0 696.9991 100.0 747.1991 120.0 785.2471 4100.0 785.411 380.0 785.4904 150.0 785.6537 150.0 786.2503 1600.0 786.7648 110.0 787.1002 190.0 787.2507 720.0 787.4125 120.0 788.2637 130.0 789.1634 270.0 END IONS BEGIN IONS SCANS=4987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4988 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4994 PEPMASS=347.151 CHARGE=-1 COLLISION_ENERGY=0.0 72.0552 110.0 83.0295 220.0 97.0654 200.0 127.0209 1000.0 141.0349 450.0 143.0525 1700.0 143.1147 150.0 144.0514 170.0 146.0296 250.0 152.0401 250.0 187.0817 150.0 271.1145 100.0 285.1232 160.0 287.0959 270.0 END IONS BEGIN IONS SCANS=4995 PEPMASS=305.105 CHARGE=-1 COLLISION_ENERGY=0.0 72.9881 150.0 73.0358 150.0 78.9583 170.0 79.9592 260.0 86.9761 360.0 96.9608 18000.0 97.0483 610.0 97.0716 340.0 97.0766 140.0 97.3184 130.0 97.9595 150.0 98.9566 880.0 105.02 210.0 109.0345 120.0 117.0328 110.0 130.9646 440.0 170.8912 180.0 174.9512 120.0 177.8464 140.0 191.0659 130.0 193.0823 130.0 234.0179 150.0 305.1056 2800.0 305.216 120.0 306.1016 440.0 306.1134 260.0 307.1127 380.0 386.3745 170.0 414.8958 100.0 451.6903 170.0 END IONS BEGIN IONS SCANS=4996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4997 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=4999 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5001 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5002 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5003 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5005 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5006 PEPMASS=455.1028 CHARGE=-1 COLLISION_ENERGY=0.0 79.9567 490.0 80.9578 100.0 81.9513 240.0 87.0118 110.0 88.0381 140.0 93.0392 110.0 95.9506 460.0 96.5973 100.0 96.9605 1500.0 109.9617 260.0 136.984 140.0 137.0238 110.0 171.1048 160.0 218.9847 140.0 285.0432 190.0 361.1137 160.0 398.0066 220.0 455.1219 120.0 457.0875 120.0 END IONS BEGIN IONS SCANS=5007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5008 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5009 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5010 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5011 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5012 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5013 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5014 PEPMASS=353.1502 CHARGE=-1 COLLISION_ENERGY=0.0 84.0532 110.0 93.0331 1600.0 93.1216 160.0 107.0464 230.0 119.0504 2100.0 119.1474 120.0 120.049 140.0 121.0253 140.0 136.0431 110.0 163.8837 210.0 183.0448 140.0 188.0959 150.0 234.1302 110.0 END IONS BEGIN IONS SCANS=5015 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5016 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5017 PEPMASS=313.1165 CHARGE=-1 COLLISION_ENERGY=0.0 94.0674 360.0 104.0539 200.0 105.0541 150.0 107.0358 760.0 107.0643 490.0 108.0409 110.0 122.0627 1100.0 133.0376 120.0 148.0423 440.0 152.0708 110.0 160.0387 350.0 201.8276 110.0 207.0226 110.0 225.8691 110.0 END IONS BEGIN IONS SCANS=5018 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5019 PEPMASS=389.1273 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 230.0 73.0356 160.0 75.0053 150.0 80.9167 100.0 81.0393 130.0 82.0374 100.0 92.9229 140.0 93.0344 3500.0 94.0367 220.0 96.9578 160.0 104.9652 180.0 105.0343 280.0 118.0335 280.0 119.0504 7100.0 119.1196 220.0 119.1509 260.0 119.3374 100.0 120.0422 200.0 120.0514 690.0 123.0441 230.0 123.0484 200.0 133.0264 540.0 133.0371 270.0 134.0317 160.0 135.043 900.0 136.9206 130.0 145.029 210.0 146.0455 120.0 150.0284 440.0 161.0207 1600.0 166.0196 130.0 166.8615 110.0 172.0798 270.0 172.0887 110.0 179.0261 220.0 181.0445 160.0 182.0313 230.0 183.0528 120.0 183.0637 110.0 186.8655 120.0 190.0754 110.0 190.0865 590.0 191.0829 110.0 191.1246 110.0 201.0451 220.0 205.0991 170.0 207.1096 310.0 207.8926 120.0 216.0942 140.0 216.103 260.0 216.9135 150.0 233.1187 180.0 233.1274 880.0 237.0488 120.0 268.0391 230.0 270.1415 170.0 274.0954 140.0 275.0115 100.0 304.0888 170.0 745.733 190.0 END IONS BEGIN IONS SCANS=5020 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5022 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5023 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5027 PEPMASS=391.1027 CHARGE=-1 COLLISION_ENERGY=0.0 72.9899 220.0 134.042 140.0 135.0449 250.0 159.5866 110.0 160.9071 190.0 161.0221 2400.0 161.0982 140.0 161.1684 190.0 162.0222 420.0 162.0618 120.0 179.0371 540.0 180.0378 130.0 182.0402 120.0 197.0488 750.0 197.0975 160.0 233.062 100.0 301.8102 240.0 307.8379 110.0 311.1604 110.0 336.0281 110.0 359.0884 200.0 360.0775 140.0 393.1868 100.0 END IONS BEGIN IONS SCANS=5028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5029 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5030 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5031 PEPMASS=799.1877 CHARGE=-1 COLLISION_ENERGY=0.0 102.9576 140.0 109.0216 170.0 188.0458 200.0 229.0093 110.0 265.0318 150.0 273.0337 140.0 309.0883 120.0 310.0839 270.0 312.1005 120.0 327.1167 190.0 340.0624 150.0 353.0553 170.0 354.076 140.0 365.1006 160.0 367.039 110.0 367.0896 130.0 369.0948 330.0 369.1361 130.0 370.0961 150.0 371.1133 150.0 393.017 120.0 396.0851 260.0 400.0131 120.0 443.1304 240.0 467.0964 140.0 483.1319 170.0 498.1086 100.0 514.1444 110.0 515.1174 100.0 519.1849 120.0 523.4871 130.0 541.1219 160.0 547.2047 160.0 559.0178 100.0 579.1406 120.0 583.2117 100.0 718.1501 120.0 719.1997 130.0 720.1895 110.0 731.1948 120.0 732.8467 120.0 733.1996 110.0 748.1871 290.0 763.2072 4900.0 763.4491 140.0 763.5269 100.0 764.2081 1700.0 765.2231 760.0 765.353 100.0 800.1662 110.0 938.2373 120.0 END IONS BEGIN IONS SCANS=5032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5033 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5034 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5035 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5036 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5037 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5038 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5039 PEPMASS=579.1706 CHARGE=-1 COLLISION_ENERGY=0.0 83.0143 110.0 93.0343 120.0 97.029 260.0 101.0207 150.0 107.0149 100.0 119.0449 290.0 119.0491 550.0 135.038 120.0 136.0204 100.0 136.0512 150.0 150.9939 130.0 151.0013 2500.0 151.0782 100.0 152.0042 320.0 161.0414 130.0 165.0148 310.0 174.9984 200.0 175.0065 230.0 190.9966 150.0 193.0057 110.0 195.4461 100.0 218.057 150.0 219.0244 120.0 227.0727 110.0 228.9136 170.0 236.966 210.0 238.8712 130.0 253.0527 200.0 271.0606 8000.0 271.131 180.0 271.1592 150.0 271.2127 330.0 272.0622 1800.0 272.337 150.0 274.0692 160.0 286.8747 150.0 299.0798 150.0 300.03 120.0 301.0152 120.0 313.0684 160.0 363.0684 130.0 380.9724 240.0 463.0724 210.0 543.1072 180.0 544.1287 130.0 578.9329 180.0 579.1631 1200.0 579.276 170.0 580.1642 280.0 580.245 140.0 777.9388 120.0 813.033 130.0 890.6457 140.0 END IONS BEGIN IONS SCANS=5040 PEPMASS=615.1474 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 360.0 93.0348 340.0 93.0395 210.0 97.0311 170.0 107.0227 130.0 109.0282 180.0 118.4496 140.0 119.0482 600.0 125.0201 100.0 128.7932 170.0 131.0272 130.0 135.0472 250.0 149.0616 150.0 151.0031 2300.0 165.0215 110.0 171.0772 270.0 173.0236 100.0 175.0033 450.0 177.0155 110.0 180.029 120.0 187.0336 110.0 190.9881 110.0 191.0467 140.0 193.0113 250.0 227.069 240.0 229.0442 150.0 238.9763 150.0 246.9407 120.0 261.1125 110.0 267.0602 130.0 269.5011 140.0 271.06 14000.0 271.1324 320.0 271.2056 410.0 271.2154 160.0 272.0626 3900.0 272.0737 270.0 272.1432 120.0 272.1559 120.0 272.2088 140.0 272.7469 120.0 273.4492 120.0 294.0891 170.0 295.0541 260.0 308.8834 130.0 313.0539 140.0 313.0613 110.0 339.1087 140.0 357.056 250.0 410.0714 130.0 579.1695 3100.0 579.2901 420.0 579.382 170.0 580.1691 930.0 580.3156 150.0 581.1728 200.0 581.4379 120.0 615.2695 450.0 616.2849 140.0 621.1514 100.0 END IONS BEGIN IONS SCANS=5041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5043 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5048 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5050 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5051 PEPMASS=521.1279 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 300.0 93.0337 250.0 105.0369 210.0 121.5502 130.0 123.0463 150.0 135.0426 520.0 136.0411 190.0 161.0225 910.0 162.0206 130.0 179.0296 300.0 180.0409 220.0 182.0461 140.0 185.9412 140.0 197.0445 820.0 223.0888 110.0 255.0249 200.0 316.1454 100.0 323.0655 180.0 325.1754 140.0 326.0274 110.0 333.0386 150.0 370.7364 160.0 378.1069 200.0 END IONS BEGIN IONS SCANS=5052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5053 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5054 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5055 PEPMASS=231.1223 CHARGE=-1 COLLISION_ENERGY=0.0 104.0394 110.0 120.941 830.0 122.9401 100.0 130.9654 120.0 136.9991 150.0 140.9574 310.0 141.9806 160.0 156.9542 440.0 164.9267 270.0 166.864 220.0 169.1219 530.0 170.1195 110.0 171.1033 1700.0 173.0402 100.0 184.8731 260.0 186.8769 180.0 231.1163 160.0 290.4915 100.0 END IONS BEGIN IONS SCANS=5056 PEPMASS=493.1474 CHARGE=-1 COLLISION_ENERGY=0.0 135.0447 280.0 149.0139 110.0 429.1258 110.0 END IONS BEGIN IONS SCANS=5057 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5060 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5065 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5067 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5068 PEPMASS=745.3005 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514.1195 130.0 541.1286 170.0 677.187 130.0 733.1907 230.0 734.1947 150.0 END IONS BEGIN IONS SCANS=5138 PEPMASS=763.2042 CHARGE=-1 COLLISION_ENERGY=0.0 87.0094 160.0 101.0205 210.0 114.0228 160.0 259.032 200.0 273.0309 120.0 295.0553 390.0 309.0753 440.0 310.0821 360.0 325.1123 130.0 326.0574 120.0 326.1181 110.0 327.0912 200.0 352.0087 100.0 353.0795 240.0 354.0654 270.0 361.0148 110.0 369.098 510.0 370.0973 240.0 371.1258 110.0 372.0972 100.0 381.0533 310.0 382.0574 150.0 396.0862 140.0 427.0906 270.0 442.1045 100.0 443.2671 140.0 498.0873 170.0 499.1163 170.0 513.1195 390.0 531.1346 100.0 678.1856 110.0 748.1772 150.0 763.1996 450.0 764.1958 330.0 END IONS BEGIN IONS SCANS=5139 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5141 PEPMASS=187.0964 CHARGE=-1 COLLISION_ENERGY=0.0 75.7378 200.0 430.2115 120.0 493.8858 100.0 719.5772 110.0 END IONS BEGIN IONS SCANS=5142 PEPMASS=0.0 CHARGE=1 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273.1083 120.0 278.0558 120.0 346.0549 210.0 353.0621 100.0 354.0791 110.0 368.107 250.0 369.0913 300.0 371.1135 150.0 379.0725 120.0 391.1 110.0 397.0899 230.0 441.1168 140.0 443.11 110.0 467.1587 120.0 482.116 240.0 513.1415 140.0 523.1081 110.0 541.1342 130.0 585.2467 130.0 588.6134 120.0 639.152 390.0 677.2051 120.0 720.2058 170.0 725.1285 110.0 748.1754 120.0 763.2112 930.0 764.219 460.0 765.2201 370.0 END IONS BEGIN IONS SCANS=5219 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5220 PEPMASS=769.2539 CHARGE=-1 COLLISION_ENERGY=0.0 113.0245 340.0 131.035 110.0 145.0297 130.0 153.0533 220.0 161.0221 500.0 162.0254 160.0 175.0385 910.0 193.0487 400.0 245.0749 100.0 259.4417 120.0 270.9258 210.0 279.0602 110.0 304.9226 120.0 339.067 140.0 353.0253 130.0 395.0525 170.0 407.8338 140.0 413.0505 190.0 423.1032 110.0 459.0887 220.0 461.1692 120.0 462.1655 190.0 463.1655 130.0 472.0973 120.0 496.0833 130.0 511.1571 130.0 593.2008 500.0 621.1098 110.0 623.2027 170.0 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266.0564 180.0 270.0434 120.0 285.0404 100.0 298.0746 100.0 308.0624 190.0 311.0449 140.0 315.0496 400.0 319.0692 140.0 321.0738 180.0 323.0803 160.0 339.0749 210.0 341.0994 430.0 349.0604 170.0 350.0674 240.0 351.2243 180.0 367.0815 150.0 374.0621 120.0 542.8383 100.0 577.045 140.0 END IONS BEGIN IONS SCANS=5287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5288 PEPMASS=521.13 CHARGE=-1 COLLISION_ENERGY=0.0 72.993 180.0 106.0698 110.0 109.6894 120.0 123.0423 350.0 135.0428 440.0 153.0567 130.0 161.0227 180.0 174.0522 150.0 179.0315 780.0 197.0432 2700.0 197.1711 100.0 197.4716 110.0 198.0468 340.0 359.0918 220.0 360.1019 140.0 380.9788 150.0 384.1243 210.0 502.9829 150.0 END IONS BEGIN IONS SCANS=5289 PEPMASS=193.049 CHARGE=-1 COLLISION_ENERGY=0.0 92.0241 220.0 94.024 160.0 133.0284 460.0 134.0299 120.0 194.048 170.0 549.0736 260.0 END IONS BEGIN IONS SCANS=5290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5291 PEPMASS=0.0 CHARGE=1 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234.0112 200.0 234.8727 220.0 287.0884 100.0 295.0433 170.0 301.1185 120.0 312.0724 200.0 320.1868 120.0 350.6334 180.0 361.1917 250.0 365.1917 110.0 449.044 210.0 476.7138 260.0 601.3406 150.0 END IONS BEGIN IONS SCANS=5329 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5335 PEPMASS=405.1582 CHARGE=-1 COLLISION_ENERGY=0.0 89.0205 150.0 94.9288 310.0 102.0289 170.0 123.0485 270.0 126.0143 100.0 127.02 1200.0 135.0422 200.0 141.0438 140.0 142.0385 110.0 145.0313 180.0 159.0668 160.0 185.0648 120.0 203.0749 280.0 211.0461 360.0 224.0933 150.0 225.0597 220.0 286.0878 110.0 287.0955 190.0 288.0944 140.0 305.5045 100.0 659.251 110.0 END IONS BEGIN IONS SCANS=5336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5340 PEPMASS=835.2396 CHARGE=-1 COLLISION_ENERGY=0.0 125.0183 340.0 135.0485 190.0 161.025 280.0 175.0391 1000.0 178.0252 120.0 193.0468 730.0 221.078 160.0 265.0621 190.0 357.1995 160.0 369.1823 140.0 461.1675 430.0 462.1597 140.0 469.1498 110.0 473.1436 110.0 497.0824 110.0 507.0193 160.0 531.0903 110.0 605.197 200.0 623.2119 930.0 624.2284 350.0 625.2249 130.0 637.2383 140.0 638.2178 110.0 661.1575 150.0 799.2575 2300.0 800.267 1100.0 801.2633 180.0 END IONS BEGIN IONS SCANS=5341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5343 PEPMASS=0.0 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135.0489 300.0 149.0446 130.0 160.0162 160.0 161.0344 260.0 162.0282 250.0 175.0401 1300.0 179.0504 340.0 193.0522 460.0 266.0644 100.0 297.0926 140.0 315.1045 220.0 444.1543 300.0 444.1993 140.0 461.1651 910.0 462.1756 270.0 469.1414 220.0 476.9984 110.0 572.3507 140.0 623.2215 960.0 624.2174 510.0 625.2367 230.0 637.2171 290.0 683.0591 100.0 799.2591 1300.0 799.3986 110.0 800.2516 200.0 800.3678 100.0 END IONS BEGIN IONS SCANS=5350 PEPMASS=800.2673 CHARGE=-1 COLLISION_ENERGY=0.0 464.2721 100.0 472.1745 100.0 514.624 120.0 575.1874 110.0 737.9026 110.0 800.1195 150.0 800.2617 4300.0 801.2638 1000.0 801.448 150.0 802.0759 110.0 802.2747 500.0 804.2134 150.0 END IONS BEGIN IONS SCANS=5351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5353 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5354 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5355 PEPMASS=0.0 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237.0561 260.0 238.0713 280.0 239.0692 270.0 250.0666 210.0 265.0528 140.0 266.0631 320.0 267.0627 660.0 267.1179 210.0 END IONS BEGIN IONS SCANS=5364 PEPMASS=309.0405 CHARGE=-1 COLLISION_ENERGY=0.0 86.9749 150.0 109.0568 180.0 125.8714 270.0 125.8979 120.0 130.9634 200.0 141.0668 130.0 149.0226 240.0 158.0418 130.0 159.0403 240.0 160.0436 150.0 161.0305 170.0 165.0685 600.0 175.049 180.0 181.0608 260.0 182.0709 160.0 183.0783 180.0 191.0475 240.0 192.0505 350.0 192.092 120.0 193.0642 500.0 194.0674 210.0 196.0482 200.0 197.0613 530.0 203.0545 150.0 204.054 460.0 205.0553 140.0 207.0451 200.0 209.0584 1800.0 209.1902 140.0 210.0659 530.0 211.078 650.0 219.0424 320.0 219.0868 170.0 220.0452 280.0 220.0866 110.0 221.0578 790.0 222.0638 510.0 222.1327 100.0 222.3118 100.0 224.0439 260.0 235.0352 160.0 236.0445 140.0 237.0551 380.0 238.059 500.0 239.0653 440.0 240.0741 100.0 248.0479 520.0 249.0509 480.0 250.0649 470.0 265.044 400.0 265.102 110.0 266.053 390.0 267.066 2400.0 268.0697 200.0 268.5615 120.0 END IONS BEGIN IONS SCANS=5365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5367 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5374 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5375 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5382 PEPMASS=405.1571 CHARGE=-1 COLLISION_ENERGY=0.0 127.0159 450.0 173.0475 220.0 203.0691 520.0 225.0571 230.0 246.0774 120.0 287.0944 180.0 345.1457 120.0 347.0907 120.0 405.1572 2400.0 405.4129 120.0 406.1579 630.0 407.1751 130.0 675.3474 110.0 END IONS BEGIN IONS SCANS=5383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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193.0503 560.0 266.0648 180.0 286.0394 160.0 291.0378 100.0 297.0869 110.0 349.0649 120.0 461.1694 310.0 462.1752 190.0 491.1548 170.0 593.2011 1000.0 594.2106 480.0 607.2264 120.0 637.2163 250.0 651.1067 110.0 769.256 460.0 770.2678 280.0 END IONS BEGIN IONS SCANS=5451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5457 PEPMASS=577.1522 CHARGE=-1 COLLISION_ENERGY=0.0 63.5097 120.0 73.0305 240.0 87.0522 120.0 89.0271 260.0 101.0248 140.0 107.0152 220.0 119.0515 120.0 123.0032 170.0 135.0436 110.0 149.0185 100.0 151.0019 440.0 162.0414 220.0 169.0658 180.0 177.0201 140.0 221.0813 120.0 240.0648 110.0 264.0443 160.0 265.0645 150.0 268.0358 550.0 269.0439 49000.0 269.5856 140.0 270.0457 12000.0 270.105 220.0 270.1424 120.0 270.1503 180.0 270.1926 120.0 270.3986 110.0 270.6086 130.0 271.041 140.0 271.0561 1700.0 272.0416 290.0 283.0592 240.0 283.1117 100.0 295.043 210.0 311.0555 370.0 321.9207 200.0 369.2187 120.0 401.9476 110.0 408.7867 270.0 408.8275 120.0 442.7526 120.0 459.1096 220.0 543.2283 100.0 577.1531 2900.0 577.2249 250.0 577.2392 160.0 577.8345 150.0 578.1569 1400.0 578.3073 100.0 579.167 1400.0 580.1526 120.0 END IONS BEGIN IONS SCANS=5458 PEPMASS=613.1291 CHARGE=-1 COLLISION_ENERGY=0.0 61.9917 110.0 137.0285 120.0 151.0085 100.0 168.1031 170.0 268.0288 170.0 269.0452 15000.0 270.0457 2800.0 270.1602 140.0 270.2247 120.0 271.0571 1100.0 282.0474 120.0 295.0603 110.0 311.1135 130.0 399.1983 160.0 409.957 110.0 525.0901 140.0 577.1555 3000.0 577.7396 130.0 578.1461 130.0 578.158 1400.0 578.3609 130.0 578.5011 160.0 579.1689 1000.0 579.2448 270.0 580.1722 190.0 618.5779 110.0 END IONS BEGIN IONS SCANS=5459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5460 PEPMASS=635.1104 CHARGE=-1 COLLISION_ENERGY=0.0 87.0047 170.0 89.0239 110.0 141.9581 130.0 158.9695 100.0 163.0358 140.0 187.0896 240.0 262.0629 130.0 269.0421 8800.0 269.1805 300.0 269.2481 180.0 269.4382 180.0 269.8273 110.0 270.0418 620.0 270.0485 1100.0 285.0349 100.0 318.1877 120.0 326.9989 580.0 351.016 240.0 359.0875 150.0 407.0264 160.0 577.148 2200.0 578.1495 530.0 579.1649 290.0 600.1422 130.0 635.1109 300.0 636.1185 140.0 637.0903 370.0 637.2492 140.0 637.5019 120.0 END IONS BEGIN IONS SCANS=5461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5462 PEPMASS=645.1385 CHARGE=-1 COLLISION_ENERGY=0.0 61.9925 120.0 71.0122 140.0 89.0214 120.0 128.7314 120.0 141.0032 100.0 268.0374 170.0 268.7581 100.0 269.0435 11000.0 269.144 340.0 269.1937 260.0 270.0467 2300.0 271.0535 290.0 282.9928 160.0 299.0525 140.0 299.0599 260.0 300.0436 170.0 337.154 110.0 369.1384 180.0 409.0638 190.0 459.12 120.0 599.1329 230.0 600.1002 110.0 738.9004 260.0 END IONS BEGIN IONS SCANS=5463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5469 PEPMASS=691.1853 CHARGE=-1 COLLISION_ENERGY=0.0 71.0164 300.0 96.9585 410.0 113.0228 220.0 115.038 140.0 143.0298 140.0 144.8093 130.0 152.0698 110.0 195.0658 180.0 229.0111 140.0 242.0507 270.0 243.0231 360.0 271.0915 110.0 280.075 690.0 282.0875 250.0 285.0353 120.0 294.0442 110.0 306.052 190.0 308.063 190.0 313.1048 150.0 318.0468 160.0 323.0915 210.0 325.0667 110.0 336.0594 280.0 341.0947 220.0 342.117 240.0 349.078 130.0 350.0659 130.0 351.0691 140.0 352.818 140.0 367.0818 640.0 367.1405 100.0 371.8393 200.0 384.9652 110.0 397.0996 120.0 398.9814 170.0 409.961 100.0 440.9911 100.0 467.1244 180.0 510.0167 130.0 512.1267 180.0 517.4136 150.0 594.164 130.0 595.1881 140.0 END IONS BEGIN IONS SCANS=5470 PEPMASS=727.1628 CHARGE=-1 COLLISION_ENERGY=0.0 87.0069 170.0 89.027 410.0 113.0238 170.0 125.0252 110.0 151.0722 120.0 173.0413 170.0 222.0739 120.0 239.7156 230.0 243.027 380.0 243.0704 100.0 269.0814 120.0 269.131 100.0 282.0873 220.0 284.0611 200.0 292.025 110.0 304.0332 120.0 308.0679 340.0 323.0859 1100.0 325.0627 140.0 326.0762 110.0 327.0802 120.0 338.041 140.0 339.0741 270.0 340.0858 260.0 341.1005 510.0 349.0703 320.0 355.1174 160.0 365.0551 130.0 367.0821 780.0 367.1359 210.0 382.0005 150.0 383.1067 150.0 387.0707 230.0 409.0955 100.0 483.1075 230.0 490.2332 110.0 END IONS BEGIN IONS SCANS=5471 PEPMASS=651.1103 CHARGE=-1 COLLISION_ENERGY=0.0 118.0479 120.0 122.9812 120.0 137.0172 130.0 181.0482 190.0 183.038 200.0 190.0163 110.0 221.08 120.0 255.0354 270.0 256.0442 130.0 284.0339 2000.0 285.0375 2400.0 286.0397 830.0 287.0438 120.0 289.014 220.0 307.007 120.0 311.0491 140.0 326.9969 160.0 341.0928 150.0 349.0635 180.0 354.0219 120.0 356.0748 240.0 365.175 130.0 381.9493 100.0 384.1068 110.0 402.1183 190.0 433.1357 130.0 435.109 100.0 452.9106 100.0 455.0239 100.0 489.0891 200.0 489.158 150.0 593.1472 700.0 594.1464 320.0 END IONS BEGIN IONS SCANS=5472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5473 PEPMASS=733.1962 CHARGE=-1 COLLISION_ENERGY=0.0 89.129 130.0 99.0225 100.0 102.0255 140.0 119.0415 180.0 224.0831 110.0 242.9879 160.0 243.0219 120.0 247.0538 350.0 270.1262 120.0 273.0294 160.0 280.0667 110.0 282.0814 150.0 285.0655 160.0 292.9442 110.0 294.0839 210.0 295.0897 190.0 309.0584 140.0 311.0544 230.0 319.0237 300.0 323.0479 210.0 324.0628 210.0 326.0623 150.0 328.0903 110.0 334.0481 170.0 339.0932 180.0 341.0983 120.0 349.0687 110.0 352.0635 210.0 363.1306 120.0 380.0606 150.0 395.1153 150.0 397.0928 190.0 411.1149 130.0 447.1179 110.0 468.1054 240.0 468.1732 120.0 718.1599 320.0 733.1731 210.0 734.1747 240.0 END IONS BEGIN IONS SCANS=5474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5494 PEPMASS=661.1354 CHARGE=-1 COLLISION_ENERGY=0.0 229.0525 170.0 285.0367 330.0 286.034 290.0 313.0351 190.0 337.0342 110.0 501.1129 130.0 593.1552 1700.0 593.9482 150.0 594.1474 600.0 595.1522 420.0 615.1171 130.0 616.1489 130.0 625.8127 100.0 661.1729 220.0 663.2973 120.0 665.1699 390.0 666.1727 110.0 714.4861 160.0 END IONS BEGIN IONS SCANS=5495 PEPMASS=593.1491 CHARGE=-1 COLLISION_ENERGY=0.0 71.015 270.0 89.0297 150.0 94.0381 140.0 96.0068 210.0 101.0263 220.0 102.5043 120.0 106.0029 150.0 121.0096 160.0 122.8348 130.0 130.0325 110.0 131.0302 150.0 132.0319 110.0 150.9997 250.0 172.0487 260.0 173.0209 120.0 174.9951 140.0 184.0402 110.0 185.0504 110.0 187.0419 220.0 189.0526 290.0 191.0059 130.0 196.0458 170.0 207.0289 220.0 208.9995 190.0 212.0444 100.0 215.0555 130.0 217.0346 180.0 227.0311 1000.0 227.0385 270.0 228.0316 140.0 229.0437 150.0 229.0508 480.0 241.043 130.0 241.048 220.0 243.0265 110.0 255.0294 3700.0 255.0987 170.0 256.0338 1600.0 256.0946 150.0 257.0365 220.0 257.0439 390.0 257.0689 110.0 258.0335 160.0 258.0479 120.0 267.0651 110.0 284.0328 15000.0 284.1146 110.0 284.1837 130.0 284.6809 110.0 284.9818 220.0 285.0396 22000.0 285.1655 150.0 285.1883 410.0 285.1992 110.0 285.2231 110.0 285.2834 110.0 285.3481 140.0 286.0429 3800.0 286.0495 680.0 286.0892 320.0 286.1282 130.0 287.0418 250.0 288.0421 120.0 299.0337 260.0 311.0905 150.0 318.9106 120.0 327.0441 220.0 327.053 270.0 357.0565 110.0 377.0118 160.0 407.9456 110.0 447.0867 150.0 588.13 110.0 593.1342 160.0 593.1487 12000.0 594.1504 5300.0 594.3471 150.0 595.1641 1100.0 596.1554 330.0 596.226 120.0 END IONS BEGIN IONS SCANS=5496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5502 PEPMASS=453.2242 CHARGE=-1 COLLISION_ENERGY=0.0 85.0272 140.0 180.9262 120.0 197.1101 130.0 305.0065 230.0 END IONS BEGIN IONS SCANS=5503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5513 PEPMASS=463.253 CHARGE=-1 COLLISION_ENERGY=0.0 85.0284 390.0 133.6804 140.0 264.0435 110.0 END IONS BEGIN IONS SCANS=5514 PEPMASS=651.1132 CHARGE=-1 COLLISION_ENERGY=0.0 150.9986 140.0 195.0675 160.0 211.0445 110.0 227.0211 100.0 255.0223 270.0 256.0348 340.0 267.0428 110.0 284.0322 1800.0 284.455 110.0 285.0394 2700.0 285.1595 170.0 285.2291 140.0 285.8306 110.0 285.8719 120.0 286.0455 500.0 300.0246 520.0 301.0282 140.0 313.0161 100.0 327.0525 120.0 343.0059 100.0 343.0899 110.0 358.9537 110.0 447.0768 120.0 531.8952 140.0 593.1443 1000.0 594.1626 170.0 595.1604 290.0 840.4663 160.0 END IONS BEGIN IONS SCANS=5515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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240.0 195.0538 140.0 196.0538 570.0 197.0585 680.0 198.0697 110.0 203.0446 320.0 204.0552 110.0 204.5993 100.0 205.0594 110.0 207.0466 160.0 209.0582 1800.0 210.0629 710.0 211.0706 410.0 219.0414 260.0 220.0478 620.0 220.0898 150.0 221.0595 370.0 222.0671 320.0 223.0382 160.0 223.0677 100.0 224.0446 160.0 237.0537 1100.0 238.0624 1200.0 239.0705 600.0 247.0375 140.0 248.0445 330.0 249.0549 420.0 250.0592 160.0 265.0471 1300.0 266.0589 460.0 267.0661 2700.0 267.2106 110.0 268.0665 660.0 281.0479 160.0 311.0585 140.0 END IONS BEGIN IONS SCANS=5536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5539 PEPMASS=311.0553 CHARGE=-1 COLLISION_ENERGY=0.0 86.9786 130.0 113.0469 160.0 158.0367 160.0 159.039 300.0 165.0705 240.0 167.0858 110.0 180.0542 190.0 193.0691 590.0 194.0689 270.0 195.0765 200.0 197.0559 320.0 204.0612 120.0 209.0584 270.0 211.0768 300.0 221.0546 270.0 222.069 620.0 237.0536 300.0 239.0688 130.0 240.0691 200.0 248.0537 130.0 265.0489 160.0 266.0525 140.0 267.0666 560.0 268.0696 270.0 END IONS BEGIN IONS SCANS=5540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5541 PEPMASS=629.2391 CHARGE=-1 COLLISION_ENERGY=0.0 101.0198 200.0 258.1313 140.0 259.132 320.0 260.138 360.0 285.0315 140.0 305.984 170.0 421.1811 800.0 422.187 190.0 451.2259 100.0 539.1598 160.0 586.0119 160.0 595.2755 200.0 597.1117 110.0 629.2302 140.0 630.2761 190.0 631.2647 280.0 END IONS BEGIN IONS SCANS=5542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5543 PEPMASS=347.0322 CHARGE=-1 COLLISION_ENERGY=0.0 93.0703 120.0 96.96 110.0 127.0746 260.0 159.0399 140.0 183.0749 260.0 193.0698 100.0 196.0476 270.0 209.0626 110.0 211.0769 100.0 221.0608 420.0 237.0651 130.0 238.0697 100.0 239.0699 160.0 249.0469 250.0 264.049 210.0 265.0485 230.0 267.064 5100.0 267.2086 180.0 268.0681 740.0 269.0743 150.0 286.3543 120.0 311.0524 460.0 596.0636 130.0 725.3533 220.0 END IONS BEGIN IONS SCANS=5544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5550 PEPMASS=243.1216 CHARGE=-1 COLLISION_ENERGY=0.0 67.0556 150.0 118.0649 220.0 130.9648 190.0 181.1159 130.0 183.1015 300.0 207.1057 100.0 215.1361 100.0 225.1125 200.0 980.1226 100.0 END IONS BEGIN IONS SCANS=5551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5554 PEPMASS=0.0 CHARGE=1 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CHARGE=-1 COLLISION_ENERGY=0.0 87.0559 140.0 95.0125 170.0 113.0186 330.0 134.0345 130.0 135.0399 170.0 153.0584 110.0 162.0341 120.0 165.0549 100.0 193.0523 170.0 287.0749 140.0 300.0269 560.0 301.0246 440.0 301.0874 150.0 313.022 140.0 314.061 120.0 315.0476 4700.0 315.2065 180.0 315.2676 120.0 315.5969 140.0 316.0558 690.0 317.0407 140.0 317.5012 120.0 337.0559 100.0 344.001 200.0 359.1174 130.0 459.0836 280.0 466.1643 170.0 507.0321 260.0 519.1061 120.0 629.1412 180.0 630.0916 130.0 639.1477 200.0 END IONS BEGIN IONS SCANS=5623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5629 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5715 PEPMASS=337.0344 CHARGE=-1 COLLISION_ENERGY=0.0 78.9573 160.0 96.9616 230.0 109.0261 100.0 151.0498 120.0 174.031 100.0 181.0745 180.0 183.0379 130.0 206.9752 100.0 207.0459 190.0 208.0531 380.0 210.0713 170.0 211.0389 120.0 219.0373 350.0 220.0572 190.0 221.0666 110.0 235.0313 190.0 237.0422 140.0 247.0415 280.0 248.0477 240.0 249.0626 110.0 263.0497 280.0 264.0396 630.0 265.0495 580.0 266.0445 150.0 276.0359 160.0 END IONS BEGIN IONS SCANS=5716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5719 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5742 PEPMASS=358.0683 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 420.0 73.0149 140.0 74.024 190.0 109.0354 130.0 134.0378 220.0 135.0435 1300.0 135.1727 140.0 161.0236 280.0 171.0978 110.0 179.0308 280.0 181.0396 150.0 181.116 160.0 185.5556 140.0 197.0398 420.0 229.0106 440.0 229.1384 120.0 243.0263 290.0 267.1042 180.0 269.0788 120.0 270.0801 100.0 295.0548 490.0 295.0969 180.0 296.0523 130.0 296.1214 120.0 297.0699 120.0 321.0696 190.0 327.0485 110.0 339.0483 410.0 344.106 200.0 345.1082 100.0 345.982 100.0 346.1335 110.0 359.2073 180.0 360.1879 110.0 361.1662 130.0 365.0605 130.0 END IONS BEGIN IONS SCANS=5743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5747 PEPMASS=417.0819 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 1800.0 73.9982 360.0 77.2131 200.0 101.0412 120.0 109.0285 130.0 119.0517 130.0 123.0416 540.0 123.0502 150.0 124.0465 230.0 129.0342 1200.0 130.031 180.0 131.0588 160.0 135.044 2600.0 135.0859 210.0 135.1471 100.0 136.0466 190.0 146.036 210.0 148.0456 220.0 149.0593 470.0 149.0874 120.0 157.0266 1400.0 157.6523 120.0 158.0316 140.0 174.0286 170.0 174.0341 230.0 175.0395 1600.0 176.0396 370.0 176.0471 160.0 179.0304 410.0 179.037 190.0 186.9852 120.0 193.057 110.0 197.0437 170.0 204.0331 240.0 327.092 140.0 894.4888 110.0 END IONS BEGIN IONS SCANS=5748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5759 PEPMASS=713.1135 CHARGE=-1 COLLISION_ENERGY=0.0 72.9902 150.0 95.0494 220.0 99.007 140.0 109.028 1900.0 109.086 150.0 133.0307 310.0 134.0325 110.0 135.043 1400.0 136.048 100.0 151.0397 160.0 157.0238 160.0 158.0282 140.0 159.0452 290.0 161.0204 120.0 162.832 130.0 177.0396 250.0 178.0212 100.0 179.0356 540.0 185.0255 100.0 187.0327 550.0 197.0421 2500.0 197.1702 140.0 199.03 120.0 203.0339 300.0 215.034 300.0 221.045 210.0 225.0533 120.0 228.0037 130.0 229.0116 4000.0 229.097 250.0 229.1532 170.0 236.0397 120.0 239.0333 250.0 241.0501 440.0 241.1489 130.0 242.0271 490.0 243.0261 5500.0 243.1618 230.0 243.2149 130.0 244.0296 150.0 244.5342 110.0 248.0341 100.0 249.0557 160.0 250.0644 110.0 253.0516 220.0 255.0176 160.0 263.0367 120.0 264.0385 370.0 265.0484 880.0 266.053 710.0 267.0644 1500.0 267.1442 130.0 268.0585 210.0 269.0778 850.0 270.0828 210.0 277.0515 460.0 280.0358 290.0 281.0396 110.0 291.0212 110.0 292.0438 110.0 293.0474 1400.0 295.0596 2000.0 307.016 110.0 308.0682 160.0 309.0751 1100.0 310.0666 140.0 311.0508 1800.0 311.1428 130.0 311.2007 120.0 312.0667 160.0 313.0719 320.0 315.0505 180.0 319.0237 320.0 319.2935 110.0 321.0666 1500.0 321.1879 110.0 322.0404 160.0 323.0539 140.0 325.0764 140.0 334.6611 130.0 335.0524 550.0 336.056 130.0 337.035 17000.0 338.0337 3800.0 338.1963 140.0 338.5046 120.0 338.7775 150.0 339.0481 9500.0 339.7433 140.0 340.9778 120.0 341.2446 120.0 342.0585 110.0 350.0389 190.0 351.0429 230.0 351.1022 100.0 352.0689 130.0 352.9937 100.0 353.0636 2600.0 353.2293 140.0 353.3759 100.0 355.0433 450.0 356.0434 110.0 357.0581 260.0 357.1077 120.0 365.0627 6800.0 365.6506 120.0 365.9554 100.0 366.0716 460.0 413.1014 280.0 417.0885 100.0 431.1084 170.0 451.0691 100.0 457.0799 130.0 475.0981 2600.0 475.2955 120.0 491.0903 310.0 584.0153 170.0 601.9115 140.0 611.125 140.0 966.6287 160.0 982.5776 120.0 END IONS BEGIN IONS SCANS=5760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5781 PEPMASS=343.2106 CHARGE=-1 COLLISION_ENERGY=0.0 80.0242 120.0 85.0675 120.0 86.0241 100.0 95.0492 350.0 101.0604 120.0 114.1191 120.0 115.0739 210.0 127.1171 140.0 134.0634 140.0 153.0902 110.0 166.0222 180.0 171.1072 570.0 172.1098 110.0 180.0404 100.0 209.1139 470.0 209.1587 180.0 210.1227 190.0 211.1437 120.0 212.0346 130.0 229.1421 260.0 343.2109 970.0 344.105 200.0 345.0926 160.0 END IONS BEGIN IONS SCANS=5782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5783 PEPMASS=358.0691 CHARGE=-1 COLLISION_ENERGY=0.0 72.9905 240.0 103.0532 130.0 121.0224 260.0 123.0429 140.0 124.043 150.0 134.0372 340.0 135.0443 1500.0 145.0221 150.0 157.0359 130.0 158.0363 100.0 159.0493 110.0 175.0512 130.0 178.0552 180.0 185.0195 200.0 189.0465 280.0 208.0844 210.0 213.0519 200.0 229.0094 160.0 267.0674 110.0 313.0696 320.0 339.1736 110.0 581.5987 110.0 722.0858 110.0 END IONS BEGIN IONS SCANS=5784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5804 PEPMASS=613.1278 CHARGE=-1 COLLISION_ENERGY=0.0 101.0204 180.0 150.0331 130.0 197.062 180.0 268.0365 590.0 268.0874 170.0 269.0449 7400.0 270.0442 2600.0 270.1572 110.0 270.1985 150.0 270.7378 110.0 271.0421 180.0 577.1573 1400.0 577.3708 100.0 578.1555 550.0 579.1464 130.0 END IONS BEGIN IONS SCANS=5805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5819 PEPMASS=577.152 CHARGE=-1 COLLISION_ENERGY=0.0 63.0254 320.0 107.0133 150.0 118.9953 180.0 161.023 200.0 253.0561 120.0 268.0339 2200.0 269.0421 14000.0 269.5087 110.0 269.6023 130.0 270.0433 1200.0 270.0494 1300.0 270.1111 120.0 270.1184 110.0 271.0447 510.0 323.7681 110.0 368.9978 110.0 577.1531 4200.0 578.1382 290.0 578.1539 1900.0 578.4528 140.0 579.1654 320.0 579.4897 170.0 778.0372 230.0 806.3852 140.0 END IONS BEGIN IONS SCANS=5820 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=5825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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469.0473 150.0 471.0539 210.0 475.6542 100.0 489.0729 350.0 511.1905 190.0 531.0409 450.0 535.0779 170.0 548.275 140.0 551.2421 170.0 599.2314 100.0 621.0874 140.0 623.1107 130.0 667.272 110.0 677.2348 120.0 709.2341 190.0 709.319 150.0 710.3402 170.0 711.0835 290.0 711.1917 120.0 711.3547 180.0 END IONS BEGIN IONS SCANS=6246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6249 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6251 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6252 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6255 PEPMASS=0.0 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105.0284 270.0 132.0197 160.0 366.9198 100.0 END IONS BEGIN IONS SCANS=6488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6490 PEPMASS=197.0436 CHARGE=-1 COLLISION_ENERGY=0.0 134.0395 140.0 135.0437 110.0 727.352 100.0 END IONS BEGIN IONS SCANS=6491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6497 PEPMASS=359.0743 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 2100.0 73.0719 130.0 123.0423 1200.0 124.0494 210.0 133.0276 2300.0 134.037 270.0 135.0427 1700.0 135.0996 150.0 136.0512 270.0 161.022 1700.0 162.0298 140.0 179.0353 490.0 180.0343 160.0 END IONS BEGIN IONS SCANS=6498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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140.0 END IONS BEGIN IONS SCANS=6613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6617 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6621 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6622 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6626 PEPMASS=0.0 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163.6904 120.0 163.8657 120.0 164.7474 110.0 178.0214 180.0 178.4931 180.0 179.0331 19000.0 179.7698 140.0 179.8817 110.0 179.9281 160.0 180.0352 2400.0 180.1344 170.0 180.1577 130.0 180.382 120.0 181.6542 110.0 185.1115 190.0 195.1435 150.0 195.8146 100.0 196.438 100.0 197.0436 37000.0 197.8026 250.0 197.8892 130.0 197.964 170.0 198.048 3300.0 198.1493 230.0 198.2056 140.0 198.3067 150.0 198.3879 130.0 198.6429 100.0 198.877 120.0 231.0245 160.0 251.1052 180.0 293.0419 160.0 293.3128 150.0 315.082 170.0 326.2254 230.0 357.0635 250.0 359.0689 140.0 360.066 150.0 360.193 180.0 524.1487 100.0 922.407 120.0 END IONS BEGIN IONS SCANS=6669 PEPMASS=417.0318 CHARGE=-1 COLLISION_ENERGY=0.0 69.0422 180.0 72.9956 110.0 73.0206 110.0 117.0307 150.0 133.0287 110.0 134.036 200.0 135.0427 2600.0 135.1504 150.0 136.0464 300.0 157.0325 110.0 161.0198 480.0 173.0193 190.0 179.0328 590.0 192.9763 110.0 197.028 110.0 198.0367 110.0 201.0152 220.0 219.0276 350.0 239.1364 100.0 243.7854 170.0 277.0399 130.0 285.0412 140.0 END IONS BEGIN IONS SCANS=6670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6678 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6683 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6687 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6690 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6691 PEPMASS=395.0541 CHARGE=-1 COLLISION_ENERGY=0.0 72.9924 3500.0 86.6064 160.0 105.0306 290.0 117.0305 260.0 123.0457 1100.0 133.0282 1700.0 133.0854 140.0 134.0309 600.0 135.045 2800.0 135.1021 290.0 135.951 100.0 136.0495 140.0 159.4892 110.0 161.0217 18000.0 162.0272 2000.0 162.0917 110.0 162.1378 100.0 162.8386 120.0 163.0324 340.0 179.0339 2200.0 180.0333 640.0 196.0993 120.0 197.0424 4200.0 197.1678 240.0 197.9826 150.0 198.0454 280.0 199.0442 100.0 234.9958 170.0 337.0622 120.0 359.0731 580.0 360.0805 420.0 395.0687 110.0 609.2772 120.0 724.4327 100.0 END IONS BEGIN IONS SCANS=6692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6693 PEPMASS=741.1476 CHARGE=-1 COLLISION_ENERGY=0.0 124.0493 180.0 135.0447 1200.0 157.0272 260.0 161.025 940.0 162.0357 100.0 179.0368 3900.0 180.0362 680.0 180.075 130.0 180.1771 110.0 197.0487 520.0 198.0502 180.0 201.0185 1700.0 201.0898 150.0 202.015 270.0 219.0286 3500.0 219.4164 120.0 220.0344 350.0 322.0481 170.0 359.0737 290.0 360.0845 110.0 381.0669 1400.0 381.1889 120.0 382.0749 480.0 561.1014 100.0 END IONS BEGIN IONS SCANS=6694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6701 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6706 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6730 PEPMASS=395.0502 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 5900.0 73.0364 200.0 73.0712 330.0 77.0418 190.0 93.0355 130.0 107.0514 330.0 109.0299 130.0 123.0446 2000.0 124.013 100.0 124.0473 140.0 133.0278 3500.0 133.0645 260.0 133.1134 150.0 134.0324 1100.0 134.0648 120.0 135.0436 3600.0 136.05 200.0 151.0377 430.0 161.0223 23000.0 161.1313 340.0 162.0245 1800.0 162.0843 110.0 163.0231 110.0 178.0289 100.0 179.0341 2700.0 195.0262 240.0 197.0371 160.0 197.0435 3500.0 197.3711 100.0 198.0471 460.0 198.5094 130.0 198.5594 140.0 199.0427 150.0 205.7929 120.0 219.06 110.0 231.024 180.0 277.1502 100.0 358.0619 310.0 359.0737 930.0 END IONS BEGIN IONS SCANS=6731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6739 PEPMASS=717.1491 CHARGE=-1 COLLISION_ENERGY=0.0 61.8629 110.0 72.9951 2100.0 73.0392 110.0 77.0411 200.0 96.0536 130.0 105.0337 500.0 106.039 160.0 108.0219 150.0 109.0312 110.0 109.0403 110.0 123.0467 1000.0 123.098 130.0 132.0281 200.0 133.0286 2800.0 133.0871 160.0 133.8657 160.0 135.0445 3200.0 151.0405 2200.0 152.0443 870.0 160.6962 130.0 161.0231 50000.0 161.1389 3400.0 161.6166 180.0 161.9733 110.0 162.0269 4400.0 162.1389 250.0 162.1451 150.0 162.3905 140.0 162.659 140.0 162.8794 140.0 174.0233 110.0 177.0201 1000.0 178.0243 310.0 179.0352 7300.0 179.1221 250.0 179.6909 130.0 180.0375 910.0 195.0346 120.0 195.9814 110.0 197.0455 16000.0 197.1736 340.0 198.0476 720.0 198.053 310.0 198.0847 170.0 198.245 130.0 199.0479 100.0 223.0219 120.0 229.0014 140.0 245.041 120.0 313.0731 150.0 317.469 100.0 321.0532 140.0 323.0451 120.0 339.0458 290.0 339.0556 220.0 340.046 130.0 357.0636 170.0 359.0702 1100.0 359.115 130.0 360.0732 200.0 365.0733 110.0 475.0952 130.0 495.1411 120.0 557.2899 120.0 END IONS BEGIN IONS SCANS=6740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6741 PEPMASS=357.0585 CHARGE=-1 COLLISION_ENERGY=0.0 65.0048 220.0 72.9936 30000.0 73.0717 1800.0 73.3799 180.0 73.4895 100.0 73.5834 120.0 73.69 120.0 74.0021 710.0 74.4294 110.0 75.0025 210.0 77.0439 670.0 79.0184 200.0 79.0563 900.0 81.035 280.0 89.0376 260.0 91.0589 330.0 95.0152 120.0 95.0518 380.0 99.0114 180.0 104.0273 420.0 105.0368 870.0 106.0431 210.0 107.0173 110.0 107.05 1200.0 107.1422 110.0 108.02 250.0 108.0516 150.0 109.0307 1300.0 110.0341 110.0 115.0195 400.0 121.0275 330.0 122.0359 600.0 122.1005 110.0 122.1343 100.0 123.0448 20000.0 123.6904 210.0 123.8975 130.0 124.0475 1400.0 124.1523 120.0 124.7823 110.0 125.0184 270.0 131.0507 120.0 132.0211 2700.0 132.1272 120.0 132.965 200.0 133.0289 44000.0 133.7326 130.0 133.8586 210.0 133.9635 100.0 134.0339 5800.0 134.1393 360.0 134.2968 180.0 134.824 110.0 135.0443 45000.0 135.6856 170.0 135.8086 120.0 135.9567 130.0 136.0475 2900.0 136.1077 320.0 136.151 200.0 136.1962 120.0 136.2408 120.0 136.2795 160.0 136.3242 130.0 136.6114 140.0 137.0495 200.0 149.0234 200.0 149.0546 150.0 150.0277 260.0 151.0368 1400.0 151.1027 120.0 152.0454 220.0 157.0281 140.0 159.6929 120.0 160.0079 140.0 160.2802 100.0 160.9245 180.0 161.0228 48000.0 161.6378 190.0 161.8189 100.0 162.0273 3500.0 162.0817 440.0 162.1183 210.0 162.1702 170.0 162.2475 150.0 162.2868 130.0 163.0274 490.0 163.6296 140.0 179.0325 8600.0 180.0353 740.0 180.0862 150.0 180.11 110.0 181.0315 270.0 185.1122 120.0 186.0648 110.0 196.0472 200.0 197.0437 1100.0 207.0217 150.0 207.0864 190.0 240.0356 120.0 254.0375 230.0 270.1079 210.0 662.2261 120.0 856.7042 260.0 END IONS BEGIN IONS SCANS=6742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6749 PEPMASS=719.1651 CHARGE=-1 COLLISION_ENERGY=0.0 72.9939 510.0 89.0064 260.0 133.0288 270.0 134.0356 100.0 135.0467 380.0 151.0388 110.0 151.0437 100.0 161.0264 16000.0 161.1401 520.0 162.028 1800.0 162.431 100.0 163.0319 170.0 179.0382 1200.0 180.0467 150.0 181.04 140.0 197.0484 5100.0 197.1711 190.0 198.0486 490.0 199.053 170.0 223.0243 120.0 223.0314 160.0 315.0665 140.0 359.084 10000.0 359.2558 680.0 360.0882 2400.0 360.2542 230.0 360.3148 110.0 360.8503 110.0 361.0877 570.0 END IONS BEGIN IONS SCANS=6750 PEPMASS=720.1689 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 240.0 123.0474 240.0 133.026 180.0 135.0458 360.0 136.0542 170.0 161.0238 6500.0 162.0261 2300.0 162.363 120.0 162.6019 130.0 163.0251 420.0 179.0347 390.0 180.0335 580.0 197.0437 2000.0 198.0436 650.0 359.0793 120.0 360.0727 110.0 438.291 110.0 END IONS BEGIN IONS SCANS=6751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6767 PEPMASS=197.0447 CHARGE=-1 COLLISION_ENERGY=0.0 67.0519 130.0 106.0426 110.0 122.0394 250.0 431.8819 140.0 END IONS BEGIN IONS SCANS=6768 PEPMASS=359.0753 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 3300.0 73.9926 140.0 89.0377 100.0 93.0302 130.0 94.3769 130.0 104.0278 140.0 107.0516 250.0 109.0283 880.0 115.0179 110.0 116.0162 150.0 123.0451 3400.0 123.1434 180.0 124.0449 120.0 124.049 200.0 132.0175 330.0 132.6362 110.0 133.0278 5500.0 133.1349 360.0 133.293 130.0 134.0368 1100.0 135.0435 5200.0 135.1372 140.0 136.0495 330.0 136.8058 130.0 151.0393 190.0 160.018 130.0 161.0225 6700.0 161.1356 230.0 161.4807 100.0 162.022 320.0 162.0271 560.0 162.0612 120.0 179.0325 960.0 179.0702 160.0 899.768 160.0 END IONS BEGIN IONS SCANS=6769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6783 PEPMASS=313.0687 CHARGE=-1 COLLISION_ENERGY=0.0 104.0203 110.0 105.0339 240.0 122.033 210.0 132.0195 380.0 133.0256 2000.0 133.5899 110.0 134.0278 340.0 150.0264 170.0 161.0214 1000.0 163.0285 250.0 END IONS BEGIN IONS SCANS=6784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6785 PEPMASS=161.0234 CHARGE=-1 COLLISION_ENERGY=0.0 89.0393 180.0 105.0312 110.0 115.0217 150.0 132.0205 810.0 133.0266 2300.0 133.0948 180.0 133.1328 140.0 133.2267 120.0 134.036 120.0 161.0166 210.0 END IONS BEGIN IONS SCANS=6786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6820 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6833 PEPMASS=395.0517 CHARGE=-1 COLLISION_ENERGY=0.0 72.9944 1900.0 73.9974 120.0 123.0446 1400.0 123.148 110.0 124.0424 180.0 133.0292 2500.0 133.0892 210.0 133.6309 140.0 135.0446 3000.0 135.0743 150.0 135.1538 160.0 135.2815 210.0 151.0414 140.0 152.8882 150.0 161.0244 18000.0 161.8457 110.0 162.0282 1700.0 162.0587 170.0 162.0922 120.0 163.0272 100.0 163.9521 110.0 179.0352 2900.0 179.1077 130.0 180.033 550.0 180.0429 290.0 197.0451 4300.0 197.0895 100.0 198.0506 340.0 199.06 140.0 210.9818 100.0 223.0214 160.0 359.0779 750.0 360.085 340.0 590.6196 100.0 END IONS BEGIN IONS SCANS=6834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6870 PEPMASS=359.0766 CHARGE=-1 COLLISION_ENERGY=0.0 72.9947 3800.0 73.0718 240.0 77.0407 260.0 105.0347 250.0 107.0475 340.0 109.0295 110.0 123.0473 1000.0 124.0505 440.0 132.0181 290.0 133.0314 4400.0 134.0378 690.0 135.0467 3600.0 135.152 200.0 136.0566 390.0 161.0261 5900.0 161.1412 370.0 162.0291 280.0 162.6757 130.0 163.0324 160.0 179.0366 320.0 197.0456 120.0 END IONS BEGIN IONS SCANS=6871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6873 PEPMASS=719.1637 CHARGE=-1 COLLISION_ENERGY=0.0 133.0277 130.0 161.0234 2300.0 162.0258 270.0 179.0318 180.0 197.0415 580.0 198.0568 190.0 224.0275 180.0 313.0677 170.0 359.0809 6500.0 359.7889 100.0 360.0857 1300.0 361.0885 470.0 362.1016 140.0 719.1472 100.0 END IONS BEGIN IONS SCANS=6874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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314.9555 100.0 341.1492 240.0 357.0677 290.0 359.0777 580.0 360.0817 120.0 END IONS BEGIN IONS SCANS=6889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=6894 PEPMASS=741.1392 CHARGE=-1 COLLISION_ENERGY=0.0 134.0358 150.0 161.0236 250.0 179.0303 1300.0 180.0317 160.0 201.0161 560.0 201.0697 110.0 219.0278 520.0 337.0575 110.0 359.0687 390.0 381.0569 3900.0 382.0606 700.0 383.0484 250.0 384.0412 260.0 414.3686 130.0 417.0726 130.0 579.1064 430.0 580.1077 200.0 741.1351 2100.0 741.3905 100.0 742.139 1100.0 743.1419 170.0 744.1204 120.0 END IONS BEGIN IONS SCANS=6895 PEPMASS=742.1421 CHARGE=-1 COLLISION_ENERGY=0.0 161.022 110.0 178.0184 120.0 179.0359 210.0 180.0356 280.0 201.0171 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197.0443 130.0 202.0514 150.0 223.0673 110.0 257.0491 160.0 265.0339 230.0 269.0627 130.0 278.0552 120.0 279.0652 230.0 295.0601 130.0 296.0607 130.0 308.0265 250.0 323.0467 100.0 795.8125 110.0 END IONS BEGIN IONS SCANS=7076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7079 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7085 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7086 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7087 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7088 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7089 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7095 PEPMASS=199.0959 CHARGE=-1 COLLISION_ENERGY=0.0 71.0144 160.0 72.9909 220.0 120.9515 110.0 156.1051 280.0 156.1402 110.0 253.0282 120.0 811.7418 160.0 END IONS BEGIN IONS SCANS=7096 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7097 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7098 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7099 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7100 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7101 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7102 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7105 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7106 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7107 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7108 PEPMASS=599.1831 CHARGE=-1 COLLISION_ENERGY=0.0 135.0449 130.0 201.32 150.0 473.0873 140.0 539.2264 100.0 573.0945 130.0 599.1846 180.0 601.8388 110.0 END IONS BEGIN IONS SCANS=7109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7110 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7111 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7112 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7113 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7114 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7115 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7116 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7117 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7118 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7119 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7121 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7122 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7123 PEPMASS=609.2159 CHARGE=-1 COLLISION_ENERGY=0.0 101.0223 250.0 127.0423 120.0 137.0221 110.0 199.1273 200.0 252.0383 220.0 300.0266 180.0 321.0388 110.0 341.1318 150.0 END IONS BEGIN IONS SCANS=7124 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7125 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7126 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7127 PEPMASS=527.2533 CHARGE=-1 COLLISION_ENERGY=0.0 128.0452 120.0 132.0383 110.0 134.0439 160.0 141.0234 210.0 179.1465 100.0 201.1097 110.0 240.929 190.0 273.0832 120.0 297.0806 100.0 END IONS BEGIN IONS SCANS=7128 PEPMASS=569.1755 CHARGE=-1 COLLISION_ENERGY=0.0 71.0122 130.0 135.0437 140.0 146.4281 130.0 152.0319 190.0 161.0477 170.0 174.9522 340.0 179.0355 210.0 270.0908 140.0 305.1749 100.0 345.1106 150.0 345.599 130.0 425.1314 130.0 549.1663 150.0 END IONS BEGIN IONS SCANS=7129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7131 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7134 PEPMASS=365.079 CHARGE=-1 COLLISION_ENERGY=0.0 75.009 110.0 97.0605 140.0 120.0536 150.0 164.9274 130.0 180.0287 110.0 186.0613 140.0 236.0974 120.0 265.049 270.0 269.0554 100.0 501.6547 190.0 502.9738 180.0 615.8208 170.0 END IONS BEGIN IONS SCANS=7135 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7137 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7138 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7139 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7141 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7145 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7146 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7149 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7151 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7157 PEPMASS=983.2809 CHARGE=-1 COLLISION_ENERGY=0.0 119.0477 110.0 144.0444 150.0 145.0283 680.0 146.0221 100.0 163.0398 880.0 193.0423 120.0 235.0654 130.0 243.0312 180.0 265.066 260.0 307.0837 180.0 323.1093 160.0 335.0414 140.0 339.0915 170.0 341.1072 340.0 342.0977 190.0 349.0637 320.0 349.1227 230.0 366.0652 130.0 367.0766 930.0 368.0732 260.0 369.1036 130.0 387.1001 100.0 391.1122 120.0 406.1413 130.0 435.1217 200.0 439.0977 100.0 469.1378 1300.0 470.1436 480.0 471.1367 240.0 477.0014 140.0 511.1187 550.0 523.0538 120.0 585.9608 140.0 609.1395 100.0 629.181 140.0 647.1988 130.0 714.1559 210.0 741.0911 150.0 793.2396 1700.0 793.4393 120.0 794.2467 430.0 795.2236 150.0 796.0353 130.0 796.234 230.0 837.2268 1200.0 838.226 650.0 839.2321 490.0 939.2883 130.0 954.2997 100.0 983.2724 550.0 984.2872 360.0 985.3123 210.0 END IONS BEGIN IONS SCANS=7158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7163 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7165 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7166 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7167 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7168 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7170 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7171 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7172 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7173 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7174 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7175 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7177 PEPMASS=651.1564 CHARGE=-1 COLLISION_ENERGY=0.0 61.5971 120.0 67.0176 150.0 72.9937 120.0 89.021 170.0 89.0306 130.0 101.0213 150.0 131.0309 150.0 135.043 170.0 141.0153 180.0 150.993 100.0 166.0248 140.0 169.0685 100.0 178.9874 110.0 184.041 130.0 187.0381 130.0 189.0143 120.0 192.0058 130.0 195.9054 180.0 213.048 150.0 213.0544 320.0 239.0422 110.0 240.0321 260.0 241.0429 230.0 241.0525 400.0 255.019 260.0 255.0374 210.0 268.0316 170.0 271.0152 280.0 277.0929 100.0 279.065 200.0 280.9998 130.0 281.0614 100.0 283.0168 790.0 283.0293 310.0 284.0281 1800.0 284.0782 110.0 285.0396 23000.0 285.1352 130.0 285.1941 180.0 285.7286 110.0 286.0271 150.0 286.0435 3900.0 286.4276 150.0 287.0483 850.0 300.025 1100.0 301.032 280.0 335.0212 110.0 366.0726 140.0 388.2178 100.0 429.0735 620.0 429.089 1000.0 430.0854 310.0 439.1467 100.0 449.0986 160.0 522.2169 210.0 574.1301 110.0 584.3504 160.0 651.1554 8000.0 651.3464 190.0 652.1619 2900.0 652.3235 110.0 652.3967 310.0 652.4104 300.0 652.4681 120.0 653.0148 110.0 653.1519 1100.0 653.3602 140.0 654.1599 370.0 654.1952 200.0 654.2396 100.0 677.0271 100.0 677.2182 110.0 END IONS BEGIN IONS SCANS=7178 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7179 PEPMASS=709.1178 CHARGE=-1 COLLISION_ENERGY=0.0 73.0304 230.0 99.0029 260.0 135.046 110.0 162.0313 210.0 177.0206 110.0 191.0568 310.0 215.0542 260.0 223.0583 160.0 226.9789 110.0 233.088 110.0 259.076 200.0 267.0603 100.0 277.0497 120.0 282.0681 150.0 283.0266 180.0 285.0388 3000.0 285.189 180.0 285.4225 110.0 285.5189 110.0 286.0415 590.0 286.1163 110.0 286.3535 100.0 287.325 100.0 289.0588 120.0 307.0208 110.0 311.0027 210.0 313.0424 170.0 326.001 120.0 337.0314 210.0 339.0416 120.0 369.0376 170.0 384.1137 150.0 429.091 280.0 437.5388 130.0 469.0721 370.0 470.0929 230.0 472.0663 110.0 479.1643 170.0 591.1357 140.0 605.3549 110.0 651.1453 310.0 652.1707 160.0 END IONS BEGIN IONS SCANS=7180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7181 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7184 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7187 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7191 PEPMASS=607.2031 CHARGE=-1 COLLISION_ENERGY=0.0 179.027 240.0 291.8306 140.0 296.0948 120.0 339.1196 390.0 339.1766 120.0 340.1219 210.0 361.135 110.0 433.1761 120.0 610.6801 100.0 END IONS BEGIN IONS SCANS=7192 PEPMASS=652.1597 CHARGE=-1 COLLISION_ENERGY=0.0 73.0274 270.0 74.0364 120.0 161.0225 120.0 164.9716 190.0 172.0439 110.0 185.0576 150.0 186.0529 130.0 201.064 170.0 214.061 160.0 216.0292 210.0 242.0388 150.0 274.0368 110.0 283.0138 140.0 284.0238 370.0 285.0375 2800.0 286.0408 3000.0 287.0439 600.0 301.0138 140.0 307.0632 160.0 313.2461 210.0 330.0572 120.0 429.0758 320.0 430.0754 150.0 431.0813 160.0 611.1379 140.0 END IONS BEGIN IONS SCANS=7193 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7195 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7196 PEPMASS=463.0886 CHARGE=-1 COLLISION_ENERGY=0.0 71.0191 120.0 91.0548 110.0 93.0305 110.0 96.9564 170.0 107.0073 180.0 108.0139 110.0 111.0083 150.0 117.0277 160.0 130.0858 100.0 135.0425 340.0 149.0242 170.0 150.025 170.0 150.9991 420.0 151.0328 320.0 151.9992 270.0 152.0157 110.0 159.0376 170.0 171.041 230.0 172.9728 150.0 192.0617 190.0 227.027 160.0 241.0581 110.0 284.0528 890.0 284.107 130.0 301.0312 6200.0 301.1831 180.0 301.194 110.0 302.033 1100.0 303.0274 140.0 323.0767 120.0 325.0523 120.0 337.1614 110.0 338.0685 140.0 344.1594 160.0 362.0774 120.0 385.0576 130.0 388.0998 150.0 398.1097 110.0 414.148 130.0 421.1511 120.0 463.0796 280.0 464.0815 290.0 END IONS BEGIN IONS SCANS=7197 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7198 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7199 PEPMASS=597.1748 CHARGE=-1 COLLISION_ENERGY=0.0 151.0753 130.0 179.0349 110.0 197.041 110.0 215.1049 130.0 272.0662 120.0 339.1017 200.0 353.0576 110.0 379.0674 140.0 417.0753 110.0 533.2264 120.0 END IONS BEGIN IONS SCANS=7200 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7215 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7216 PEPMASS=347.2417 CHARGE=-1 COLLISION_ENERGY=0.0 113.0967 240.0 127.0718 280.0 130.9629 320.0 141.0886 110.0 143.113 160.0 151.0785 190.0 165.0924 120.0 171.0947 160.0 188.0705 120.0 201.1071 130.0 297.2033 170.0 301.2016 130.0 347.2436 370.0 347.7257 100.0 END IONS BEGIN IONS SCANS=7217 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7218 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7219 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7220 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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PEPMASS=397.1132 CHARGE=-1 COLLISION_ENERGY=0.0 71.0129 130.0 73.9943 160.0 96.044 110.0 108.0203 1200.0 108.0524 270.0 109.0304 560.0 123.0421 600.0 123.0712 140.0 135.0428 460.0 136.0368 150.0 152.0062 690.0 152.9882 120.0 154.0252 150.0 181.0279 140.0 191.1014 120.0 224.9752 120.0 225.017 120.0 269.083 130.0 END IONS BEGIN IONS SCANS=7231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7240 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61.9889 130.0 134.9314 130.0 143.039 200.0 171.0586 110.0 189.0217 100.0 195.0473 210.0 299.0969 130.0 307.0191 110.0 307.0872 180.0 326.1102 130.0 331.0208 120.0 397.1364 120.0 END IONS BEGIN IONS SCANS=7254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7256 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7259 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7266 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7267 PEPMASS=397.1123 CHARGE=-1 COLLISION_ENERGY=0.0 71.0124 170.0 72.9958 180.0 79.9572 140.0 81.0321 180.0 99.0517 140.0 108.0229 1700.0 108.1165 140.0 109.029 1100.0 110.0306 120.0 121.0287 110.0 128.8988 120.0 133.0352 140.0 137.7105 160.0 148.0473 150.0 152.0094 530.0 152.9975 140.0 159.0365 180.0 161.0194 120.0 196.0931 150.0 364.1282 130.0 END IONS BEGIN IONS SCANS=7268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7274 PEPMASS=0.0 CHARGE=1 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110.0 135.0395 240.0 151.0347 300.0 180.0604 100.0 193.0609 240.0 195.0823 140.0 197.0571 340.0 208.0381 110.0 209.0573 360.0 210.0328 140.0 212.2381 100.0 213.0384 160.0 224.043 300.0 225.0568 200.0 237.0554 120.0 238.0148 110.0 252.0393 330.0 253.0447 740.0 255.0426 140.0 265.0449 290.0 281.0405 110.0 END IONS BEGIN IONS SCANS=7288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7292 PEPMASS=879.1984 CHARGE=-1 COLLISION_ENERGY=0.0 107.0496 110.0 150.0224 200.0 179.0507 110.0 185.0228 220.0 197.0419 280.0 276.0389 190.0 277.0388 110.0 280.0314 180.0 294.0379 210.0 295.0641 140.0 304.1178 110.0 321.0382 780.0 322.0415 480.0 339.047 1000.0 339.196 110.0 457.1096 790.0 460.4387 110.0 483.0903 1400.0 483.2088 110.0 484.0958 650.0 485.0881 180.0 501.1012 860.0 503.1131 110.0 519.0872 230.0 520.1015 130.0 525.0726 170.0 598.129 100.0 641.0331 100.0 663.038 160.0 665.066 140.0 681.1496 620.0 682.1295 140.0 699.1638 160.0 721.0977 120.0 753.0181 140.0 838.2178 120.0 846.0797 100.0 923.9378 110.0 END IONS BEGIN IONS SCANS=7293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7296 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7299 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7303 PEPMASS=365.078 CHARGE=-1 COLLISION_ENERGY=0.0 98.0238 110.0 130.9635 170.0 135.0423 120.0 136.0444 210.0 219.0463 130.0 241.0471 110.0 251.039 120.0 253.0232 170.0 265.053 180.0 281.0496 150.0 END IONS BEGIN IONS SCANS=7304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7305 PEPMASS=983.2819 CHARGE=-1 COLLISION_ENERGY=0.0 101.0204 180.0 119.0531 270.0 145.0271 2100.0 161.0185 150.0 163.0375 630.0 227.9959 130.0 235.0573 310.0 243.032 210.0 265.0791 200.0 283.0881 150.0 321.0356 120.0 323.0871 170.0 327.0938 160.0 335.0581 130.0 339.0891 210.0 341.0987 130.0 341.1476 140.0 349.0627 380.0 352.0402 100.0 365.0589 210.0 366.0771 140.0 367.0817 1400.0 367.1529 230.0 368.0819 510.0 379.1167 160.0 413.1306 120.0 421.1048 180.0 439.0992 110.0 439.1706 120.0 441.0845 170.0 469.13 1500.0 469.2358 150.0 470.1495 140.0 497.1112 180.0 511.1098 360.0 512.1309 110.0 629.2303 110.0 647.2149 250.0 674.1621 150.0 785.444 110.0 793.2344 1700.0 794.2372 1500.0 794.5023 140.0 795.2253 320.0 837.2299 1200.0 837.4149 100.0 838.2193 560.0 839.2326 370.0 839.7368 110.0 955.2848 190.0 983.2752 740.0 984.2892 380.0 END IONS BEGIN IONS SCANS=7306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7307 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7310 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7317 PEPMASS=537.283 CHARGE=-1 COLLISION_ENERGY=0.0 109.0265 190.0 179.0306 110.0 186.0282 200.0 191.0565 110.0 265.0518 190.0 337.1184 200.0 353.026 190.0 359.0787 130.0 363.1564 180.0 370.0639 100.0 475.0776 130.0 493.0534 130.0 537.2898 480.0 537.7839 130.0 END IONS BEGIN IONS SCANS=7318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7324 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7328 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373.2965 150.0 374.0877 660.0 374.1614 110.0 391.0751 200.0 429.2178 150.0 457.1673 150.0 466.1583 130.0 470.2202 130.0 518.2133 110.0 535.1295 510.0 535.287 240.0 536.148 230.0 536.2719 110.0 537.2351 390.0 537.3185 360.0 538.208 130.0 538.3156 150.0 687.462 190.0 END IONS BEGIN IONS SCANS=7364 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7367 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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249.044 210.0 253.1067 120.0 266.0541 290.0 271.0877 120.0 281.0787 290.0 283.0847 220.0 309.0781 360.0 311.0389 150.0 320.0685 150.0 323.0383 120.0 323.0869 140.0 325.0609 140.0 334.0434 120.0 335.0874 170.0 336.037 150.0 339.0475 230.0 350.0421 360.0 351.083 150.0 352.045 120.0 353.0639 1400.0 365.0638 490.0 366.0574 350.0 367.0806 1100.0 368.0791 310.0 489.1161 500.0 489.1778 260.0 490.1326 200.0 679.9266 120.0 930.0617 110.0 END IONS BEGIN IONS SCANS=7380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7387 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7400 PEPMASS=557.3025 CHARGE=-1 COLLISION_ENERGY=0.0 61.9875 160.0 69.204 120.0 328.2172 120.0 377.1516 100.0 396.1125 200.0 423.1585 100.0 424.8214 170.0 468.5975 110.0 469.2176 120.0 483.2202 150.0 513.0947 110.0 521.5994 130.0 523.3464 120.0 524.3231 200.0 557.3024 420.0 558.3008 460.0 559.316 1500.0 559.4574 110.0 560.3189 460.0 561.3165 380.0 985.7789 110.0 END IONS BEGIN IONS SCANS=7401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7408 PEPMASS=681.168 CHARGE=-1 COLLISION_ENERGY=0.0 65.001 150.0 82.5804 110.0 93.0353 130.0 108.0199 110.0 109.9991 200.0 110.0053 150.0 113.2046 120.0 161.0231 170.0 163.0409 110.0 165.019 150.0 165.0494 140.0 179.0377 110.0 185.0246 160.0 191.0517 120.0 197.0447 280.0 266.0699 150.0 271.0162 110.0 279.0334 170.0 281.0671 100.0 283.0592 110.0 285.0397 100.0 298.007 330.0 299.0126 340.0 299.019 540.0 299.9419 100.0 300.0263 6400.0 300.1145 180.0 300.1306 120.0 300.1794 300.0 300.5038 120.0 301.0202 190.0 301.0321 370.0 313.0414 110.0 313.0656 160.0 314.0346 450.0 314.0466 370.0 314.0584 200.0 315.0491 14000.0 315.2105 190.0 315.235 120.0 315.2727 130.0 316.0523 3300.0 316.1024 210.0 317.0479 170.0 317.0579 400.0 320.0264 160.0 329.0405 100.0 341.1785 120.0 351.2114 140.0 357.0267 140.0 381.0496 140.0 402.2581 120.0 413.0629 110.0 444.0077 130.0 459.0893 280.0 477.0859 230.0 562.1046 140.0 570.6973 100.0 624.1489 100.0 639.1525 250.0 640.1966 100.0 646.3322 120.0 654.2322 120.0 681.1431 290.0 681.1662 2600.0 681.4176 170.0 682.1705 980.0 682.3473 260.0 683.1756 320.0 683.4085 180.0 683.5175 160.0 684.3464 120.0 975.5456 120.0 END IONS BEGIN IONS SCANS=7409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7411 PEPMASS=489.1 CHARGE=-1 COLLISION_ENERGY=0.0 95.0783 200.0 108.0211 140.0 109.0314 850.0 130.9659 100.0 135.0438 220.0 142.9399 160.0 151.0364 270.0 159.0414 190.0 179.0368 160.0 185.0234 910.0 185.0872 120.0 187.0401 110.0 197.0438 230.0 197.1163 100.0 211.0359 210.0 216.0353 130.0 227.0344 550.0 228.0376 260.0 229.0411 190.0 230.0481 130.0 247.0287 130.0 248.0378 190.0 253.0484 140.0 255.0274 2400.0 255.1162 140.0 255.1761 130.0 256.0256 580.0 257.041 380.0 263.0261 190.0 264.0715 170.0 265.0434 180.0 266.049 120.0 267.058 360.0 276.0407 150.0 280.0375 330.0 284.0302 1900.0 284.13 130.0 285.0361 750.0 285.0816 200.0 293.0455 150.0 297.0357 170.0 304.051 150.0 311.0358 150.0 330.856 110.0 392.0064 130.0 915.2225 120.0 969.0049 120.0 END IONS BEGIN IONS SCANS=7412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7423 PEPMASS=345.2245 CHARGE=-1 COLLISION_ENERGY=0.0 73.0305 170.0 94.9217 120.0 113.0911 130.0 123.0763 140.0 127.1094 260.0 131.077 180.0 201.1125 160.0 204.1322 160.0 END IONS BEGIN IONS SCANS=7424 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7428 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7432 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7434 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7443 PEPMASS=513.207 CHARGE=-1 COLLISION_ENERGY=0.0 71.0508 110.0 85.028 120.0 93.5147 110.0 99.0046 180.0 122.0321 100.0 149.0229 120.0 157.5803 100.0 267.079 100.0 275.083 140.0 318.1871 140.0 338.5712 100.0 593.9358 130.0 END IONS BEGIN IONS SCANS=7444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7445 PEPMASS=525.2425 CHARGE=-1 COLLISION_ENERGY=0.0 70.2815 110.0 101.0263 160.0 107.0868 160.0 132.0197 130.0 135.0467 160.0 167.1054 190.0 211.1327 150.0 212.0379 140.0 219.1319 150.0 220.0265 210.0 327.2069 230.0 382.0791 130.0 459.5703 220.0 END IONS BEGIN IONS SCANS=7446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7457 PEPMASS=493.1139 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 700.0 73.014 100.0 85.0298 110.0 108.0205 310.0 109.0293 3400.0 110.0342 410.0 121.0258 150.0 123.0744 150.0 129.0334 160.0 135.0455 570.0 137.0586 200.0 146.0259 480.0 159.0444 890.0 173.0257 450.0 179.0335 750.0 183.0046 110.0 185.0218 2900.0 186.0317 510.0 187.0315 370.0 187.1018 210.0 195.0522 120.0 197.0416 470.0 197.0745 130.0 204.0295 200.0 204.8279 190.0 221.0561 120.0 224.0501 140.0 241.0795 130.0 248.0468 140.0 249.0576 110.0 252.0415 170.0 259.9863 110.0 265.0352 110.0 268.0754 130.0 277.0587 230.0 278.0534 410.0 279.0548 120.0 293.0441 400.0 295.0597 170.0 295.0708 370.0 305.0742 110.0 357.0551 170.0 END IONS BEGIN IONS SCANS=7458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7465 PEPMASS=477.2298 CHARGE=-1 COLLISION_ENERGY=0.0 71.0115 170.0 73.0254 320.0 85.0301 100.0 89.0241 390.0 101.024 370.0 112.9877 380.0 113.0209 130.0 119.0318 140.0 162.0502 260.0 175.0212 130.0 208.9487 220.0 214.9941 140.0 221.0609 380.0 239.1298 110.0 268.1201 100.0 277.0997 190.0 308.1209 160.0 311.1395 100.0 313.0509 120.0 323.042 200.0 329.182 110.0 335.2043 270.0 340.4964 220.0 343.1983 300.0 365.1776 170.0 366.1825 110.0 385.1411 210.0 387.1182 100.0 477.0974 170.0 477.2314 200.0 478.1746 110.0 480.2223 160.0 END IONS BEGIN IONS SCANS=7466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7470 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269.0805 270.0 291.0662 1700.0 292.058 350.0 293.0663 250.0 295.0587 110.0 301.0674 260.0 337.0314 120.0 357.1203 130.0 382.0117 110.0 END IONS BEGIN IONS SCANS=7474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7485 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7502 PEPMASS=719.1603 CHARGE=-1 COLLISION_ENERGY=0.0 115.0048 240.0 135.0424 500.0 135.0822 120.0 151.0372 210.0 162.0258 170.0 179.0342 270.0 183.9556 200.0 197.0462 700.0 198.0249 180.0 216.0437 100.0 219.0288 270.0 220.0524 100.0 231.0288 150.0 240.0644 200.0 242.0593 200.0 243.0657 410.0 244.0351 120.0 254.0544 160.0 255.102 110.0 267.0652 270.0 269.0844 110.0 271.0971 690.0 272.1005 170.0 279.0677 360.0 281.044 180.0 285.0614 150.0 295.0547 340.0 296.0673 140.0 297.078 1300.0 298.0824 320.0 299.0229 110.0 299.081 130.0 300.027 200.0 313.067 300.0 315.0522 1500.0 323.0659 270.0 335.0444 130.0 341.0708 410.0 359.0763 270.0 681.1621 100.0 END IONS BEGIN IONS SCANS=7503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7504 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7520 PEPMASS=559.0822 CHARGE=-1 COLLISION_ENERGY=0.0 60.1093 110.0 93.0386 130.0 102.9523 130.0 109.0301 980.0 110.0348 230.0 135.0363 260.0 147.0407 730.0 159.0463 620.0 173.0197 370.0 185.0142 180.0 219.0208 100.0 225.0108 100.0 233.0869 120.0 238.8971 270.0 249.0096 120.0 257.0898 150.0 262.1206 200.0 267.0586 150.0 268.0688 180.0 291.0627 1900.0 291.1467 190.0 291.8453 160.0 292.0675 440.0 295.0581 230.0 296.0665 250.0 335.0515 120.0 353.994 110.0 END IONS BEGIN IONS SCANS=7521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7526 PEPMASS=483.2002 CHARGE=-1 COLLISION_ENERGY=0.0 109.0328 120.0 148.9988 110.0 160.0445 130.0 164.0459 170.0 193.0353 170.0 266.0484 100.0 285.0311 240.0 295.0024 110.0 END IONS BEGIN IONS SCANS=7527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7542 PEPMASS=717.1474 CHARGE=-1 COLLISION_ENERGY=0.0 71.0163 120.0 109.0298 310.0 123.0451 110.0 133.0275 110.0 135.0524 120.0 161.0341 250.0 171.0456 120.0 179.0321 270.0 197.046 200.0 203.0302 540.0 215.0323 220.0 226.9916 120.0 229.0101 920.0 230.0169 390.0 241.051 330.0 242.0616 140.0 243.033 1200.0 244.0337 100.0 245.0282 140.0 254.0878 120.0 266.0654 130.0 267.0644 590.0 268.0758 100.0 269.0808 520.0 277.0449 220.0 278.0534 340.0 291.0634 200.0 293.0492 140.0 295.0623 1200.0 296.0545 230.0 297.0763 690.0 309.078 350.0 310.0699 120.0 314.0734 110.0 321.0426 1000.0 321.1181 150.0 322.045 550.0 339.0491 1300.0 339.1646 120.0 340.0544 590.0 342.0817 170.0 353.0673 550.0 354.0741 310.0 359.0608 160.0 365.0691 530.0 366.0584 130.0 367.0637 150.0 431.1106 340.0 475.1046 900.0 476.1036 110.0 962.5005 170.0 END IONS BEGIN IONS SCANS=7543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7554 PEPMASS=295.0611 CHARGE=-1 COLLISION_ENERGY=0.0 79.0157 140.0 91.0184 150.0 101.0243 140.0 108.0239 280.0 109.0313 770.0 121.0272 140.0 129.0407 140.0 158.033 130.0 185.0198 310.0 218.5956 110.0 221.6632 100.0 225.0479 120.0 END IONS BEGIN IONS SCANS=7555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7561 PEPMASS=491.0995 CHARGE=-1 COLLISION_ENERGY=0.0 71.0104 310.0 72.9922 4100.0 73.9994 100.0 74.3672 120.0 79.054 150.0 101.0301 180.0 107.0092 250.0 108.0233 290.0 109.0288 22000.0 109.591 140.0 109.6801 120.0 109.9153 100.0 110.033 1200.0 110.0668 270.0 117.0293 290.0 121.0272 330.0 123.045 2200.0 124.0459 260.0 125.0152 160.0 129.0326 1200.0 134.0323 160.0 135.0027 160.0 135.0447 6200.0 136.0503 250.0 137.0208 350.0 141.0358 240.0 145.026 650.0 145.0677 110.0 146.0358 110.0 147.0442 120.0 148.0433 210.0 149.0341 210.0 157.0275 2900.0 157.1306 190.0 158.032 870.0 159.0434 3900.0 159.1101 250.0 159.2552 110.0 160.0461 540.0 161.0271 180.0 165.0734 190.0 171.0129 130.0 173.0218 3900.0 173.1419 230.0 173.225 110.0 174.0307 600.0 175.0402 140.0 177.0896 160.0 178.0223 100.0 179.0331 2900.0 179.1534 130.0 180.0538 280.0 183.0297 140.0 185.0218 17000.0 185.729 120.0 186.0287 5600.0 186.092 560.0 186.5133 230.0 187.0318 850.0 197.0426 1200.0 197.0864 270.0 197.1301 130.0 198.0453 250.0 203.0325 1600.0 203.1948 100.0 206.0648 250.0 207.0707 120.0 209.0575 210.0 210.0639 190.0 211.0804 100.0 219.0508 170.0 220.0519 200.0 221.0599 390.0 223.0753 170.0 224.0482 110.0 225.0583 350.0 225.0913 150.0 226.0223 130.0 227.0684 210.0 231.0389 180.0 236.0384 280.0 237.0358 220.0 239.068 1100.0 240.0593 170.0 247.0344 120.0 248.051 230.0 249.0523 940.0 250.054 260.0 251.0667 750.0 253.0519 1000.0 254.0544 440.0 254.13 100.0 261.5824 110.0 265.0522 430.0 266.0557 450.0 267.0625 2400.0 267.1748 130.0 267.2154 150.0 268.0644 250.0 269.0791 350.0 270.0729 230.0 276.0309 180.0 277.0465 1900.0 277.5037 110.0 278.0534 690.0 279.0298 330.0 280.03 880.0 281.0413 190.0 293.0431 2100.0 293.2006 130.0 293.3141 120.0 294.0537 420.0 295.0614 4700.0 295.9455 120.0 296.064 640.0 296.1182 180.0 296.4507 130.0 297.5356 120.0 303.2111 120.0 311.0452 100.0 446.2368 110.0 END IONS BEGIN IONS SCANS=7562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7570 PEPMASS=447.11 CHARGE=-1 COLLISION_ENERGY=0.0 71.0114 170.0 72.9959 180.0 75.0101 120.0 85.0337 120.0 109.0264 380.0 121.9952 170.0 135.3016 110.0 145.0224 370.0 157.0261 110.0 159.038 150.0 185.018 470.0 219.0191 100.0 220.0506 110.0 235.038 170.0 267.0644 120.0 269.0044 100.0 277.0524 220.0 294.0395 120.0 339.0413 100.0 END IONS BEGIN IONS SCANS=7571 PEPMASS=493.1123 CHARGE=-1 COLLISION_ENERGY=0.0 72.9923 710.0 75.0004 110.0 109.0291 1400.0 121.0262 140.0 135.0443 420.0 145.0231 290.0 157.0275 180.0 158.0348 120.0 159.0437 380.0 160.0507 190.0 173.0237 320.0 185.0191 820.0 186.0315 570.0 203.0248 280.0 239.0728 280.0 241.0447 130.0 249.0526 550.0 277.0429 320.0 278.0614 150.0 288.9204 110.0 295.0573 290.0 END IONS BEGIN IONS SCANS=7572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7573 PEPMASS=0.0 CHARGE=1 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311.0507 4000.0 311.2163 200.0 311.2858 110.0 312.0544 870.0 313.0583 100.0 345.0207 150.0 396.0249 110.0 491.1003 100.0 849.7668 260.0 END IONS BEGIN IONS SCANS=7622 PEPMASS=713.1706 CHARGE=-1 COLLISION_ENERGY=0.0 72.9936 520.0 87.0063 110.0 109.0262 260.0 110.0278 140.0 115.607 120.0 135.0412 410.0 135.065 120.0 143.0147 110.0 163.0376 170.0 167.0314 200.0 179.0301 230.0 185.0243 320.0 197.0393 180.0 199.0356 170.0 218.0545 210.0 231.0233 100.0 243.0233 400.0 249.0495 120.0 280.0131 140.0 285.0435 100.0 293.0438 220.0 295.0592 1100.0 313.0355 150.0 321.0382 2100.0 321.1071 260.0 321.192 120.0 322.034 110.0 323.0299 130.0 326.3652 120.0 337.0322 380.0 337.2063 150.0 339.0538 370.0 339.1133 130.0 340.0572 100.0 348.0168 130.0 353.056 240.0 353.089 130.0 354.0686 180.0 357.042 120.0 359.0934 150.0 365.0533 150.0 371.1876 120.0 372.0822 150.0 372.9909 130.0 392.9894 190.0 471.119 170.0 475.1008 130.0 483.098 270.0 498.9867 120.0 519.0737 130.0 568.1964 110.0 575.0184 180.0 602.1079 140.0 670.1987 230.0 868.0191 160.0 954.7947 130.0 END IONS BEGIN IONS SCANS=7623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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185.0215 270.0 267.0675 230.0 268.0576 130.0 271.0579 100.0 272.1027 220.0 284.027 1100.0 285.0526 120.0 291.0207 160.0 293.0475 910.0 293.1345 100.0 294.0423 140.0 295.0656 110.0 300.058 120.0 311.0518 2600.0 311.1543 140.0 311.2141 110.0 312.0609 350.0 343.0832 110.0 345.0698 110.0 366.1053 100.0 454.108 120.0 462.1004 110.0 489.1076 870.0 490.108 560.0 490.2651 110.0 491.1164 510.0 491.2814 240.0 END IONS BEGIN IONS SCANS=7642 PEPMASS=201.1116 CHARGE=-1 COLLISION_ENERGY=0.0 99.9294 110.0 139.1127 530.0 156.4652 110.0 183.1058 230.0 202.1106 140.0 767.6699 150.0 END IONS BEGIN IONS SCANS=7643 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7650 PEPMASS=201.1119 CHARGE=-1 COLLISION_ENERGY=0.0 65.9945 110.0 86.775 100.0 118.9376 120.0 659.1429 120.0 END IONS BEGIN IONS SCANS=7651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7655 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7656 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7657 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7658 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7659 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7660 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7661 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124.0703 110.0 160.9185 110.0 173.0417 200.0 219.0439 130.0 233.263 120.0 263.1156 120.0 264.0788 120.0 378.8746 110.0 404.1995 180.0 489.2316 110.0 491.2766 110.0 521.3266 380.0 522.1866 140.0 541.2406 150.0 557.1999 130.0 557.3066 790.0 557.3989 110.0 558.2147 190.0 558.3083 180.0 559.2862 470.0 END IONS BEGIN IONS SCANS=7668 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7670 PEPMASS=437.1508 CHARGE=-1 COLLISION_ENERGY=0.0 72.0106 180.0 97.0747 150.0 108.9923 100.0 114.9859 190.0 126.9089 140.0 142.9559 150.0 159.0033 100.0 160.9907 360.0 175.0382 190.0 177.0545 130.0 203.0366 630.0 204.0533 160.0 205.0315 220.0 243.069 160.0 259.063 300.0 261.0413 200.0 277.0442 170.0 283.0865 110.0 287.0574 440.0 301.1209 130.0 312.0359 110.0 425.0199 100.0 505.3989 140.0 END IONS BEGIN IONS SCANS=7671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7672 PEPMASS=0.0 CHARGE=1 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120.0 492.091 650.0 493.11 140.0 493.2904 130.0 508.9969 170.0 538.2176 110.0 549.13 150.0 593.1414 110.0 620.2199 110.0 653.1426 1300.0 653.3586 150.0 654.1539 980.0 654.256 180.0 654.3388 140.0 654.3694 120.0 655.1573 130.0 655.323 140.0 655.351 510.0 655.3671 160.0 657.5037 100.0 755.1668 110.0 756.2442 170.0 978.0204 160.0 END IONS BEGIN IONS SCANS=7678 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7680 PEPMASS=437.1506 CHARGE=-1 COLLISION_ENERGY=0.0 71.016 130.0 117.0604 130.0 135.0464 180.0 154.9036 190.0 173.045 110.0 179.0342 180.0 191.0565 200.0 206.0262 130.0 217.0873 150.0 219.0412 100.0 224.0739 110.0 351.212 120.0 405.1216 1600.0 405.1909 380.0 405.2663 150.0 406.1343 310.0 407.1241 140.0 437.1522 380.0 439.1463 170.0 439.2549 100.0 END IONS BEGIN IONS SCANS=7681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7683 PEPMASS=329.0663 CHARGE=-1 COLLISION_ENERGY=0.0 79.9588 170.0 100.5387 100.0 108.029 120.0 109.028 290.0 121.0262 280.0 122.0427 150.0 123.0443 540.0 133.0259 560.0 135.0433 240.0 136.0467 140.0 137.0197 110.0 149.0197 490.0 161.016 150.0 167.0331 410.0 268.0578 220.0 831.923 100.0 END IONS BEGIN IONS SCANS=7684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7687 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7690 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7691 PEPMASS=401.1395 CHARGE=-1 COLLISION_ENERGY=0.0 97.0619 130.0 136.9076 180.0 139.0325 140.0 139.1069 170.0 141.053 120.0 147.0897 160.0 148.9616 130.0 152.9344 110.0 166.1314 200.0 178.9261 120.0 188.0305 130.0 211.0615 270.0 211.1277 150.0 212.0697 320.0 213.07 200.0 227.0693 100.0 239.0821 220.0 240.0541 540.0 240.0983 240.0 241.0493 120.0 251.0901 200.0 267.0436 350.0 268.0726 140.0 281.0963 220.0 283.0597 210.0 291.0622 180.0 294.0635 100.0 296.0635 140.0 325.1978 110.0 359.1251 230.0 526.4203 230.0 815.9907 180.0 END IONS BEGIN IONS SCANS=7692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7694 PEPMASS=537.2828 CHARGE=-1 COLLISION_ENERGY=0.0 72.9936 240.0 89.0388 110.0 95.0321 140.0 109.0302 160.0 135.0462 340.0 177.0354 150.0 179.0355 170.0 185.0215 170.0 201.1243 150.0 208.0531 110.0 237.0547 130.0 251.0318 100.0 267.9086 110.0 281.1457 110.0 295.0684 110.0 453.0515 230.0 504.1616 120.0 878.9191 110.0 END IONS BEGIN IONS SCANS=7695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7696 PEPMASS=0.0 CHARGE=1 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149.0541 130.0 150.625 120.0 163.0816 170.0 165.0068 110.0 179.0995 110.0 185.9989 140.0 203.0344 160.0 271.4627 110.0 276.0343 110.0 276.1065 110.0 357.1755 180.0 END IONS BEGIN IONS SCANS=7703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7706 PEPMASS=629.223 CHARGE=-1 COLLISION_ENERGY=0.0 89.0205 130.0 115.0421 110.0 121.9412 180.0 181.0528 130.0 182.048 150.0 190.053 150.0 197.041 190.0 214.9866 180.0 229.0144 300.0 233.0959 300.0 233.136 110.0 237.1149 100.0 247.0855 170.0 287.059 110.0 301.1317 100.0 320.1617 120.0 327.1322 140.0 332.0104 100.0 335.0761 110.0 355.0144 170.0 365.4446 280.0 393.526 130.0 395.0574 120.0 425.1529 120.0 431.0415 170.0 433.0327 190.0 435.2628 160.0 451.459 100.0 459.091 110.0 485.9096 150.0 487.1964 120.0 489.3768 220.0 494.1203 170.0 505.1074 110.0 543.2525 190.0 561.2185 1300.0 562.2174 420.0 563.2156 140.0 573.0833 170.0 584.1911 130.0 593.233 510.0 593.3113 170.0 594.2294 220.0 594.342 100.0 630.1985 130.0 630.3449 110.0 631.1967 160.0 631.2871 410.0 632.198 140.0 633.3292 150.0 676.0015 210.0 880.9292 200.0 END IONS BEGIN IONS SCANS=7707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7709 PEPMASS=667.19 CHARGE=-1 COLLISION_ENERGY=0.0 95.0102 210.0 103.7447 130.0 143.1035 200.0 147.1153 170.0 151.0442 210.0 173.1265 160.0 237.0394 100.0 264.0365 220.0 300.0188 100.0 326.0424 2200.0 326.1733 120.0 327.0471 1100.0 327.1224 120.0 328.0495 200.0 466.092 150.0 607.9227 110.0 635.1619 780.0 635.2419 140.0 636.1674 280.0 637.1764 110.0 END IONS BEGIN IONS SCANS=7710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7712 PEPMASS=557.3036 CHARGE=-1 COLLISION_ENERGY=0.0 92.9239 180.0 110.0608 170.0 118.0374 260.0 130.0447 170.0 149.0172 170.0 164.9229 190.0 166.9185 270.0 173.0433 320.0 191.0449 130.0 206.0379 150.0 215.758 110.0 285.0409 100.0 287.9626 130.0 303.836 130.0 336.1577 150.0 355.1035 170.0 516.0567 110.0 END IONS BEGIN IONS SCANS=7713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7718 PEPMASS=623.1635 CHARGE=-1 COLLISION_ENERGY=0.0 63.419 120.0 85.029 120.0 87.0007 130.0 89.0244 430.0 91.0259 140.0 98.024 220.0 101.0253 210.0 119.0316 310.0 119.9545 110.0 124.0153 230.0 135.036 120.0 135.042 510.0 136.0139 260.0 147.043 110.0 151.0319 160.0 161.0177 220.0 168.0512 160.0 177.0139 120.0 191.9959 140.0 192.8736 100.0 224.1217 120.0 230.0352 180.0 253.0459 190.0 257.0842 110.0 265.0433 130.0 266.0477 120.0 267.0704 110.0 269.0718 130.0 269.0776 590.0 269.1273 180.0 269.2077 140.0 270.0914 160.0 271.0629 100.0 279.0457 150.0 283.0218 530.0 283.2345 110.0 284.0313 2100.0 284.9164 150.0 285.0304 250.0 285.0372 460.0 295.0431 140.0 298.0516 670.0 299.0533 13000.0 299.1723 220.0 299.2147 440.0 299.2989 120.0 299.6846 120.0 300.0592 2600.0 300.0615 310.0 301.061 170.0 301.0725 110.0 304.9025 130.0 311.046 440.0 311.0577 830.0 311.0643 460.0 311.1349 110.0 312.0613 400.0 323.0526 120.0 332.1096 110.0 332.9965 120.0 365.0317 160.0 371.1031 100.0 422.1178 130.0 440.4597 130.0 441.8356 120.0 457.0545 180.0 461.1023 120.0 461.1135 150.0 463.0516 150.0 531.2142 110.0 556.97 110.0 562.0919 100.0 563.3469 230.0 608.0639 110.0 623.1606 3700.0 623.3099 190.0 623.731 110.0 624.1627 2300.0 624.2551 190.0 624.2864 200.0 624.3908 110.0 624.7638 210.0 625.1545 1100.0 625.2549 130.0 625.3441 150.0 626.1418 430.0 626.2242 210.0 626.2374 200.0 626.3228 110.0 627.2203 160.0 642.8836 150.0 756.0164 140.0 990.9848 120.0 END IONS BEGIN IONS SCANS=7719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7726 PEPMASS=487.1226 CHARGE=-1 COLLISION_ENERGY=0.0 72.9941 110.0 89.0411 180.0 106.9573 190.0 113.0228 230.0 118.9404 170.0 123.0417 200.0 135.046 250.0 148.9454 110.0 223.072 190.0 228.0284 180.0 248.0534 230.0 265.798 150.0 266.0546 870.0 267.0631 570.0 269.0582 150.0 274.9019 140.0 325.0707 2200.0 325.2348 120.0 326.0748 940.0 327.0819 390.0 327.2119 110.0 327.2933 120.0 356.0519 110.0 429.2893 200.0 488.8504 100.0 END IONS BEGIN IONS SCANS=7727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7740 PEPMASS=599.1888 CHARGE=-1 COLLISION_ENERGY=0.0 84.0059 120.0 102.9476 260.0 125.8678 110.0 138.0317 130.0 236.8614 180.0 293.071 230.0 327.2054 160.0 336.0911 100.0 338.1101 130.0 353.0975 200.0 371.7763 120.0 393.1395 170.0 401.1386 100.0 423.169 180.0 490.9732 110.0 514.1032 120.0 570.1638 110.0 738.4548 120.0 END IONS BEGIN IONS SCANS=7741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7743 PEPMASS=493.2293 CHARGE=-1 COLLISION_ENERGY=0.0 71.0156 340.0 72.9923 100.0 73.0286 180.0 89.024 220.0 93.037 270.0 101.0229 110.0 109.0303 230.0 119.0374 100.0 131.0363 110.0 135.044 180.0 154.8929 120.0 161.0238 150.0 173.023 140.0 175.1122 100.0 185.0245 280.0 224.9571 180.0 235.074 130.0 252.2048 100.0 313.0218 140.0 314.2452 120.0 329.2496 110.0 431.2746 140.0 582.0557 120.0 695.1253 160.0 END IONS BEGIN IONS SCANS=7744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7746 PEPMASS=909.1905 CHARGE=-1 COLLISION_ENERGY=0.0 60.2266 100.0 68.9549 130.0 85.039 100.0 312.0519 200.0 339.0582 350.0 353.7952 100.0 357.0677 220.0 365.0689 210.0 389.0841 360.0 390.0862 390.0 391.0859 190.0 431.1043 140.0 475.105 610.0 476.0824 200.0 477.1004 100.0 479.3598 110.0 513.0698 130.0 519.0941 1700.0 519.2059 140.0 520.1006 490.0 521.0926 200.0 524.4272 170.0 667.1207 150.0 673.1321 120.0 693.1014 100.0 711.1634 110.0 712.1384 140.0 715.1489 100.0 811.071 230.0 869.1569 130.0 909.1822 1300.0 909.2955 210.0 909.4111 170.0 910.0062 160.0 910.1918 1100.0 910.3375 170.0 910.4301 130.0 910.9406 100.0 911.212 230.0 911.4926 160.0 942.9728 100.0 END IONS BEGIN IONS SCANS=7747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7751 PEPMASS=483.2014 CHARGE=-1 COLLISION_ENERGY=0.0 121.0245 110.0 122.0318 150.0 140.0399 120.0 143.0804 120.0 150.9113 190.0 164.9372 100.0 177.0189 100.0 178.0207 190.0 201.7913 160.0 203.0377 100.0 205.0705 160.0 205.1989 110.0 209.0789 140.0 224.0231 260.0 241.1333 900.0 277.0577 100.0 295.0646 140.0 297.0557 130.0 308.0177 140.0 345.2324 110.0 445.0373 210.0 465.0373 110.0 END IONS BEGIN IONS SCANS=7752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7757 PEPMASS=590.1274 CHARGE=-1 COLLISION_ENERGY=0.0 61.9885 170.0 72.9962 180.0 105.6175 110.0 125.02 120.0 130.0916 100.0 135.046 970.0 135.0904 150.0 191.908 140.0 264.8982 120.0 266.0866 120.0 279.0721 240.0 281.0746 150.0 311.0529 1100.0 312.0563 260.0 313.0196 170.0 322.0432 140.0 323.0579 390.0 325.9826 140.0 337.9229 140.0 343.0141 170.0 361.5288 240.0 363.1691 150.0 525.3089 170.0 546.1919 130.0 708.0143 120.0 END IONS BEGIN IONS SCANS=7758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7759 PEPMASS=415.1066 CHARGE=-1 COLLISION_ENERGY=0.0 135.0441 790.0 158.8642 130.0 161.0195 180.0 179.0299 180.0 190.0618 120.0 191.0667 280.0 192.0739 120.0 197.0433 260.0 235.0766 100.0 236.0537 140.0 253.0703 770.0 253.1219 130.0 260.7946 120.0 343.1168 170.0 379.0307 110.0 397.2432 160.0 398.973 140.0 416.2145 130.0 519.9502 110.0 END IONS BEGIN IONS SCANS=7760 PEPMASS=459.1823 CHARGE=-1 COLLISION_ENERGY=0.0 119.0411 120.0 135.0436 350.0 173.0478 110.0 207.0091 180.0 240.0601 160.0 255.1602 130.0 256.0746 140.0 259.0309 140.0 343.0951 130.0 461.2062 140.0 463.3253 110.0 727.0576 130.0 END IONS BEGIN IONS SCANS=7761 PEPMASS=489.1565 CHARGE=-1 COLLISION_ENERGY=0.0 101.0289 150.0 136.0509 210.0 161.0255 320.0 179.0695 130.0 185.0207 310.0 234.9881 110.0 254.8239 120.0 256.1227 260.0 259.0968 140.0 285.0389 160.0 291.1239 1800.0 291.2341 120.0 291.4199 140.0 292.1236 170.0 295.0618 290.0 311.0617 150.0 313.0703 270.0 315.1901 250.0 329.236 140.0 339.0525 210.0 360.9348 100.0 363.0642 140.0 394.1428 120.0 447.0958 160.0 447.2174 280.0 453.1796 120.0 459.1539 130.0 489.1714 150.0 490.8422 110.0 491.1278 390.0 491.2779 100.0 493.2038 110.0 525.0326 180.0 577.0479 120.0 659.0587 110.0 END IONS BEGIN IONS SCANS=7762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7765 PEPMASS=971.3484 CHARGE=-1 COLLISION_ENERGY=0.0 90.0302 170.0 119.0356 100.0 149.0546 210.0 150.0379 120.0 151.0387 180.0 165.0491 800.0 166.0594 210.0 177.0286 120.0 181.0468 140.0 195.0659 1100.0 214.0661 160.0 311.1058 120.0 329.1012 120.0 350.9907 130.0 356.0305 100.0 387.1494 120.0 417.1529 350.0 450.2734 260.0 471.1727 110.0 557.2689 100.0 565.2043 730.0 566.2071 430.0 567.21 230.0 595.2119 120.0 596.2087 160.0 613.2406 270.0 615.2136 130.0 693.2355 130.0 713.2504 240.0 714.255 450.0 715.2607 140.0 743.2459 150.0 744.2424 170.0 745.2375 130.0 748.9526 200.0 749.1281 130.0 809.2907 100.0 825.2074 110.0 954.0498 110.0 974.4733 120.0 END IONS BEGIN IONS SCANS=7766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7768 PEPMASS=177.0566 CHARGE=-1 COLLISION_ENERGY=0.0 88.8202 120.0 89.0417 180.0 93.0379 140.0 117.0333 3600.0 117.0646 210.0 117.1012 150.0 118.0351 760.0 145.0245 110.0 339.5518 150.0 448.7932 110.0 END IONS BEGIN IONS SCANS=7769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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164.0412 120.0 182.075 130.0 260.0484 120.0 299.0216 110.0 311.0686 110.0 448.8609 120.0 507.3556 190.0 508.3527 280.0 669.3984 250.0 670.2135 120.0 670.434 170.0 671.3857 170.0 END IONS BEGIN IONS SCANS=7796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7798 PEPMASS=533.2485 CHARGE=-1 COLLISION_ENERGY=0.0 124.0763 150.0 135.0401 400.0 154.0202 230.0 166.018 230.0 197.0172 280.0 221.076 190.0 237.6052 120.0 252.2235 100.0 277.0421 110.0 279.107 240.0 293.0496 140.0 296.0242 120.0 299.0881 130.0 311.0545 190.0 335.0223 170.0 335.2247 320.0 337.0306 140.0 353.0212 230.0 410.1815 170.0 434.584 170.0 445.1557 120.0 464.7572 120.0 467.4557 260.0 533.0795 230.0 533.2616 440.0 534.1832 150.0 534.2585 160.0 535.255 340.0 536.2463 260.0 537.097 110.0 END IONS BEGIN IONS SCANS=7799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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117.035 150.0 125.0905 140.0 134.0339 190.0 135.044 3100.0 135.1322 110.0 136.0462 500.0 147.045 460.0 154.899 110.0 159.0372 120.0 161.0232 550.0 164.0739 120.0 173.8878 170.0 201.113 100.0 229.0589 150.0 229.1898 130.0 242.1436 130.0 263.8594 140.0 284.0883 250.0 291.2036 110.0 308.0222 120.0 329.2323 170.0 619.981 210.0 END IONS BEGIN IONS SCANS=7824 PEPMASS=343.0817 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 300.0 73.0301 110.0 96.9644 120.0 107.05 220.0 107.0543 190.0 119.0495 1600.0 119.9661 170.0 120.0457 110.0 123.051 120.0 127.0552 180.0 132.0164 100.0 133.0281 2100.0 134.0355 460.0 135.045 2100.0 135.1532 110.0 136.0412 160.0 144.9429 240.0 145.0253 250.0 161.0227 1500.0 162.0242 270.0 163.0378 1100.0 165.0463 120.0 175.1444 100.0 182.063 180.0 205.075 130.0 214.1062 130.0 411.6826 120.0 599.2656 100.0 END IONS BEGIN IONS SCANS=7825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7832 PEPMASS=621.2068 CHARGE=-1 COLLISION_ENERGY=0.0 61.9887 120.0 96.9726 200.0 138.8677 230.0 151.0186 130.0 164.9202 150.0 165.0514 220.0 208.0732 120.0 265.1434 230.0 297.0585 120.0 322.024 180.0 331.0696 170.0 370.1246 140.0 374.0042 100.0 402.0886 130.0 410.9851 140.0 418.1207 150.0 539.2043 220.0 560.1729 150.0 577.215 150.0 585.2947 190.0 END IONS BEGIN IONS SCANS=7833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7834 PEPMASS=307.0718 CHARGE=-1 COLLISION_ENERGY=0.0 137.9147 110.0 144.866 130.0 161.0388 120.0 166.0585 130.0 191.0519 250.0 196.9098 200.0 204.0685 260.0 205.0774 1100.0 206.0868 420.0 216.0662 130.0 278.2258 150.0 END IONS BEGIN IONS SCANS=7835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7837 PEPMASS=343.0838 CHARGE=-1 COLLISION_ENERGY=0.0 72.9943 260.0 111.078 200.0 117.0332 140.0 133.0221 720.0 134.0327 210.0 135.0422 1400.0 135.0683 210.0 135.1067 100.0 145.0283 430.0 145.0325 310.0 161.0221 8700.0 161.1374 120.0 161.2463 140.0 162.0251 860.0 163.0416 690.0 170.1281 150.0 179.0436 230.0 181.0488 2600.0 182.0623 220.0 197.0373 130.0 197.0414 110.0 280.9788 160.0 345.0109 120.0 END IONS BEGIN IONS SCANS=7838 PEPMASS=515.2943 CHARGE=-1 COLLISION_ENERGY=0.0 109.029 120.0 179.0376 310.0 240.9785 260.0 259.1188 130.0 441.0446 170.0 520.5893 100.0 669.7408 110.0 END IONS BEGIN IONS SCANS=7839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7842 PEPMASS=537.283 CHARGE=-1 COLLISION_ENERGY=0.0 72.9907 260.0 89.0266 160.0 109.0294 190.0 123.042 360.0 135.0404 480.0 137.0201 130.0 161.0219 100.0 163.0392 110.0 165.0032 260.0 169.1238 120.0 185.0173 130.0 203.0338 140.0 216.999 270.0 217.112 140.0 234.9456 100.0 236.9915 180.0 266.0292 100.0 267.066 290.0 277.0583 240.0 283.0592 160.0 293.0463 170.0 295.0608 530.0 296.0528 200.0 306.0404 140.0 314.0619 120.0 321.0455 110.0 354.0646 120.0 361.0716 180.0 470.9709 100.0 518.9656 100.0 END IONS BEGIN IONS SCANS=7843 PEPMASS=421.2 CHARGE=-1 COLLISION_ENERGY=0.0 79.9548 290.0 92.9261 130.0 100.0017 170.0 114.9823 130.0 119.0546 200.0 164.9218 110.0 172.9765 220.0 197.0512 280.0 201.0104 130.0 203.028 100.0 215.0752 200.0 223.0442 120.0 223.0917 240.0 252.8446 140.0 290.8828 150.0 END IONS BEGIN IONS SCANS=7844 PEPMASS=431.227 CHARGE=-1 COLLISION_ENERGY=0.0 61.988 380.0 74.028 110.0 85.027 150.0 93.0311 150.0 106.0406 230.0 111.08 170.0 153.7226 110.0 158.9732 140.0 181.0401 260.0 243.0095 150.0 243.0844 150.0 END IONS BEGIN IONS SCANS=7845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7860 PEPMASS=343.0805 CHARGE=-1 COLLISION_ENERGY=0.0 65.0381 260.0 72.9926 170.0 83.0508 170.0 87.041 160.0 105.0324 220.0 107.048 200.0 108.0434 130.0 119.0476 480.0 123.0435 190.0 133.0285 1300.0 133.0857 110.0 134.0339 580.0 135.0439 920.0 135.083 160.0 145.0246 160.0 161.0218 600.0 163.0386 230.0 166.0478 110.0 172.9711 290.0 181.0487 120.0 193.0753 190.0 197.1198 270.0 205.0772 790.0 205.1325 140.0 206.0752 120.0 211.1349 120.0 220.0499 120.0 227.1218 190.0 232.0619 140.0 233.0711 270.0 235.064 130.0 237.1382 260.0 266.092 130.0 651.1282 110.0 END IONS BEGIN IONS SCANS=7861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7878 PEPMASS=351.1579 CHARGE=-1 COLLISION_ENERGY=0.0 84.2824 110.0 108.0433 160.0 108.2466 110.0 146.9363 260.0 263.1261 150.0 END IONS BEGIN IONS SCANS=7879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7882 PEPMASS=569.1798 CHARGE=-1 COLLISION_ENERGY=0.0 135.0478 140.0 174.9523 150.0 179.0244 100.0 195.0447 210.0 273.9843 110.0 290.0807 140.0 307.187 110.0 323.1236 120.0 510.1451 100.0 915.5473 150.0 END IONS BEGIN IONS SCANS=7883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7887 PEPMASS=361.1861 CHARGE=-1 COLLISION_ENERGY=0.0 71.0162 140.0 96.9577 330.0 111.0745 190.0 120.9376 260.0 147.0712 230.0 147.1123 240.0 191.0348 120.0 202.0046 110.0 301.5236 110.0 END IONS BEGIN IONS SCANS=7888 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7891 PEPMASS=555.1872 CHARGE=-1 COLLISION_ENERGY=0.0 135.0386 360.0 136.0169 100.0 136.0469 200.0 149.0212 150.0 150.031 500.0 150.0646 110.0 151.0341 200.0 152.065 160.0 161.0199 200.0 164.0444 380.0 165.0529 360.0 166.0467 180.0 175.0394 150.0 178.0184 140.0 179.0687 170.0 180.0331 140.0 180.069 240.0 213.0189 110.0 227.0258 120.0 234.049 140.0 277.1037 140.0 295.9372 130.0 309.0226 100.0 311.0521 350.0 313.058 150.0 315.0758 130.0 328.0973 170.0 328.6233 140.0 334.0065 110.0 364.9932 100.0 383.0707 150.0 468.0285 110.0 477.1449 130.0 609.8485 100.0 700.8076 120.0 END IONS BEGIN IONS SCANS=7892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7895 PEPMASS=655.3477 CHARGE=-1 COLLISION_ENERGY=0.0 97.4398 220.0 100.0883 110.0 200.4815 110.0 242.9366 140.0 251.1189 110.0 307.1073 110.0 419.1157 110.0 428.1873 100.0 433.246 170.0 443.2348 110.0 449.2635 150.0 481.3368 240.0 490.9174 110.0 499.1412 140.0 518.167 100.0 525.8565 140.0 527.0614 110.0 528.3235 240.0 551.9468 130.0 613.1696 240.0 655.1327 150.0 655.3469 2100.0 655.676 120.0 656.0663 180.0 656.349 1300.0 656.6043 130.0 656.9745 100.0 657.3476 230.0 END IONS BEGIN IONS SCANS=7896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7900 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7901 PEPMASS=466.1726 CHARGE=-1 COLLISION_ENERGY=0.0 66.0029 150.0 82.0284 180.0 85.031 470.0 86.0316 120.0 87.0441 120.0 93.0459 110.0 99.958 240.0 114.9755 100.0 130.0858 810.0 135.0414 110.0 146.054 130.0 149.9653 170.0 156.1013 110.0 158.0796 230.0 161.025 170.0 201.0153 150.0 206.1102 300.0 227.0356 100.0 260.1408 150.0 275.0205 120.0 304.1362 200.0 305.1326 190.0 317.029 180.0 333.8861 210.0 359.9409 150.0 395.0989 170.0 964.9073 140.0 END IONS BEGIN IONS SCANS=7902 PEPMASS=343.0817 CHARGE=-1 COLLISION_ENERGY=0.0 60.0547 170.0 69.0332 100.0 71.0117 130.0 72.9926 230.0 93.0352 210.0 107.0531 430.0 117.0308 100.0 119.0488 1100.0 127.0729 160.0 133.0276 3600.0 133.1303 130.0 134.032 510.0 134.0415 270.0 134.0729 130.0 135.0448 2200.0 135.096 140.0 136.0444 140.0 161.023 1800.0 161.0648 110.0 162.025 110.0 162.9517 110.0 163.0396 560.0 182.0586 130.0 198.1236 100.0 201.1079 140.0 208.9625 100.0 209.1162 260.0 END IONS BEGIN IONS SCANS=7903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7906 PEPMASS=731.1608 CHARGE=-1 COLLISION_ENERGY=0.0 89.0199 210.0 94.0695 160.0 109.0292 220.0 129.8665 110.0 157.0248 150.0 203.0298 170.0 207.0229 130.0 229.0135 400.0 245.0419 130.0 251.0647 100.0 268.0554 110.0 269.0771 170.0 277.058 150.0 293.0409 210.0 295.0589 450.0 311.0583 140.0 312.0493 140.0 313.0655 1000.0 314.0787 240.0 321.051 180.0 337.0375 160.0 338.0294 180.0 339.0478 590.0 340.0559 240.0 397.0814 160.0 398.1051 210.0 457.0694 130.0 475.0999 130.0 544.1801 170.0 918.303 100.0 END IONS BEGIN IONS SCANS=7907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7914 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7915 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7923 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7927 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7930 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7932 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7934 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7941 PEPMASS=983.2799 CHARGE=-1 COLLISION_ENERGY=0.0 94.9241 140.0 145.0293 810.0 146.029 370.0 162.194 140.0 163.0375 210.0 178.0613 110.0 205.0464 150.0 233.0876 110.0 247.056 160.0 297.1021 160.0 307.0774 120.0 309.1052 120.0 323.0858 150.0 333.1362 240.0 337.1159 110.0 341.1041 110.0 367.0791 500.0 368.0769 110.0 409.0806 190.0 467.1318 150.0 469.1419 900.0 470.1349 280.0 471.1376 110.0 483.1289 120.0 485.1404 130.0 509.1289 110.0 608.1979 150.0 635.1785 100.0 647.198 200.0 664.1796 180.0 793.2274 1800.0 793.4149 100.0 793.5057 110.0 794.2494 370.0 794.4944 110.0 809.2089 240.0 810.2053 130.0 837.2145 760.0 838.2385 100.0 845.7393 120.0 879.2155 110.0 916.1247 170.0 939.3155 230.0 940.2878 110.0 983.2926 180.0 END IONS BEGIN IONS SCANS=7942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7945 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7947 PEPMASS=737.1117 CHARGE=-1 COLLISION_ENERGY=0.0 65.9536 110.0 135.0344 210.0 135.0455 160.0 203.0328 230.0 208.0482 150.0 219.0242 270.0 235.0323 110.0 263.0475 110.0 265.0407 190.0 265.0583 160.0 266.0321 110.0 271.0484 200.0 287.0317 170.0 291.0534 110.0 311.0455 130.0 314.0672 150.0 336.3695 130.0 337.0334 9200.0 337.1978 460.0 337.2395 180.0 337.2917 130.0 338.0354 3000.0 338.1729 150.0 338.3457 160.0 339.0494 210.0 339.0578 100.0 342.2264 180.0 355.0542 100.0 359.0166 1200.0 359.0961 130.0 360.0285 140.0 360.1211 120.0 377.0185 140.0 379.9832 100.0 397.0111 100.0 415.0677 100.0 591.0185 120.0 774.0638 100.0 END IONS BEGIN IONS SCANS=7948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7953 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7956 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7957 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7958 PEPMASS=715.1306 CHARGE=-1 COLLISION_ENERGY=0.0 72.9935 140.0 92.9319 150.0 144.4744 150.0 157.1216 140.0 179.043 220.0 185.0352 100.0 265.0487 320.0 280.0313 180.0 291.0251 260.0 321.0516 160.0 337.0369 13000.0 338.0394 3200.0 338.1172 150.0 338.2142 100.0 339.046 990.0 340.2154 110.0 357.0715 100.0 393.9757 140.0 473.0945 110.0 517.0761 1100.0 518.0914 480.0 519.1123 130.0 536.1069 110.0 715.1217 180.0 717.1358 120.0 END IONS BEGIN IONS SCANS=7959 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7960 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7961 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7962 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7963 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7964 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7965 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7966 PEPMASS=466.1718 CHARGE=-1 COLLISION_ENERGY=0.0 84.0117 130.0 91.0387 190.0 102.956 230.0 114.0498 110.0 130.0937 180.0 164.9217 160.0 191.0431 230.0 218.9322 160.0 290.1213 180.0 297.1147 150.0 304.1409 1200.0 305.1371 230.0 305.8724 150.0 315.3532 100.0 330.0634 130.0 374.1815 130.0 381.0959 110.0 406.1707 120.0 408.1497 110.0 450.158 130.0 466.1652 590.0 467.019 130.0 467.2123 390.0 468.214 130.0 675.2703 230.0 995.5156 120.0 END IONS BEGIN IONS SCANS=7967 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7968 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7970 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7971 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7973 PEPMASS=559.2934 CHARGE=-1 COLLISION_ENERGY=0.0 101.0246 140.0 112.9835 130.0 113.0218 130.0 185.0741 100.0 209.0695 110.0 292.0434 140.0 315.1193 120.0 325.2017 270.0 327.2109 300.0 334.0215 160.0 342.8377 130.0 424.8492 100.0 432.8243 190.0 460.0717 140.0 495.1649 120.0 501.1203 110.0 502.2437 110.0 523.2456 150.0 523.3516 160.0 525.3329 140.0 560.0109 100.0 561.1741 220.0 562.304 210.0 END IONS BEGIN IONS SCANS=7974 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7976 PEPMASS=419.0537 CHARGE=-1 COLLISION_ENERGY=0.0 72.995 130.0 89.0245 120.0 98.2457 120.0 101.0263 130.0 128.0016 170.0 128.0368 190.0 135.0443 2600.0 135.7484 100.0 138.9993 130.0 145.0256 220.0 145.0493 150.0 151.0361 100.0 159.0452 220.0 179.0404 140.0 197.0439 480.0 198.04 190.0 198.052 120.0 201.101 130.0 201.7 110.0 203.0335 8100.0 203.1378 190.0 203.145 160.0 203.165 180.0 203.2715 150.0 204.0381 1600.0 206.9453 120.0 223.0172 140.0 227.9227 100.0 275.1519 210.0 292.0382 140.0 292.0972 100.0 301.1477 110.0 329.0533 190.0 337.2668 130.0 338.0295 160.0 349.2015 130.0 357.9627 110.0 370.9348 100.0 378.0316 130.0 381.0561 280.0 383.0741 5300.0 383.1813 120.0 383.2056 110.0 383.2509 240.0 384.0758 910.0 384.087 380.0 384.1678 100.0 385.0928 120.0 390.1555 130.0 394.9556 170.0 419.2208 170.0 419.2506 120.0 420.1374 130.0 421.2276 140.0 421.242 110.0 422.2447 100.0 424.9822 270.0 445.0207 230.0 601.4479 110.0 858.8588 110.0 END IONS BEGIN IONS SCANS=7977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7978 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7985 PEPMASS=383.0773 CHARGE=-1 COLLISION_ENERGY=0.0 71.0537 110.0 72.9937 1100.0 93.0319 100.0 100.0228 190.0 123.047 260.0 130.0397 120.0 131.0479 260.0 134.0398 170.0 135.0469 2900.0 136.049 310.0 141.0372 110.0 147.0283 160.0 155.3118 110.0 158.0375 110.0 159.0425 3100.0 159.0936 130.0 160.0452 180.0 161.0135 110.0 161.018 220.0 168.5177 130.0 178.0278 160.0 179.0255 170.0 179.0309 360.0 203.0314 250.0 203.0357 390.0 204.0425 110.0 219.0319 250.0 265.0615 140.0 266.0573 130.0 317.9437 120.0 330.1475 140.0 461.8388 260.0 871.1391 140.0 END IONS BEGIN IONS SCANS=7986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7987 PEPMASS=357.0623 CHARGE=-1 COLLISION_ENERGY=0.0 72.9919 180.0 74.0311 170.0 77.0392 190.0 93.0335 150.0 109.0262 120.0 115.0391 160.0 128.0754 130.0 135.0434 820.0 136.0437 170.0 151.05 150.0 158.8953 160.0 161.0277 490.0 164.9255 150.0 171.102 270.0 174.9571 100.0 176.863 130.0 179.0346 370.0 197.0413 350.0 203.0273 110.0 225.108 220.0 231.9102 110.0 243.1151 270.0 252.1406 120.0 258.7666 260.0 270.0042 170.0 286.0271 150.0 295.0643 150.0 337.0346 1200.0 338.0399 320.0 357.231 110.0 359.1246 190.0 359.2209 160.0 552.0745 270.0 885.1151 130.0 END IONS BEGIN IONS SCANS=7988 PEPMASS=409.0703 CHARGE=-1 COLLISION_ENERGY=0.0 125.0622 110.0 135.0433 1800.0 155.0704 120.0 175.0389 500.0 176.0505 360.0 179.0323 690.0 193.0532 170.0 197.0443 1600.0 198.0466 170.0 235.0821 110.0 261.8861 110.0 315.0172 170.0 337.0365 240.0 344.1197 100.0 366.1289 180.0 371.0758 250.0 392.9466 120.0 394.0504 120.0 453.0266 140.0 END IONS BEGIN IONS SCANS=7989 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7990 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7994 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7995 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7996 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7997 PEPMASS=199.1327 CHARGE=-1 COLLISION_ENERGY=0.0 60.0964 110.0 117.9254 140.0 199.1334 390.0 200.1385 150.0 286.0778 160.0 928.8343 150.0 END IONS BEGIN IONS SCANS=7998 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=7999 PEPMASS=548.0931 CHARGE=-1 COLLISION_ENERGY=0.0 79.0575 110.0 89.0207 210.0 107.0511 300.0 109.0291 170.0 123.0457 110.0 135.0448 1200.0 135.1297 120.0 136.0436 260.0 146.0387 160.0 147.043 180.0 149.0213 170.0 159.045 200.0 163.032 110.0 173.0218 230.0 179.0376 140.0 197.0411 210.0 219.0206 110.0 229.0196 190.0 231.9134 130.0 267.0571 110.0 268.0725 170.0 269.0822 370.0 277.046 210.0 289.0526 150.0 293.8043 120.0 294.0429 160.0 295.0604 1100.0 296.0567 130.0 312.061 210.0 313.0741 270.0 314.0772 180.0 323.0529 160.0 333.0456 110.0 335.0477 100.0 337.0407 120.0 339.0476 250.0 343.0235 180.0 351.0486 150.0 353.0598 390.0 361.037 190.0 367.0482 120.0 379.0436 240.0 409.1163 130.0 END IONS BEGIN IONS SCANS=8000 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8001 PEPMASS=489.1036 CHARGE=-1 COLLISION_ENERGY=0.0 75.0032 100.0 115.0372 120.0 135.0404 360.0 148.946 110.0 166.9238 140.0 211.0585 120.0 266.0149 120.0 275.0553 120.0 285.0397 2200.0 285.1424 150.0 286.0406 690.0 312.0601 120.0 338.0334 190.0 376.8504 270.0 396.0795 130.0 398.1225 230.0 443.0356 150.0 460.1208 230.0 491.1015 120.0 491.2815 150.0 493.277 120.0 604.0906 120.0 END IONS BEGIN IONS SCANS=8002 PEPMASS=555.187 CHARGE=-1 COLLISION_ENERGY=0.0 62.0639 270.0 92.9294 170.0 133.0259 150.0 136.0469 110.0 137.0242 160.0 142.9379 180.0 150.0282 740.0 152.0544 120.0 153.0533 130.0 154.0483 140.0 165.0549 1100.0 178.0153 110.0 192.0358 100.0 212.0407 110.0 266.0961 140.0 267.067 170.0 269.0245 120.0 281.0366 160.0 283.0435 110.0 285.0344 150.0 293.034 250.0 295.0692 230.0 299.0421 200.0 311.0739 210.0 314.0749 440.0 314.2612 160.0 315.0793 250.0 337.0368 110.0 342.1011 110.0 355.1504 100.0 375.104 110.0 514.1692 130.0 730.91 110.0 END IONS BEGIN IONS SCANS=8003 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8004 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8005 PEPMASS=409.0687 CHARGE=-1 COLLISION_ENERGY=0.0 120.2565 110.0 135.0447 1500.0 136.0447 260.0 161.019 520.0 175.0399 1500.0 179.0339 810.0 193.06 110.0 197.0417 1100.0 197.1038 170.0 198.0496 220.0 217.9615 150.0 310.1581 120.0 337.0411 150.0 359.0138 150.0 373.0826 130.0 410.2619 110.0 412.9058 170.0 510.7238 180.0 END IONS BEGIN IONS SCANS=8006 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8007 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8008 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134.858 120.0 149.0401 290.0 162.0484 210.0 165.0523 130.0 165.103 160.0 221.0567 170.0 259.1268 140.0 304.9965 230.0 332.9029 190.0 341.112 220.0 344.2847 180.0 376.0585 130.0 431.0318 120.0 461.3308 190.0 485.1909 250.0 487.3328 140.0 505.3489 150.0 506.3235 240.0 507.3303 300.0 522.1248 220.0 526.9322 150.0 533.9136 110.0 602.2082 110.0 653.3982 130.0 667.3961 1100.0 668.3855 270.0 669.4006 300.0 670.3852 210.0 733.8466 140.0 742.2909 160.0 829.4456 310.0 830.4472 160.0 831.4368 380.0 831.5588 100.0 832.441 340.0 833.4458 130.0 850.012 110.0 875.2495 110.0 END IONS BEGIN IONS SCANS=8021 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8022 PEPMASS=591.1633 CHARGE=-1 COLLISION_ENERGY=0.0 93.0347 130.0 114.0503 130.0 145.0194 250.0 150.0321 290.0 165.0558 740.0 194.0531 180.0 252.9105 140.0 267.0746 110.0 283.0553 130.0 285.0361 200.0 293.2186 130.0 295.0547 120.0 314.0677 120.0 327.0708 110.0 329.0973 370.0 338.1301 210.0 341.0977 150.0 365.0644 120.0 366.9834 120.0 374.0018 130.0 477.1677 200.0 646.078 170.0 926.2612 230.0 END IONS BEGIN IONS SCANS=8023 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8024 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8025 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8026 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8027 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8028 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8029 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8030 PEPMASS=433.1565 CHARGE=-1 COLLISION_ENERGY=0.0 61.9893 200.0 135.0428 1500.0 135.6099 100.0 136.0483 240.0 145.0563 110.0 161.0198 130.0 162.0529 110.0 179.0356 680.0 197.0419 1100.0 198.0604 190.0 221.0796 500.0 221.1238 130.0 224.0241 110.0 233.0604 120.0 238.9825 320.0 263.0226 180.0 282.0336 140.0 298.1378 130.0 305.0626 110.0 353.1213 180.0 399.147 170.0 402.1162 200.0 613.0061 160.0 END IONS BEGIN IONS SCANS=8031 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8032 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8033 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8034 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8035 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8036 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8037 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8038 PEPMASS=537.6057 CHARGE=-1 COLLISION_ENERGY=0.0 72.9945 500.0 109.0278 240.0 133.0308 140.0 135.0457 1000.0 135.0993 110.0 163.0353 110.0 177.0198 140.0 179.0313 280.0 180.0472 110.0 195.0312 170.0 197.0447 2000.0 198.0511 160.0 215.0199 170.0 225.0545 140.0 229.0156 200.0 237.0599 220.0 241.0455 140.0 243.038 170.0 253.0457 200.0 267.0677 260.0 279.0507 160.0 280.066 160.0 283.0615 290.0 284.0604 110.0 295.0628 830.0 296.0588 180.0 298.0509 100.0 326.5655 120.0 339.0543 770.0 340.057 440.0 341.0633 290.0 353.0632 430.0 357.064 1500.0 357.1499 190.0 358.0624 620.0 359.0788 110.0 365.0652 280.0 438.079 270.0 448.1025 110.0 475.1136 450.0 476.1014 160.0 519.0885 300.0 537.3405 210.0 538.092 140.0 539.1545 130.0 539.3507 160.0 681.1184 190.0 END IONS BEGIN IONS SCANS=8039 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8040 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8041 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8042 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8043 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8044 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8045 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8046 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8047 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8048 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8049 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8050 PEPMASS=373.0924 CHARGE=-1 COLLISION_ENERGY=0.0 72.9913 700.0 88.0325 250.0 102.9792 240.0 122.0363 300.0 123.0424 430.0 124.6979 100.0 125.0927 100.0 126.8798 130.0 134.0363 330.0 135.0439 640.0 136.0436 100.0 155.1036 160.0 160.0134 290.0 179.0296 110.0 193.049 170.0 201.1141 190.0 208.8764 140.0 209.1132 190.0 214.8827 190.0 222.9445 120.0 720.853 140.0 720.9217 110.0 END IONS BEGIN IONS SCANS=8051 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8052 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8053 PEPMASS=409.0694 CHARGE=-1 COLLISION_ENERGY=0.0 72.9951 530.0 73.9979 150.0 91.053 200.0 109.0357 140.0 123.046 170.0 132.0326 110.0 133.0277 160.0 134.0326 280.0 134.0637 140.0 135.0438 2300.0 135.1504 130.0 136.0525 210.0 147.0492 130.0 160.0136 1800.0 160.1285 130.0 161.0138 210.0 175.0391 610.0 177.0594 110.0 179.0322 200.0 180.0345 310.0 193.0463 200.0 197.0459 140.0 414.1833 110.0 END IONS BEGIN IONS SCANS=8054 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8055 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8056 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8057 PEPMASS=548.0942 CHARGE=-1 COLLISION_ENERGY=0.0 72.9933 780.0 92.9283 110.0 101.0218 180.0 109.0288 270.0 123.0432 320.0 135.0449 1500.0 135.1524 120.0 136.0469 120.0 136.8506 110.0 145.0261 100.0 147.0457 270.0 151.0398 170.0 160.0429 110.0 163.0417 120.0 179.0377 150.0 197.0443 210.0 203.0307 410.0 211.0266 200.0 229.0173 270.0 261.0496 120.0 265.0422 120.0 266.0566 160.0 269.0771 150.0 280.0761 120.0 283.056 260.0 289.0337 110.0 291.0579 190.0 295.0625 790.0 296.0633 150.0 313.0733 140.0 314.0214 130.0 314.0688 180.0 321.0433 110.0 335.0435 110.0 336.0695 160.0 339.0618 120.0 343.0145 250.0 354.0694 120.0 357.0649 120.0 367.994 160.0 372.1763 160.0 458.1201 180.0 END IONS BEGIN IONS SCANS=8058 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8059 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8060 PEPMASS=441.0804 CHARGE=-1 COLLISION_ENERGY=0.0 79.0503 150.0 83.268 110.0 93.0331 510.0 93.0654 120.0 119.0446 240.0 130.9655 290.0 131.0427 140.0 133.0273 120.0 135.0433 4400.0 135.1037 150.0 135.1493 270.0 136.0425 250.0 137.0194 150.0 137.0441 200.0 138.0885 100.0 165.0489 160.0 166.9305 110.0 170.8814 130.0 175.0375 160.0 177.0398 270.0 178.0268 170.0 179.0313 240.0 185.0173 120.0 193.047 430.0 193.0518 150.0 197.8884 140.0 201.1099 120.0 207.0641 140.0 215.0791 140.0 285.0409 100.0 295.0204 160.0 307.0113 100.0 325.0541 140.0 337.0319 270.0 338.9709 160.0 345.066 130.0 355.0157 100.0 359.0085 230.0 369.168 110.0 387.0521 240.0 396.077 180.0 408.0957 110.0 442.2317 160.0 443.272 110.0 492.1923 130.0 492.9767 100.0 511.0184 120.0 512.6997 110.0 725.9013 130.0 975.8663 140.0 END IONS BEGIN IONS SCANS=8061 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8062 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8063 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8064 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8065 PEPMASS=537.6041 CHARGE=-1 COLLISION_ENERGY=0.0 72.991 760.0 80.3287 100.0 109.0294 350.0 110.0229 150.0 123.0418 430.0 123.0706 140.0 134.0378 140.0 135.0434 1500.0 135.1061 110.0 136.0393 150.0 137.0227 150.0 151.0403 110.0 152.0449 130.0 161.0244 510.0 170.1222 260.0 173.0261 150.0 179.0312 540.0 185.0176 370.0 191.0297 110.0 197.0515 180.0 213.0374 260.0 215.0152 110.0 219.0275 330.0 229.0154 390.0 230.0189 340.0 241.0479 150.0 252.0331 120.0 254.4633 130.0 267.0732 340.0 269.0866 140.0 277.0535 130.0 278.0475 230.0 283.0552 780.0 294.0438 110.0 294.6131 110.0 295.0547 970.0 296.0576 310.0 297.0558 230.0 307.0484 270.0 310.0774 100.0 321.0714 210.0 339.0403 420.0 340.0507 240.0 357.0608 230.0 365.0604 220.0 400.025 110.0 504.1723 120.0 END IONS BEGIN IONS SCANS=8066 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8067 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8068 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8069 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8070 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8071 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8072 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8073 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8074 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8075 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8076 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8077 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8078 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8079 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8080 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8081 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8082 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8083 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8084 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8085 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8086 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8087 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8088 PEPMASS=497.1814 CHARGE=-1 COLLISION_ENERGY=0.0 70.2094 130.0 71.0148 320.0 78.9617 130.0 81.036 110.0 83.0156 140.0 89.0223 250.0 161.0357 260.0 164.9228 130.0 180.0395 230.0 206.1304 150.0 234.9122 150.0 284.8467 100.0 375.0732 140.0 408.1804 120.0 452.7253 150.0 END IONS BEGIN IONS SCANS=8089 PEPMASS=971.3521 CHARGE=-1 COLLISION_ENERGY=0.0 71.0104 250.0 125.0169 130.0 140.3554 130.0 149.0611 190.0 163.0348 160.0 165.0554 740.0 168.8322 170.0 195.0627 1500.0 196.0783 110.0 327.0373 120.0 383.0219 120.0 387.1489 130.0 417.1579 330.0 565.2015 220.0 566.2015 210.0 587.0573 100.0 613.2074 280.0 613.2589 110.0 629.4276 200.0 630.9898 130.0 638.7325 110.0 699.0911 110.0 713.2664 160.0 714.2319 180.0 761.2728 110.0 791.2907 120.0 794.3182 120.0 802.269 110.0 852.3379 110.0 971.3746 100.0 974.2586 150.0 END IONS BEGIN IONS SCANS=8090 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8091 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8092 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8093 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8094 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8095 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8096 PEPMASS=0.0 CHARGE=1 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291.0222 240.0 292.0381 150.0 293.0431 2800.0 293.1608 170.0 293.2044 120.0 294.0434 280.0 295.0569 930.0 307.0209 160.0 310.0928 130.0 311.0502 740.0 311.1014 140.0 313.0689 180.0 319.0235 970.0 320.0169 160.0 321.0397 1900.0 322.0485 130.0 323.0564 130.0 333.0311 170.0 335.0613 160.0 337.0359 1500.0 337.1171 170.0 337.15 100.0 338.0409 130.0 339.0521 490.0 341.0437 170.0 382.0872 120.0 382.9861 120.0 443.0751 170.0 444.0873 150.0 489.1022 180.0 693.1543 110.0 742.4685 120.0 END IONS BEGIN IONS SCANS=8154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8157 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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130.0 449.0814 110.0 453.0913 130.0 469.0821 170.0 470.1001 120.0 472.0945 170.0 479.066 160.0 504.4274 280.0 514.0766 180.0 515.096 1100.0 516.0988 610.0 517.0691 200.0 544.1803 120.0 559.0827 360.0 659.5407 100.0 END IONS BEGIN IONS SCANS=8162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8163 PEPMASS=715.1309 CHARGE=-1 COLLISION_ENERGY=0.0 72.9959 730.0 108.0246 130.0 109.029 1300.0 109.0777 150.0 110.035 120.0 123.0449 390.0 135.0422 380.0 151.036 100.0 157.0252 130.0 159.0515 230.0 161.0163 120.0 165.6669 110.0 173.0224 540.0 177.0522 120.0 179.0331 220.0 184.6984 100.0 185.0234 2200.0 185.1492 190.0 186.0277 860.0 197.0418 590.0 203.0349 320.0 203.109 180.0 212.0187 180.0 225.0577 150.0 229.0116 110.0 230.003 200.0 232.0574 100.0 236.041 150.0 248.038 300.0 249.0513 150.0 252.0428 420.0 253.0529 280.0 269.0836 100.0 277.0514 1700.0 277.1075 130.0 278.0528 510.0 279.0309 1300.0 280.0303 760.0 281.0357 210.0 291.0756 310.0 292.0433 100.0 293.0449 1400.0 294.0478 290.0 295.06 5000.0 296.0668 850.0 296.2628 150.0 303.0278 370.0 307.0584 160.0 311.0748 130.0 313.0712 230.0 314.0872 100.0 319.0315 240.0 320.0404 140.0 321.0413 19000.0 321.8626 230.0 322.0456 3600.0 322.6767 120.0 322.8344 140.0 322.9294 120.0 323.0519 300.0 323.1102 120.0 324.0812 110.0 335.1233 160.0 337.0364 220.0 338.0386 190.0 339.0519 6700.0 340.0521 1300.0 340.15 170.0 341.0604 100.0 341.1873 110.0 360.0217 110.0 363.0503 160.0 448.108 180.0 449.1012 130.0 519.0939 220.0 520.0777 180.0 END IONS BEGIN IONS SCANS=8164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8165 PEPMASS=761.107 CHARGE=-1 COLLISION_ENERGY=0.0 109.034 160.0 133.0277 150.0 135.0403 150.0 158.0328 150.0 289.0487 310.0 291.0737 610.0 292.0622 120.0 298.0145 130.0 321.0371 360.0 334.0282 220.0 335.0461 370.0 336.7852 110.0 337.0622 110.0 349.0984 180.0 357.0382 420.0 383.041 120.0 401.0255 600.0 402.0127 190.0 501.4064 110.0 507.0542 140.0 518.0347 100.0 537.0902 220.0 561.0427 130.0 581.0711 390.0 582.0731 190.0 633.029 110.0 END IONS BEGIN IONS SCANS=8166 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8167 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8168 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8170 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8171 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8172 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8173 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8174 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8175 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8177 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8178 PEPMASS=611.3272 CHARGE=-1 COLLISION_ENERGY=0.0 71.0162 100.0 85.0276 260.0 89.0235 250.0 131.0907 170.0 186.0767 160.0 221.0881 120.0 232.113 130.0 246.0251 110.0 260.0759 130.0 287.2268 320.0 289.1802 110.0 296.8161 170.0 318.9304 150.0 327.2099 150.0 346.8408 130.0 349.5258 130.0 362.9368 100.0 402.2591 260.0 411.7174 210.0 432.1466 140.0 449.2723 940.0 452.919 140.0 611.3324 510.0 612.3302 270.0 860.0134 110.0 END IONS BEGIN IONS SCANS=8179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8181 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8184 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8187 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8189 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8191 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8192 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8193 PEPMASS=795.2645 CHARGE=-1 COLLISION_ENERGY=0.0 112.9858 240.0 179.0669 110.0 209.0832 120.0 233.123 110.0 398.8355 190.0 512.1492 140.0 595.0269 120.0 597.2419 230.0 598.2323 150.0 647.9561 180.0 669.4241 170.0 692.1533 230.0 759.266 130.0 795.2598 600.0 796.2644 490.0 796.4041 110.0 796.4751 110.0 797.2592 290.0 797.334 110.0 798.255 330.0 798.3135 130.0 799.1412 110.0 972.0019 100.0 END IONS BEGIN IONS SCANS=8194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8195 PEPMASS=519.0927 CHARGE=-1 COLLISION_ENERGY=0.0 72.9924 300.0 89.0215 110.0 110.0309 270.0 111.0342 150.0 135.0441 270.0 136.0592 170.0 161.0156 110.0 173.036 160.0 185.0227 370.0 186.0292 110.0 193.0668 160.0 219.3912 100.0 237.0451 100.0 249.0501 140.0 251.0376 130.0 267.063 300.0 271.1601 220.0 277.0461 460.0 279.0258 800.0 280.0389 220.0 293.0481 150.0 295.0546 680.0 304.0271 140.0 321.0367 570.0 322.0397 320.0 339.044 230.0 764.5417 130.0 END IONS BEGIN IONS SCANS=8196 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8197 PEPMASS=269.0453 CHARGE=-1 COLLISION_ENERGY=0.0 63.0267 170.0 65.0039 570.0 65.0232 210.0 89.0407 110.0 107.0326 130.0 117.0354 1600.0 121.0332 140.0 227.033 150.0 253.0653 120.0 667.3026 100.0 END IONS BEGIN IONS SCANS=8198 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8199 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8201 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8202 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8203 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8204 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8205 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8206 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8207 PEPMASS=739.1258 CHARGE=-1 COLLISION_ENERGY=0.0 109.0304 560.0 126.0124 150.0 129.0274 110.0 133.0091 110.0 135.0411 150.0 155.9692 100.0 161.0524 130.0 185.0243 390.0 187.032 120.0 191.0281 200.0 204.0398 110.0 206.0461 150.0 219.022 220.0 219.0289 380.0 220.0172 170.0 225.0149 140.0 232.0183 210.0 250.0624 260.0 269.0861 210.0 269.5883 130.0 271.0615 130.0 277.0421 100.0 291.063 4700.0 291.1708 140.0 292.0693 960.0 294.0362 110.0 295.0608 790.0 296.0476 110.0 301.0115 140.0 306.0806 100.0 313.0782 230.0 317.0445 650.0 318.0473 170.0 321.0266 100.0 321.0347 260.0 333.0302 110.0 335.0536 5200.0 335.1563 160.0 336.0599 750.0 343.016 110.0 344.0175 160.0 361.029 630.0 379.0436 910.0 380.0543 210.0 380.0651 100.0 382.052 150.0 432.0398 270.0 434.098 160.0 471.0929 110.0 498.0743 100.0 515.0881 650.0 515.0999 330.0 516.0871 230.0 516.1069 300.0 559.08 160.0 559.0919 310.0 560.0959 120.0 652.8894 200.0 740.3627 150.0 END IONS BEGIN IONS SCANS=8208 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8209 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8211 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8212 PEPMASS=713.1127 CHARGE=-1 COLLISION_ENERGY=0.0 72.9911 370.0 87.0227 180.0 93.0295 170.0 109.0279 3400.0 109.5068 110.0 109.8393 100.0 123.0456 230.0 129.0276 180.0 133.0308 110.0 135.0431 690.0 149.0202 490.0 151.0435 120.0 151.7156 130.0 157.0326 200.0 159.0387 180.0 159.0486 180.0 173.0226 320.0 177.017 210.0 179.0258 200.0 179.0365 780.0 184.0164 320.0 185.0204 4600.0 185.0879 320.0 185.1316 190.0 185.1831 140.0 186.0274 490.0 186.0617 140.0 193.0602 310.0 195.0233 140.0 196.0414 110.0 197.0433 1300.0 203.0384 330.0 213.012 180.0 215.0602 110.0 219.0468 100.0 220.0441 130.0 224.0585 160.0 230.0127 170.0 235.1954 150.0 237.0344 140.0 239.0676 190.0 239.7386 100.0 247.0352 320.0 248.0428 260.0 249.0523 940.0 250.0253 310.0 251.0275 380.0 252.0211 190.0 258.9493 110.0 265.0405 190.0 266.05 200.0 267.0632 750.0 267.1387 120.0 269.0714 120.0 269.0776 170.0 270.0914 110.0 275.0327 150.0 276.0399 190.0 277.0472 1900.0 277.0596 180.0 279.03 1900.0 279.1243 150.0 280.0367 1100.0 291.0226 170.0 292.0487 130.0 293.0461 4700.0 293.1494 110.0 294.0437 410.0 294.05 410.0 294.1273 110.0 295.0602 9200.0 295.2495 190.0 295.2586 100.0 295.9677 150.0 296.0639 1600.0 296.1227 170.0 303.0295 270.0 307.0591 110.0 309.043 240.0 311.059 480.0 312.0555 200.0 313.0674 310.0 317.0372 190.0 317.8992 110.0 319.0257 2300.0 319.1806 120.0 320.0307 580.0 320.0986 160.0 321.0403 36000.0 321.7948 220.0 322.0451 1900.0 322.1821 110.0 322.3558 140.0 322.932 110.0 323.0377 440.0 328.082 230.0 335.7144 160.0 335.7735 110.0 337.0341 1400.0 337.8263 120.0 339.0521 14000.0 339.2208 270.0 339.4408 140.0 339.607 110.0 339.6877 170.0 339.7332 110.0 340.0575 1100.0 340.2222 170.0 340.7131 110.0 340.7394 110.0 343.0076 170.0 343.8242 100.0 352.0565 100.0 354.0936 200.0 363.0479 260.0 371.0376 130.0 389.0579 120.0 421.58 110.0 429.0934 120.0 447.1118 240.0 448.1262 120.0 473.0864 3700.0 473.2852 140.0 474.1048 440.0 474.3481 110.0 474.6932 120.0 475.1092 300.0 477.2187 120.0 489.0849 170.0 490.0734 110.0 491.0945 530.0 492.1105 240.0 493.1137 1300.0 494.1165 340.0 516.0567 180.0 517.0818 1700.0 517.2751 110.0 518.0742 390.0 519.0945 17000.0 520.0974 1000.0 520.1584 290.0 520.2555 100.0 520.8491 130.0 521.0884 150.0 521.1722 100.0 535.1027 160.0 537.1063 370.0 537.1758 110.0 598.2862 150.0 663.081 110.0 679.4515 140.0 695.0717 140.0 714.0988 100.0 715.1386 400.0 717.1413 580.0 718.2449 120.0 761.1084 100.0 END IONS BEGIN IONS SCANS=8213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8215 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8216 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8217 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8218 PEPMASS=625.1353 CHARGE=-1 COLLISION_ENERGY=0.0 127.864 100.0 146.6751 130.0 269.0357 160.0 279.0242 110.0 294.0445 180.0 299.1077 110.0 319.0609 240.0 321.0487 890.0 322.0419 180.0 339.0497 830.0 339.7032 110.0 340.0475 290.0 351.0559 130.0 405.074 240.0 428.1595 260.0 469.795 140.0 473.0854 1800.0 473.2817 120.0 474.0914 410.0 475.0852 160.0 569.9506 120.0 625.0522 100.0 628.1989 200.0 867.4552 110.0 END IONS BEGIN IONS SCANS=8219 PEPMASS=711.0949 CHARGE=-1 COLLISION_ENERGY=0.0 72.9944 220.0 91.0521 190.0 109.0295 670.0 109.0698 100.0 109.1122 100.0 135.0431 490.0 149.027 160.0 151.035 370.0 177.0158 340.0 179.036 130.0 185.0226 1300.0 186.0314 470.0 193.0096 190.0 220.9715 120.0 221.0586 130.0 239.0674 100.0 240.1389 110.0 249.0554 330.0 251.0218 130.0 251.0737 220.0 265.0556 200.0 267.0568 490.0 269.0756 130.0 276.0362 160.0 277.046 260.0 279.028 520.0 280.0317 210.0 291.0299 180.0 292.5774 100.0 293.0454 2700.0 293.1336 320.0 293.2008 130.0 293.6561 100.0 294.0479 420.0 295.0607 1400.0 295.1513 110.0 295.698 130.0 296.0599 240.0 311.0503 200.0 312.0568 180.0 319.0267 1700.0 320.0317 300.0 321.0401 4300.0 321.2056 130.0 323.0592 130.0 337.0303 510.0 339.0504 1900.0 344.9957 170.0 423.2928 130.0 489.1039 110.0 517.0685 200.0 647.9999 130.0 END IONS BEGIN IONS SCANS=8220 PEPMASS=672.1418 CHARGE=-1 COLLISION_ENERGY=0.0 88.6754 280.0 91.6642 150.0 150.0275 160.0 159.0384 210.0 186.0237 300.0 235.0769 120.0 243.0273 150.0 249.0227 170.0 250.0483 140.0 268.0661 190.0 276.0361 150.0 278.0581 180.0 279.0433 240.0 280.0307 160.0 281.0216 200.0 293.0402 110.0 295.0606 420.0 296.0576 560.0 321.0358 950.0 321.1098 130.0 322.0337 1200.0 323.0517 250.0 339.0416 150.0 340.0472 370.0 340.0881 120.0 474.0794 120.0 577.9713 140.0 END IONS BEGIN IONS SCANS=8221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8228 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8232 PEPMASS=740.1295 CHARGE=-1 COLLISION_ENERGY=0.0 159.0416 330.0 167.7292 110.0 179.0371 220.0 185.0215 120.0 186.0208 110.0 220.0308 490.0 291.0629 1200.0 292.0673 1100.0 293.047 340.0 295.0668 150.0 302.019 150.0 313.0683 120.0 317.049 210.0 318.0601 100.0 319.0511 110.0 321.0349 120.0 335.0526 780.0 336.0561 540.0 337.0556 290.0 343.0158 110.0 361.0393 230.0 362.037 130.0 380.0425 500.0 473.0839 200.0 515.0961 310.0 516.0865 340.0 517.0889 200.0 END IONS BEGIN IONS SCANS=8233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8238 PEPMASS=671.1394 CHARGE=-1 COLLISION_ENERGY=0.0 109.0276 160.0 185.0235 260.0 186.0326 280.0 213.0153 130.0 243.0289 360.0 249.0542 180.0 277.0529 340.0 278.0414 170.0 293.0502 500.0 295.0612 520.0 296.0583 400.0 312.0579 220.0 321.0385 2400.0 321.2017 150.0 322.0384 1200.0 323.0484 310.0 339.0525 800.0 340.0501 780.0 366.0596 170.0 394.0741 120.0 429.1088 130.0 END IONS BEGIN IONS SCANS=8239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8242 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8249 PEPMASS=667.3898 CHARGE=-1 COLLISION_ENERGY=0.0 71.0138 670.0 71.0401 180.0 83.0141 430.0 89.0223 210.0 101.0245 250.0 111.0093 200.0 113.0243 350.0 159.0375 120.0 161.048 160.0 162.0439 140.0 309.0664 110.0 310.0367 180.0 343.2717 230.0 361.0692 120.0 402.1102 120.0 454.2557 130.0 487.3333 100.0 505.3417 100.0 506.347 150.0 507.3594 210.0 577.3184 120.0 667.38 210.0 668.3985 180.0 669.3718 190.0 END IONS BEGIN IONS SCANS=8250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8251 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8252 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8256 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8258 PEPMASS=737.1115 CHARGE=-1 COLLISION_ENERGY=0.0 135.0408 140.0 185.0269 110.0 240.0006 120.0 251.7346 100.0 270.0825 210.0 290.0447 170.0 291.0616 920.0 292.0753 170.0 293.0554 230.0 295.0597 450.0 296.0646 230.0 299.013 110.0 311.0509 300.0 313.0718 120.0 317.0426 430.0 317.0988 160.0 321.0403 330.0 321.1168 130.0 334.0338 160.0 335.052 2600.0 336.0567 250.0 339.0538 230.0 339.6693 140.0 343.0177 270.0 361.0293 1800.0 362.0426 140.0 362.714 120.0 363.0358 170.0 379.0396 900.0 380.0253 110.0 381.0541 170.0 399.075 130.0 420.0463 200.0 429.0988 100.0 461.0184 160.0 470.0996 150.0 495.0499 130.0 496.0765 280.0 506.1869 110.0 513.0831 310.0 515.0943 5600.0 515.2955 220.0 515.3883 140.0 515.5659 120.0 515.8303 130.0 515.8907 170.0 516.0968 1800.0 516.2254 200.0 517.0737 180.0 519.0861 240.0 539.0909 120.0 541.0713 1600.0 541.274 120.0 541.7108 110.0 542.0742 510.0 542.9628 180.0 543.0977 140.0 557.0519 310.0 558.0693 250.0 559.0827 5400.0 560.082 1800.0 560.511 190.0 561.0832 160.0 567.0587 170.0 575.0381 180.0 663.064 200.0 677.1495 120.0 695.1333 930.0 696.1384 300.0 696.2663 170.0 737.1232 180.0 737.3586 140.0 738.1154 110.0 739.1264 3800.0 739.3573 170.0 739.424 140.0 739.5127 140.0 740.1268 1100.0 740.3413 230.0 740.7769 100.0 740.9339 140.0 741.1287 370.0 742.1304 180.0 779.0795 130.0 END IONS BEGIN IONS SCANS=8259 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8265 PEPMASS=703.366 CHARGE=-1 COLLISION_ENERGY=0.0 71.0153 110.0 89.0259 340.0 101.0241 210.0 152.0353 130.0 167.1079 240.0 179.0581 270.0 181.0519 260.0 232.0604 110.0 285.1264 170.0 327.131 130.0 388.3218 140.0 448.1425 130.0 667.3827 580.0 853.858 130.0 END IONS BEGIN IONS SCANS=8266 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8275 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8276 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8277 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8278 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8279 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8281 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8282 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8292 PEPMASS=519.0927 CHARGE=-1 COLLISION_ENERGY=0.0 109.0332 180.0 135.045 260.0 161.0212 160.0 166.0129 140.0 173.0297 130.0 185.0223 250.0 239.0731 280.0 249.0595 150.0 251.0335 310.0 267.0635 110.0 275.0365 220.0 280.0437 170.0 292.0308 290.0 293.0448 270.0 295.0557 590.0 303.0304 210.0 321.0439 570.0 342.8969 200.0 493.2385 170.0 END IONS BEGIN IONS SCANS=8293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8296 PEPMASS=679.3678 CHARGE=-1 COLLISION_ENERGY=0.0 89.0198 150.0 91.026 170.0 99.0121 110.0 101.024 120.0 160.0147 110.0 228.048 110.0 300.0318 110.0 314.0452 130.0 315.0476 710.0 355.0777 150.0 359.1185 180.0 421.168 140.0 431.0944 120.0 441.9766 100.0 474.3279 110.0 481.2515 100.0 485.3368 150.0 517.3179 2600.0 518.322 880.0 519.326 350.0 531.3257 160.0 532.3174 120.0 559.3315 230.0 560.3383 280.0 643.2521 210.0 770.8894 110.0 868.7321 120.0 927.269 220.0 END IONS BEGIN IONS SCANS=8297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8299 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8305 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8307 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8309 PEPMASS=341.1954 CHARGE=-1 COLLISION_ENERGY=0.0 73.0309 170.0 78.9563 200.0 83.0493 150.0 87.0526 270.0 99.0453 210.0 102.1822 110.0 115.0775 110.0 116.0711 340.0 125.0942 180.0 130.8926 150.0 132.9004 110.0 135.0795 110.0 138.9207 140.0 139.0746 340.0 141.0866 200.0 142.9886 130.0 146.8599 160.0 150.8876 100.0 158.8883 150.0 161.0241 280.0 169.9777 150.0 171.1075 190.0 183.1376 230.0 185.8933 150.0 201.1148 430.0 202.1171 120.0 209.12 640.0 213.109 230.0 216.8891 190.0 226.0713 230.0 227.1228 120.0 235.1401 520.0 237.1412 120.0 238.8118 230.0 244.0015 130.0 279.1936 150.0 309.1922 150.0 313.0323 130.0 341.1958 140.0 343.1393 180.0 343.2128 920.0 344.2111 100.0 345.2289 380.0 345.3291 110.0 640.6557 130.0 758.7637 120.0 766.1383 190.0 END IONS BEGIN IONS SCANS=8310 PEPMASS=981.2651 CHARGE=-1 COLLISION_ENERGY=0.0 61.9913 120.0 92.9303 130.0 111.7883 110.0 134.8588 110.0 143.1661 110.0 148.9069 130.0 165.0482 160.0 212.9402 130.0 222.8839 140.0 265.0663 170.0 311.5725 150.0 312.0756 140.0 320.1238 140.0 322.0503 100.0 336.0171 200.0 350.0451 140.0 365.0647 9000.0 365.235 420.0 365.3009 100.0 365.3371 100.0 366.0625 2100.0 366.0735 590.0 366.174 120.0 367.0727 1000.0 374.847 130.0 387.1378 160.0 408.1121 120.0 408.5043 100.0 445.2132 170.0 451.1204 120.0 469.137 150.0 471.1359 120.0 500.6092 210.0 512.1002 120.0 546.502 120.0 547.2463 130.0 585.0741 140.0 596.019 150.0 632.6115 160.0 639.2496 170.0 655.1648 130.0 745.078 200.0 785.4028 130.0 789.1305 120.0 812.1967 140.0 835.2034 1400.0 836.2103 530.0 836.2487 140.0 837.2044 410.0 935.2288 140.0 971.2717 110.0 981.2655 3000.0 981.4527 330.0 981.5466 160.0 981.7235 140.0 982.2635 1800.0 982.5495 110.0 982.6097 130.0 983.2661 560.0 983.3955 120.0 983.5995 180.0 984.1551 110.0 984.3138 160.0 984.4579 180.0 END IONS BEGIN IONS SCANS=8311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8318 PEPMASS=740.1292 CHARGE=-1 COLLISION_ENERGY=0.0 109.0282 130.0 173.0231 160.0 219.0246 110.0 247.097 120.0 277.0495 130.0 291.0579 890.0 291.1434 130.0 292.0625 640.0 293.0637 240.0 295.0613 300.0 321.0307 130.0 323.029 130.0 335.053 430.0 336.0528 340.0 339.0519 160.0 340.0531 140.0 343.0112 110.0 361.0464 160.0 362.0287 140.0 379.0424 370.0 380.0433 260.0 387.0894 160.0 430.2103 100.0 439.0412 110.0 517.0728 140.0 541.0741 130.0 723.2428 100.0 END IONS BEGIN IONS SCANS=8319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8322 PEPMASS=0.0 CHARGE=1 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8337 PEPMASS=761.1077 CHARGE=-1 COLLISION_ENERGY=0.0 133.0309 220.0 159.0372 180.0 165.0478 120.0 173.023 130.0 180.0327 130.0 201.0156 140.0 219.029 230.0 289.0124 110.0 290.0511 190.0 291.0644 930.0 292.0645 170.0 292.1738 110.0 293.0517 120.0 301.0069 110.0 331.0472 120.0 335.0458 370.0 335.1025 120.0 336.0543 130.0 340.0769 110.0 343.0169 120.0 357.0287 430.0 361.0407 460.0 384.0074 100.0 385.0315 130.0 401.017 480.0 401.0726 120.0 402.0163 280.0 492.0862 240.0 493.0738 190.0 503.0618 140.0 520.0686 120.0 537.0605 250.0 538.0317 100.0 581.0682 200.0 END IONS BEGIN IONS SCANS=8338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8340 PEPMASS=209.1172 CHARGE=-1 COLLISION_ENERGY=0.0 60.0155 120.0 96.9436 270.0 100.9539 200.0 136.9292 180.0 137.49 130.0 191.0651 130.0 616.4262 140.0 END IONS BEGIN IONS SCANS=8341 PEPMASS=0.0 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267.0631 950.0 268.0748 150.0 269.0685 280.0 275.0354 260.0 276.0415 120.0 277.049 4100.0 277.131 170.0 277.1968 120.0 278.0567 180.0 279.0295 5200.0 279.1633 160.0 279.1806 160.0 279.2421 110.0 280.0276 270.0 280.0364 1900.0 280.1231 110.0 280.1367 100.0 280.2339 130.0 289.0472 120.0 291.0122 110.0 292.0371 120.0 293.0423 5200.0 293.1542 220.0 293.1951 110.0 294.047 880.0 294.0571 170.0 295.0609 13000.0 295.1584 230.0 295.643 120.0 295.8566 110.0 295.9304 110.0 296.062 2300.0 296.1267 210.0 296.2776 100.0 303.0314 560.0 304.0388 390.0 307.0616 190.0 311.0509 180.0 311.0622 100.0 313.0622 260.0 319.0182 590.0 319.0258 110.0 320.0276 450.0 320.043 140.0 321.0395 72000.0 321.2006 1600.0 322.0421 12000.0 322.1631 180.0 322.2088 120.0 322.3787 100.0 322.4649 170.0 322.5574 150.0 322.7929 130.0 322.9271 110.0 323.0442 1300.0 323.2353 120.0 337.028 310.0 337.037 200.0 338.0292 120.0 339.0497 24000.0 340.0517 4400.0 340.1652 180.0 340.2153 100.0 340.3081 120.0 340.4346 110.0 341.0622 190.0 367.8219 130.0 397.0493 200.0 409.0571 100.0 448.2371 200.0 472.6587 110.0 473.0824 650.0 474.0935 120.0 475.0878 120.0 475.1031 260.0 491.0997 190.0 493.1144 750.0 495.1098 130.0 517.0691 630.0 519.0926 27000.0 520.0963 6900.0 520.892 280.0 521.0411 100.0 521.0943 820.0 521.1228 100.0 521.2036 240.0 536.0929 160.0 537.0994 770.0 538.0995 150.0 538.1944 140.0 621.4108 150.0 671.1535 290.0 674.1307 150.0 717.1465 920.0 718.1422 160.0 END IONS BEGIN IONS SCANS=8376 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8377 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8378 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8379 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8380 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8381 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8382 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8383 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8384 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8385 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8386 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8387 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8388 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8389 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8390 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8391 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8392 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8393 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8394 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8395 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8396 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8397 PEPMASS=739.1265 CHARGE=-1 COLLISION_ENERGY=0.0 65.0386 260.0 77.0359 120.0 109.0276 1900.0 110.0279 120.0 123.0396 150.0 135.04 310.0 135.0442 260.0 136.0546 160.0 147.0403 150.0 159.0386 480.0 159.0432 1000.0 159.0508 300.0 173.0207 130.0 174.5013 100.0 180.0315 120.0 185.0155 250.0 185.0218 1300.0 185.0555 140.0 186.0244 190.0 191.0298 110.0 201.0092 360.0 201.0127 130.0 203.0269 140.0 203.04 180.0 204.0282 110.0 219.022 610.0 219.0295 550.0 220.0248 110.0 235.2021 140.0 253.0417 190.0 266.049 270.0 266.0892 110.0 267.0722 120.0 269.0785 1000.0 269.0889 160.0 270.1038 150.0 291.0624 7800.0 291.16 150.0 291.2143 270.0 291.2973 130.0 291.3951 100.0 292.058 360.0 292.0625 920.0 292.0727 180.0 293.0578 260.0 294.0683 140.0 295.0626 1800.0 296.0537 370.0 301.0069 190.0 301.0156 150.0 303.1457 120.0 312.0592 190.0 313.0382 110.0 313.0655 270.0 317.0386 1200.0 318.04 130.0 321.0383 120.0 334.0449 150.0 335.0506 12000.0 335.6448 100.0 336.0583 2200.0 336.1169 130.0 337.0607 260.0 339.043 660.0 340.0373 100.0 340.0527 150.0 343.0224 850.0 344.0266 130.0 353.0446 160.0 355.9847 150.0 361.0318 2100.0 361.1056 160.0 362.0331 130.0 363.0307 150.0 363.0626 260.0 373.2821 100.0 378.98 150.0 379.0398 1600.0 379.0461 420.0 379.0563 280.0 379.1377 100.0 380.0416 740.0 401.7258 170.0 432.0263 150.0 465.0392 100.0 471.0962 210.0 471.8739 110.0 473.0753 110.0 482.0313 110.0 515.0903 2000.0 516.0913 840.0 517.0746 120.0 517.0958 270.0 517.1081 120.0 541.0635 110.0 553.8625 120.0 559.0654 720.0 559.0811 140.0 559.1334 160.0 560.0739 210.0 561.1075 110.0 563.0928 110.0 581.0726 110.0 END IONS BEGIN IONS SCANS=8398 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8399 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8400 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8401 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8403 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8406 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8407 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8408 PEPMASS=358.0679 CHARGE=-1 COLLISION_ENERGY=0.0 72.9931 1900.0 73.0737 110.0 74.0256 100.0 109.0333 120.0 123.0408 220.0 135.0441 1100.0 135.0742 220.0 136.0571 120.0 152.1878 100.0 161.0232 310.0 169.1242 110.0 179.0339 390.0 180.0385 220.0 186.0263 170.0 195.0538 140.0 197.0472 870.0 198.0557 150.0 241.0857 170.0 277.0477 390.0 280.0477 190.0 281.0423 210.0 295.0668 710.0 321.0416 1100.0 321.1386 170.0 322.0448 170.0 322.1633 110.0 324.0506 110.0 339.0516 960.0 340.0548 120.0 522.6784 210.0 END IONS BEGIN IONS SCANS=8409 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8410 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8411 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8412 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8413 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8414 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8420 PEPMASS=740.1304 CHARGE=-1 COLLISION_ENERGY=0.0 219.0264 240.0 291.0687 280.0 292.0668 220.0 295.0541 180.0 321.0426 230.0 335.0483 420.0 336.0502 310.0 339.0435 130.0 362.037 250.0 515.0977 340.0 516.1016 810.0 517.1169 160.0 542.0914 120.0 559.078 610.0 560.0966 1300.0 561.0708 250.0 597.4355 110.0 670.1227 160.0 696.143 120.0 697.1759 110.0 740.1193 610.0 741.1354 250.0 741.3901 130.0 770.0529 180.0 END IONS BEGIN IONS SCANS=8421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8422 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8423 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8424 PEPMASS=731.1238 CHARGE=-1 COLLISION_ENERGY=0.0 72.9935 110.0 109.0269 610.0 135.0431 200.0 137.023 150.0 158.038 140.0 179.299 130.0 184.0117 220.0 185.0245 630.0 197.0446 180.0 247.0388 110.0 248.0389 190.0 266.0496 260.0 267.0606 330.0 277.04 190.0 279.0283 300.0 280.0395 110.0 283.0506 270.0 291.0281 190.0 293.0442 590.0 295.0597 1000.0 295.1551 100.0 296.0552 370.0 309.0337 160.0 320.031 270.0 321.0364 1800.0 322.0437 270.0 333.0092 120.0 337.037 160.0 339.0438 900.0 352.0025 120.0 353.0338 330.0 371.028 180.0 482.0183 100.0 END IONS BEGIN IONS SCANS=8425 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8426 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8427 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8428 PEPMASS=711.0906 CHARGE=-1 COLLISION_ENERGY=0.0 105.0356 110.0 109.0287 540.0 133.0274 670.0 145.0163 140.0 149.0194 510.0 150.0206 290.0 151.0454 160.0 158.0316 260.0 159.0369 210.0 161.0189 110.0 179.0288 190.0 185.0217 1100.0 185.1946 110.0 185.3073 150.0 185.4844 110.0 186.0227 180.0 191.0423 100.0 197.0425 420.0 203.0337 190.0 209.0655 100.0 219.0458 110.0 225.0509 210.0 237.0373 180.0 239.0501 120.0 241.0404 160.0 247.0395 290.0 249.0562 140.0 250.0493 180.0 263.0348 360.0 264.0298 100.0 265.0449 250.0 267.064 250.0 268.0603 110.0 269.0849 140.0 275.0326 250.0 276.041 190.0 277.0459 930.0 278.6036 110.0 279.0283 320.0 280.0461 100.0 291.027 450.0 293.044 2100.0 294.0409 620.0 295.0588 2200.0 304.026 180.0 307.057 110.0 311.0523 500.0 319.0256 1200.0 319.1191 140.0 320.026 440.0 321.0356 3600.0 321.1558 210.0 321.1964 190.0 322.0437 190.0 335.853 170.0 337.0396 170.0 339.0457 1700.0 339.2048 110.0 340.045 290.0 340.1103 100.0 364.0519 110.0 399.069 180.0 403.0225 190.0 428.0746 150.0 433.1022 110.0 517.0631 100.0 890.3229 120.0 END IONS BEGIN IONS SCANS=8429 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8430 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8431 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8432 PEPMASS=341.196 CHARGE=-1 COLLISION_ENERGY=0.0 65.0401 240.0 66.0449 260.0 83.0527 190.0 94.0012 180.0 97.0338 230.0 99.0439 200.0 111.0795 160.0 113.0615 230.0 138.9193 190.0 141.0914 130.0 148.1 210.0 181.1184 210.0 181.8652 260.0 199.1333 260.0 269.1176 260.0 END IONS BEGIN IONS SCANS=8433 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8434 PEPMASS=672.142 CHARGE=-1 COLLISION_ENERGY=0.0 69.691 110.0 72.9936 100.0 109.0288 860.0 110.0353 220.0 135.0393 260.0 157.0302 110.0 173.0186 140.0 185.0265 400.0 186.025 290.0 203.0304 180.0 213.0051 170.0 225.0616 130.0 229.0122 200.0 235.0292 150.0 239.0281 110.0 239.0777 120.0 249.0538 330.0 253.0259 140.0 265.0369 100.0 276.0249 120.0 277.0454 320.0 279.0314 160.0 279.044 110.0 280.0273 390.0 280.0376 320.0 280.0802 110.0 281.0381 130.0 293.0402 280.0 294.047 620.0 294.085 110.0 295.058 410.0 296.0587 950.0 297.062 130.0 303.028 130.0 304.0344 140.0 321.0387 2700.0 322.0449 2800.0 323.0521 270.0 323.0622 150.0 324.0462 150.0 339.0462 820.0 340.0491 680.0 342.0583 120.0 474.088 630.0 474.1483 110.0 564.0241 120.0 857.7031 140.0 858.9438 120.0 END IONS BEGIN IONS SCANS=8435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8444 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8445 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8447 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8448 PEPMASS=519.0924 CHARGE=-1 COLLISION_ENERGY=0.0 74.0266 230.0 109.0331 440.0 174.021 100.0 185.0259 250.0 186.0237 240.0 187.0372 180.0 250.049 430.0 251.0314 340.0 252.0346 130.0 265.0496 140.0 277.0497 270.0 278.0503 180.0 279.0269 760.0 280.0273 570.0 293.0415 490.0 319.0237 160.0 321.0379 1100.0 322.0374 190.0 455.115 110.0 END IONS BEGIN IONS SCANS=8449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8456 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8457 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8469 PEPMASS=717.1423 CHARGE=-1 COLLISION_ENERGY=0.0 108.019 190.0 109.0303 680.0 184.0146 130.0 185.021 850.0 186.0286 300.0 197.0487 110.0 224.0343 120.0 249.0571 170.0 250.03 130.0 277.0473 350.0 278.0579 160.0 279.0281 720.0 280.0334 460.0 293.0413 610.0 293.165 100.0 293.9993 140.0 294.0478 170.0 295.0627 1600.0 296.0704 150.0 298.0692 170.0 312.4959 260.0 314.0665 170.0 321.0376 7100.0 321.1306 610.0 321.1997 420.0 321.7379 110.0 322.0405 1600.0 322.1222 210.0 323.0404 110.0 324.0507 130.0 339.047 2200.0 339.2176 140.0 340.0545 590.0 340.1136 170.0 END IONS BEGIN IONS SCANS=8470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8474 PEPMASS=669.1212 CHARGE=-1 COLLISION_ENERGY=0.0 96.9638 140.0 145.0278 110.0 185.024 340.0 193.059 140.0 219.0129 130.0 229.005 160.0 248.0521 220.0 267.0681 160.0 277.04 220.0 277.0895 100.0 279.0321 350.0 280.0401 170.0 281.0482 140.0 293.0648 340.0 295.0625 330.0 296.0481 230.0 321.035 6600.0 321.1336 460.0 321.1975 280.0 321.5077 100.0 322.0414 1400.0 322.1438 100.0 322.6574 130.0 325.1369 110.0 337.0458 100.0 339.0455 4300.0 339.2137 150.0 339.3203 110.0 340.0542 250.0 341.0497 110.0 351.0294 120.0 354.0552 110.0 362.0246 130.0 363.0412 120.0 429.0866 230.0 447.1036 230.0 448.101 120.0 449.1082 110.0 473.0817 6200.0 473.2192 350.0 473.2829 250.0 474.087 1700.0 474.6863 110.0 475.0985 380.0 476.0873 290.0 481.7622 130.0 491.0806 220.0 518.0687 180.0 519.0855 4300.0 519.2285 270.0 519.289 160.0 519.3399 130.0 519.4111 110.0 520.0901 770.0 521.0886 100.0 532.5165 190.0 556.2339 130.0 619.5883 230.0 669.1261 130.0 669.3083 100.0 671.1517 140.0 END IONS BEGIN IONS SCANS=8475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8476 PEPMASS=671.1386 CHARGE=-1 COLLISION_ENERGY=0.0 109.0254 300.0 135.0429 120.0 185.0225 410.0 186.0198 150.0 225.05 110.0 242.0132 230.0 248.0487 120.0 249.0504 380.0 250.0496 120.0 266.0701 120.0 277.0434 410.0 278.06 190.0 279.0356 270.0 280.0226 140.0 281.0357 120.0 293.0459 200.0 295.0573 540.0 297.061 100.0 303.0239 170.0 321.0354 2500.0 321.1441 220.0 321.1958 160.0 322.0376 750.0 339.045 260.0 340.045 310.0 340.1087 160.0 340.1436 100.0 END IONS BEGIN IONS SCANS=8477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8481 PEPMASS=711.0986 CHARGE=-1 COLLISION_ENERGY=0.0 105.0367 140.0 109.0296 1200.0 109.086 100.0 110.4101 120.0 121.0255 160.0 133.0299 320.0 135.0121 200.0 149.0242 110.0 150.0258 120.0 151.0374 600.0 159.0419 540.0 159.0765 160.0 173.0255 260.0 177.0185 100.0 179.0383 390.0 185.0208 2000.0 186.0291 160.0 195.0335 270.0 197.0501 170.0 221.0473 120.0 222.0587 170.0 223.0763 110.0 225.0453 110.0 232.0547 110.0 235.0446 120.0 236.0398 230.0 237.0519 660.0 237.1019 110.0 249.0523 510.0 250.0342 160.0 252.0489 270.0 255.0668 260.0 263.0453 410.0 265.0509 410.0 267.0636 510.0 268.0762 100.0 269.0752 150.0 274.021 130.0 275.042 170.0 276.0425 170.0 277.046 940.0 278.054 160.0 279.03 1300.0 280.0412 110.0 291.0326 290.0 292.0333 380.0 293.0457 3300.0 293.1466 220.0 293.7873 110.0 294.0449 400.0 294.1357 170.0 295.0615 1900.0 303.0255 150.0 311.0506 840.0 311.1109 120.0 319.0239 1800.0 319.3676 110.0 320.0228 340.0 321.0426 2900.0 321.2072 140.0 322.0351 170.0 322.5426 110.0 323.041 160.0 337.0318 460.0 339.0496 2600.0 339.2138 110.0 367.0517 100.0 381.0761 110.0 411.0886 140.0 485.0336 180.0 491.0954 190.0 END IONS BEGIN IONS SCANS=8482 PEPMASS=718.1486 CHARGE=-1 COLLISION_ENERGY=0.0 109.0289 470.0 135.0444 250.0 185.0166 330.0 186.0304 380.0 197.0381 180.0 198.0344 220.0 240.0759 130.0 249.0399 120.0 251.0699 180.0 252.0455 200.0 253.0333 150.0 266.0454 170.0 277.0468 250.0 278.0506 240.0 279.0306 270.0 281.033 170.0 293.0489 260.0 294.0496 360.0 295.0545 500.0 296.0613 720.0 303.0397 120.0 304.0345 140.0 310.5307 110.0 313.353 130.0 321.04 2400.0 322.0437 2500.0 323.0469 550.0 339.0476 810.0 339.1084 120.0 340.0512 1100.0 341.0494 210.0 342.0912 130.0 END IONS BEGIN IONS SCANS=8483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8484 PEPMASS=505.1844 CHARGE=-1 COLLISION_ENERGY=0.0 71.0132 210.0 119.9434 210.0 149.044 130.0 219.8385 160.0 259.1241 120.0 267.1074 1200.0 268.1165 360.0 268.8771 130.0 269.1204 130.0 270.9703 150.0 299.0796 130.0 300.0862 130.0 304.8136 150.0 305.1742 200.0 318.8783 140.0 325.1183 280.0 327.0442 100.0 353.1063 150.0 414.1317 130.0 422.8606 110.0 432.2877 120.0 473.149 220.0 505.1749 680.0 505.2493 250.0 506.0892 180.0 506.1864 110.0 END IONS BEGIN IONS SCANS=8485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8500 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8506 PEPMASS=667.1393 CHARGE=-1 COLLISION_ENERGY=0.0 84.0189 270.0 92.0221 260.0 102.0322 160.0 105.0366 120.0 109.0286 1500.0 110.0358 140.0 123.0463 350.0 124.0462 140.0 129.0219 150.0 135.0455 130.0 141.065 160.0 145.027 100.0 149.0285 230.0 150.0587 150.0 151.0379 720.0 173.0384 130.0 176.9819 130.0 177.9905 260.0 179.0322 330.0 180.4524 130.0 185.0244 2100.0 185.1157 110.0 186.0287 450.0 189.0184 150.0 193.0654 120.0 201.0157 270.0 201.0232 250.0 212.0096 150.0 221.0621 150.0 222.0259 190.0 225.0598 100.0 226.0587 160.0 229.0201 550.0 233.0538 200.0 234.025 130.0 240.0354 130.0 241.0483 100.0 241.0551 170.0 247.9812 110.0 248.0425 130.0 249.0557 940.0 250.0612 100.0 251.0334 420.0 251.0607 170.0 251.071 150.0 252.0324 190.0 253.0105 210.0 253.0333 210.0 253.0483 150.0 254.0304 170.0 255.0304 150.0 260.0515 130.0 264.0427 170.0 265.0498 380.0 266.0588 120.0 267.0698 240.0 268.0587 100.0 269.0702 150.0 270.009 120.0 275.0352 260.0 275.0725 110.0 276.0445 140.0 277.0503 3600.0 277.1619 150.0 277.2032 140.0 279.0335 1600.0 279.1643 140.0 280.0334 850.0 280.049 130.0 280.0974 120.0 280.8558 170.0 281.0049 320.0 282.0791 220.0 283.024 230.0 289.6883 180.0 291.0294 130.0 292.0318 160.0 293.048 3900.0 293.2064 140.0 294.0528 280.0 294.0861 200.0 295.0616 7100.0 295.1659 310.0 295.2055 100.0 295.258 150.0 296.0532 190.0 296.0621 350.0 298.0109 270.0 302.0359 150.0 303.0338 220.0 303.1916 200.0 304.047 150.0 306.0538 130.0 306.7509 110.0 308.0347 110.0 309.0898 120.0 317.0512 130.0 319.0286 190.0 319.0622 480.0 320.0658 190.0 321.042 19000.0 321.2031 290.0 321.2476 230.0 321.3096 120.0 321.4267 110.0 321.5675 110.0 321.7334 140.0 321.813 110.0 322.0453 2100.0 322.1327 190.0 322.1967 100.0 323.0462 220.0 326.0132 470.0 327.0171 410.0 327.024 110.0 328.0174 140.0 329.0308 110.0 335.053 170.0 337.043 110.0 339.0515 11000.0 339.2171 510.0 339.2602 150.0 339.7417 100.0 340.0475 260.0 340.0546 590.0 340.2722 150.0 340.615 110.0 340.7321 130.0 351.0533 260.0 352.0414 170.0 353.0603 150.0 363.0522 490.0 363.1065 130.0 365.0659 260.0 379.0428 150.0 403.1157 110.0 408.0114 270.0 415.2034 120.0 427.0956 130.0 429.1047 510.0 429.5988 120.0 430.0911 140.0 445.0978 160.0 447.1053 480.0 447.1546 110.0 471.0722 370.0 473.0878 9500.0 473.2861 500.0 473.336 260.0 473.4064 250.0 473.6458 100.0 473.7872 120.0 474.0962 1000.0 474.2387 110.0 474.8957 130.0 475.0862 150.0 475.1268 110.0 489.0668 150.0 490.0721 120.0 490.0961 110.0 491.0948 120.0 506.3266 110.0 507.0958 230.0 517.077 490.0 518.0904 270.0 519.0932 3800.0 519.3095 130.0 519.4675 110.0 520.7616 250.0 523.3484 140.0 528.9172 100.0 573.0265 110.0 607.1202 100.0 635.1364 1700.0 635.2257 100.0 635.2418 140.0 637.1221 120.0 667.1541 1100.0 667.2651 140.0 667.4007 530.0 668.1496 1400.0 669.1433 220.0 669.3849 200.0 671.1597 150.0 END IONS BEGIN IONS SCANS=8507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8509 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8512 PEPMASS=525.2459 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 150.0 91.0512 270.0 122.9492 190.0 171.0976 200.0 177.1587 130.0 209.1565 130.0 222.158 260.0 249.0446 150.0 251.2027 160.0 263.1637 160.0 291.1862 110.0 298.1325 130.0 327.2147 180.0 349.1955 120.0 363.1736 130.0 670.6025 150.0 END IONS BEGIN IONS SCANS=8513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8517 PEPMASS=740.126 CHARGE=-1 COLLISION_ENERGY=0.0 109.0231 140.0 135.035 170.0 161.0464 160.0 185.0251 240.0 219.0175 130.0 240.5068 200.0 272.1003 100.0 283.0354 130.0 291.0597 570.0 292.0562 660.0 293.0658 190.0 295.0594 230.0 301.0012 140.0 315.0693 110.0 317.0415 240.0 318.0248 290.0 335.0485 450.0 336.0499 870.0 336.1028 170.0 337.0486 180.0 339.0574 110.0 340.0645 150.0 361.0192 100.0 379.0421 230.0 380.0348 260.0 515.0878 250.0 516.092 390.0 517.1011 190.0 560.0789 150.0 END IONS BEGIN IONS SCANS=8518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8529 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8530 PEPMASS=849.1631 CHARGE=-1 COLLISION_ENERGY=0.0 295.1037 120.0 339.0508 120.0 357.0649 150.0 431.062 260.0 443.0699 150.0 507.0918 310.0 508.0855 190.0 603.0533 150.0 604.0719 160.0 625.1415 120.0 626.1522 170.0 651.1084 410.0 669.1088 240.0 671.2062 100.0 687.1321 2500.0 687.2438 300.0 687.4858 100.0 688.1325 760.0 688.4561 130.0 689.1372 560.0 690.144 120.0 805.0831 140.0 831.1738 190.0 849.1594 610.0 850.1731 250.0 850.4854 100.0 851.1687 220.0 851.4018 130.0 END IONS BEGIN IONS SCANS=8531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8533 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8534 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8535 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8547 PEPMASS=632.3148 CHARGE=-1 COLLISION_ENERGY=0.0 61.9965 180.0 85.0282 160.0 130.0676 100.0 131.046 160.0 134.8677 110.0 137.1047 120.0 171.0567 100.0 174.9499 150.0 186.1179 110.0 208.774 100.0 209.071 180.0 226.1287 150.0 244.1385 250.0 296.1731 160.0 299.1973 310.0 311.2263 180.0 315.1289 120.0 330.8113 100.0 340.1485 130.0 343.109 150.0 357.1834 280.0 358.1918 140.0 396.2267 150.0 410.0805 120.0 413.2479 660.0 452.2918 120.0 456.2677 110.0 469.3014 110.0 470.3105 110.0 566.3271 380.0 566.3932 100.0 567.3367 420.0 568.3356 130.0 635.3184 200.0 930.4691 270.0 970.7362 130.0 END IONS BEGIN IONS SCANS=8548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8551 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8555 PEPMASS=551.1175 CHARGE=-1 COLLISION_ENERGY=0.0 72.9939 380.0 123.0423 310.0 124.0506 120.0 135.0421 270.0 144.0208 120.0 145.0328 170.0 161.023 120.0 184.0087 230.0 185.0215 130.0 197.0372 380.0 205.0428 190.0 210.0537 120.0 217.0487 140.0 218.5296 100.0 221.046 100.0 233.0414 190.0 234.0544 180.0 244.4143 110.0 251.0341 120.0 252.0471 110.0 259.043 140.0 261.0561 110.0 265.0349 130.0 276.0382 260.0 277.0427 190.0 279.0198 140.0 281.0349 210.0 282.0817 160.0 293.045 340.0 294.0502 260.0 295.054 130.0 297.0721 120.0 309.0569 100.0 311.0428 260.0 321.0394 210.0 339.0918 100.0 353.0591 580.0 354.0611 110.0 365.049 100.0 END IONS BEGIN IONS SCANS=8556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8560 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8567 PEPMASS=983.202 CHARGE=-1 COLLISION_ENERGY=0.0 135.0441 630.0 197.0492 270.0 265.0481 270.0 267.0641 130.0 268.0641 150.0 293.0476 230.0 308.0318 100.0 311.0559 4800.0 311.2678 110.0 312.0578 1100.0 312.144 110.0 313.0464 170.0 401.0308 260.0 490.0693 150.0 491.0983 7200.0 492.1031 2400.0 492.2471 190.0 492.5162 120.0 492.8171 110.0 493.1054 820.0 541.0455 100.0 940.1809 140.0 END IONS BEGIN IONS SCANS=8568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8576 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8578 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8583 PEPMASS=491.0967 CHARGE=-1 COLLISION_ENERGY=0.0 72.9943 410.0 107.0544 130.0 109.0248 130.0 111.0402 140.0 123.0397 560.0 134.0314 390.0 134.0392 280.0 135.0455 3800.0 135.1517 130.0 135.1838 100.0 136.0476 1100.0 137.0518 200.0 159.0418 140.0 179.0335 150.0 180.0395 220.0 197.0522 160.0 211.0684 360.0 211.111 120.0 212.0568 170.0 223.0424 130.0 235.0946 110.0 239.0768 110.0 239.0819 120.0 250.0727 330.0 264.0279 120.0 264.0371 150.0 265.0507 1100.0 266.0509 590.0 267.0639 5700.0 267.6166 130.0 268.0664 1500.0 269.0726 100.0 277.0466 150.0 311.0568 9900.0 311.1974 280.0 311.218 330.0 312.0569 2300.0 312.1714 170.0 312.4189 110.0 312.8885 130.0 313.0629 340.0 984.9672 100.0 END IONS BEGIN IONS SCANS=8584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8586 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8587 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8589 PEPMASS=489.0822 CHARGE=-1 COLLISION_ENERGY=0.0 65.9719 120.0 71.0082 110.0 72.9941 10000.0 73.0472 110.0 73.0739 130.0 73.083 160.0 77.0379 360.0 78.0405 110.0 79.0563 270.0 88.2598 110.0 91.0555 500.0 94.036 140.0 96.3438 110.0 101.0576 120.0 105.0292 120.0 106.0423 270.0 107.0507 2100.0 109.0275 190.0 109.0315 1500.0 109.064 120.0 110.0322 160.0 113.0206 160.0 113.0968 120.0 114.8507 110.0 117.0336 440.0 118.0361 210.0 121.0302 330.0 123.0448 4200.0 123.0758 240.0 125.0308 100.0 127.0813 170.0 133.0248 350.0 134.0306 240.0 134.0361 3100.0 134.0636 160.0 134.1566 140.0 134.7188 120.0 135.0445 100000.0 135.5694 190.0 135.6087 120.0 135.6199 130.0 135.6352 200.0 135.6798 100.0 135.6935 110.0 135.7814 140.0 135.8452 140.0 136.0481 8900.0 136.0874 140.0 136.1501 140.0 136.1592 140.0 136.2249 100.0 136.2452 120.0 151.0344 290.0 151.0387 1900.0 151.0443 390.0 152.0408 120.0 153.049 110.0 153.0541 180.0 157.0291 180.0 159.04 230.0 159.0455 140.0 167.3428 110.0 169.067 200.0 171.0996 270.0 172.2976 130.0 175.0336 150.0 176.0718 100.0 176.5667 160.0 177.0128 110.0 177.022 120.0 178.0216 220.0 178.3379 220.0 179.0338 10000.0 179.0936 300.0 179.1 110.0 179.128 110.0 179.1492 100.0 180.0336 240.0 181.0633 380.0 183.9786 180.0 185.0247 540.0 186.0311 120.0 193.0694 200.0 193.1518 100.0 196.0566 110.0 197.0439 11000.0 197.0904 110.0 197.1743 270.0 197.9693 120.0 198.0419 250.0 198.0574 370.0 198.0696 240.0 203.0023 200.0 203.0423 120.0 207.4382 150.0 209.0581 1300.0 210.0586 110.0 211.0654 110.0 211.0744 890.0 211.1172 160.0 211.1461 120.0 219.0443 540.0 219.0837 110.0 220.0456 360.0 221.0612 370.0 221.0667 110.0 222.071 530.0 223.0578 250.0 223.0697 100.0 224.0426 310.0 226.0736 100.0 229.1503 350.0 230.1483 130.0 233.4354 120.0 235.043 160.0 236.0461 350.0 237.0492 430.0 237.0525 1800.0 237.0638 130.0 237.1113 110.0 237.464 100.0 237.9117 150.0 238.06 510.0 238.0679 210.0 238.0994 120.0 239.0704 710.0 239.0779 130.0 239.099 130.0 240.0636 140.0 240.0795 120.0 242.0509 140.0 246.6448 110.0 247.0295 110.0 247.0365 290.0 247.0422 390.0 247.7714 310.0 248.0412 550.0 248.05 850.0 249.0562 1000.0 249.0627 190.0 250.0656 570.0 252.0421 110.0 253.0442 130.0 253.0497 260.0 256.0728 120.0 258.1406 120.0 262.059 100.0 263.0258 170.0 263.0323 530.0 264.0326 200.0 264.042 960.0 264.0497 420.0 264.0852 100.0 264.3025 120.0 264.5461 110.0 264.7399 100.0 264.879 160.0 265.0509 22000.0 265.1597 350.0 265.1919 140.0 265.2007 440.0 265.2492 290.0 265.3047 160.0 265.45 150.0 265.5281 220.0 266.0562 6200.0 266.1161 120.0 266.1993 150.0 266.3943 100.0 266.8757 110.0 267.0656 100000.0 267.1621 190.0 267.2163 120.0 267.7679 150.0 267.8151 160.0 267.8379 140.0 267.9308 110.0 267.9755 160.0 268.0692 14000.0 268.1251 110.0 268.1515 190.0 268.2124 390.0 268.2205 210.0 268.2628 130.0 268.3162 130.0 268.3244 100.0 268.3805 130.0 268.6059 100.0 268.6713 220.0 269.0627 130.0 269.0726 510.0 269.0802 120.0 269.1266 110.0 269.2498 110.0 269.2671 180.0 269.3745 110.0 269.693 110.0 270.4964 140.0 277.0515 220.0 278.0597 160.0 279.0656 280.0 280.0587 170.0 280.9872 110.0 281.0464 2300.0 281.0496 750.0 281.117 100.0 282.0475 1100.0 282.2301 120.0 283.0315 220.0 283.0571 370.0 291.0258 120.0 291.0517 110.0 291.0775 100.0 293.0437 710.0 293.0515 3500.0 293.1008 130.0 294.0454 730.0 294.0586 310.0 295.0558 320.0 295.062 1500.0 295.1135 130.0 296.0678 230.0 302.3733 100.0 307.0168 250.0 307.071 180.0 307.8446 110.0 307.8825 110.0 307.9363 170.0 307.9682 120.0 308.0513 150.0 308.0645 100.0 308.1738 150.0 308.2167 120.0 308.3425 120.0 308.3601 130.0 308.4769 250.0 308.5424 100.0 308.5894 100.0 308.692 160.0 308.7183 120.0 308.772 140.0 308.8497 160.0 309.0219 220.0 309.041 8800.0 309.1357 230.0 309.1583 170.0 309.1652 140.0 309.1812 210.0 309.1938 130.0 309.2029 110.0 309.2676 100.0 309.3013 120.0 309.3125 130.0 309.4311 120.0 309.5038 110.0 309.667 150.0 309.7992 100.0 310.0343 490.0 310.0448 2200.0 310.1118 130.0 310.1606 110.0 310.2713 220.0 310.3466 120.0 310.6759 100.0 310.7029 110.0 310.7626 140.0 310.9371 130.0 310.9648 160.0 311.0564 370000.0 311.8674 390.0 311.9113 300.0 311.9188 290.0 311.9582 120.0 312.0592 59000.0 312.2221 420.0 312.2422 220.0 312.2659 240.0 312.292 190.0 312.3816 130.0 312.4112 160.0 312.4763 100.0 312.5848 150.0 312.6861 120.0 312.7079 190.0 312.7264 180.0 312.7427 170.0 312.7913 120.0 312.8182 240.0 312.8529 170.0 312.8777 130.0 312.9094 110.0 312.9213 120.0 312.9621 100.0 312.9721 170.0 313.0623 4100.0 313.0801 450.0 313.128 170.0 313.1402 140.0 313.1476 230.0 313.1698 240.0 313.2386 100.0 313.2554 130.0 313.3504 110.0 313.3839 270.0 313.5015 270.0 313.5205 110.0 313.5269 120.0 313.5644 110.0 313.5801 100.0 313.5953 110.0 313.7056 110.0 313.8475 220.0 313.9728 110.0 314.0716 300.0 314.0858 120.0 314.6042 110.0 315.6757 110.0 316.1639 100.0 320.3251 110.0 322.043 240.0 323.0486 160.0 323.0562 600.0 323.0665 250.0 324.0435 120.0 324.0635 120.0 325.0706 110.0 326.0448 140.0 327.1978 130.0 329.0662 110.0 331.0784 100.0 332.609 100.0 336.7636 100.0 339.0544 130.0 379.1177 190.0 384.1066 130.0 394.3898 100.0 399.0925 110.0 401.1564 110.0 403.0797 130.0 403.1148 110.0 417.0957 100.0 418.1165 110.0 429.094 110.0 445.0875 280.0 445.104 130.0 446.0854 210.0 446.1007 530.0 446.1784 100.0 447.1092 300.0 447.134 110.0 459.1571 150.0 473.0985 110.0 478.6199 160.0 485.8221 120.0 486.173 120.0 486.6301 130.0 486.9041 150.0 487.2992 110.0 489.0761 340.0 489.0871 1300.0 489.1316 160.0 489.2744 970.0 490.0789 220.0 490.0926 130.0 490.2581 590.0 491.0988 92000.0 492.1008 23000.0 492.4321 190.0 492.5668 210.0 492.6352 260.0 492.7533 140.0 492.8439 110.0 492.8913 330.0 493.0954 460.0 493.1024 2300.0 493.1731 380.0 493.2409 300.0 493.2915 140.0 493.3082 270.0 493.3981 110.0 493.5489 120.0 493.7131 110.0 493.8324 160.0 493.8601 120.0 493.8803 140.0 493.9664 160.0 494.0401 120.0 494.2331 100.0 494.791 100.0 496.2338 110.0 497.212 100.0 497.3674 110.0 510.8376 120.0 607.1461 120.0 666.0637 100.0 670.4865 120.0 713.6273 170.0 775.5643 160.0 890.6421 130.0 911.9414 140.0 951.1024 110.0 END IONS BEGIN IONS SCANS=8590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8597 PEPMASS=373.0927 CHARGE=-1 COLLISION_ENERGY=0.0 135.0464 750.0 174.9529 170.0 179.0336 1900.0 179.1142 180.0 180.0357 610.0 185.1013 110.0 187.0898 120.0 198.92 110.0 223.1387 120.0 235.0039 220.0 247.1204 120.0 264.1597 110.0 308.0917 120.0 374.2507 150.0 375.2803 240.0 375.3305 140.0 392.3428 110.0 END IONS BEGIN IONS SCANS=8598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8602 PEPMASS=665.3894 CHARGE=-1 COLLISION_ENERGY=0.0 85.0285 140.0 89.0238 240.0 95.0093 110.0 135.0441 140.0 137.0259 150.0 219.0195 110.0 281.0457 210.0 303.0227 100.0 311.0605 110.0 371.1415 120.0 390.0988 190.0 503.3343 800.0 505.3402 160.0 665.3877 3200.0 666.3927 2400.0 666.8551 140.0 667.3816 320.0 END IONS BEGIN IONS SCANS=8603 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8604 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8606 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8609 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8621 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8622 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8627 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8631 PEPMASS=983.2044 CHARGE=-1 COLLISION_ENERGY=0.0 134.0328 100.0 135.0429 750.0 179.0333 300.0 197.0474 270.0 265.0588 170.0 266.0559 120.0 267.0952 150.0 311.0546 6300.0 312.0583 890.0 313.0643 330.0 491.0953 9000.0 492.1002 3400.0 492.4928 130.0 492.6977 120.0 493.0893 560.0 493.3024 110.0 493.8969 110.0 494.0965 330.0 954.408 110.0 END IONS BEGIN IONS SCANS=8632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8636 PEPMASS=549.0648 CHARGE=-1 COLLISION_ENERGY=0.0 65.6111 260.0 72.9939 230.0 77.0417 170.0 109.0268 290.0 109.0472 130.0 110.0312 210.0 135.0454 920.0 161.0205 140.0 179.0391 200.0 185.0242 250.0 196.9697 110.0 197.0486 630.0 206.0053 100.0 211.0211 260.0 217.0567 230.0 231.0292 1200.0 232.043 200.0 249.0518 120.0 251.0512 150.0 266.9715 180.0 277.0439 200.0 277.0827 100.0 279.0239 190.0 280.0274 230.0 293.0443 700.0 293.096 150.0 294.0549 330.0 295.0619 510.0 296.0682 100.0 309.0589 230.0 311.057 1200.0 312.0598 560.0 316.1928 110.0 320.447 130.0 321.0426 11000.0 321.6888 170.0 322.0468 2300.0 322.2044 130.0 322.3391 120.0 323.0476 380.0 327.0877 120.0 333.0427 840.0 334.0386 350.0 339.0493 1100.0 339.6355 100.0 340.0628 350.0 353.0684 5200.0 353.2374 220.0 353.2859 110.0 354.0742 610.0 354.8471 140.0 371.0769 470.0 372.0802 210.0 429.0909 170.0 435.7965 110.0 442.0309 240.0 445.2826 110.0 473.0962 140.0 491.1006 400.0 492.0532 160.0 513.0836 1900.0 514.0809 940.0 514.2073 100.0 519.0963 960.0 519.1711 220.0 521.0013 150.0 522.9853 140.0 529.5489 110.0 550.2542 120.0 551.1205 650.0 551.208 120.0 552.2671 100.0 753.0262 130.0 779.9895 120.0 END IONS BEGIN IONS SCANS=8637 PEPMASS=705.3751 CHARGE=-1 COLLISION_ENERGY=0.0 73.0304 120.0 104.0356 140.0 105.0189 140.0 133.0191 120.0 141.0142 120.0 160.0339 120.0 213.0935 130.0 219.1386 130.0 241.0875 190.0 265.0477 110.0 273.1774 110.0 284.0405 100.0 318.1127 110.0 331.0693 160.0 355.127 120.0 389.1008 140.0 507.348 420.0 508.3709 130.0 509.3603 150.0 511.1902 160.0 546.0831 100.0 669.4134 380.0 670.4153 280.0 757.9518 110.0 END IONS BEGIN IONS SCANS=8638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8639 PEPMASS=491.0972 CHARGE=-1 COLLISION_ENERGY=0.0 72.9925 570.0 79.0519 120.0 109.0283 580.0 109.0325 140.0 131.193 130.0 134.0368 480.0 135.0434 6000.0 135.0804 170.0 135.1458 190.0 135.3952 130.0 135.8003 110.0 136.0492 660.0 137.0475 320.0 161.0258 120.0 179.0343 450.0 185.0216 930.0 185.0686 120.0 186.0336 100.0 193.0583 140.0 197.0629 120.0 203.0288 140.0 222.0578 130.0 265.0508 1500.0 265.1415 110.0 266.0473 290.0 266.0627 260.0 267.064 9800.0 267.2065 190.0 268.0659 1800.0 268.447 170.0 268.6359 140.0 269.0608 110.0 269.0705 140.0 270.0745 130.0 271.3152 120.0 277.046 140.0 279.0477 100.0 307.0676 160.0 311.0549 12000.0 311.2104 120.0 312.0596 2700.0 312.2158 150.0 313.0609 460.0 329.233 170.0 END IONS BEGIN IONS SCANS=8640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8642 PEPMASS=513.0803 CHARGE=-1 COLLISION_ENERGY=0.0 79.0489 100.0 125.0195 180.0 135.0433 1700.0 136.0469 140.0 173.0196 220.0 177.0512 140.0 219.0303 150.0 248.0506 130.0 265.0419 290.0 266.0547 580.0 267.0608 800.0 267.1154 120.0 287.0339 250.0 289.0471 350.0 311.0549 690.0 312.0621 270.0 329.0506 130.0 333.0336 560.0 334.0285 140.0 387.2012 140.0 605.0632 130.0 END IONS BEGIN IONS SCANS=8643 PEPMASS=551.1196 CHARGE=-1 COLLISION_ENERGY=0.0 72.9942 120.0 91.052 130.0 109.0328 500.0 121.0281 220.0 135.0438 320.0 157.0248 260.0 201.0186 180.0 224.0593 210.0 231.0375 400.0 232.0429 130.0 249.0575 250.0 251.0683 290.0 265.0556 260.0 266.0489 150.0 267.069 170.0 277.0519 330.0 277.0879 130.0 279.0262 200.0 291.0232 160.0 292.0269 150.0 293.0433 660.0 294.0543 180.0 295.0548 300.0 307.0633 150.0 311.0408 110.0 321.043 1400.0 322.0312 200.0 323.0418 130.0 333.024 170.0 336.0677 130.0 339.0541 270.0 351.044 130.0 353.0801 290.0 END IONS BEGIN IONS SCANS=8644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8648 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8649 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8650 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8651 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8652 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8653 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8654 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8669 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8670 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8671 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8672 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8673 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8674 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8675 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8676 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8677 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8678 PEPMASS=549.0655 CHARGE=-1 COLLISION_ENERGY=0.0 72.9934 670.0 91.221 120.0 108.2287 100.0 109.0298 3500.0 109.1267 170.0 109.2804 110.0 123.0467 110.0 124.7258 110.0 135.0434 1500.0 136.5765 120.0 137.0197 220.0 149.0179 100.0 152.0361 120.0 153.0591 130.0 161.0242 170.0 177.0231 380.0 179.0358 340.0 180.0367 130.0 185.0252 620.0 186.0236 260.0 197.0446 3400.0 197.1573 170.0 199.0536 120.0 201.0131 480.0 205.0514 140.0 217.0462 360.0 217.0805 100.0 221.0655 180.0 222.0536 150.0 228.0009 110.0 229.012 1200.0 230.0208 140.0 231.0283 7200.0 231.1685 220.0 231.206 130.0 232.0359 1200.0 232.3026 100.0 240.0362 150.0 242.6297 110.0 242.6718 140.0 243.0273 330.0 244.0375 110.0 249.0522 190.0 251.0346 280.0 266.0499 130.0 277.0492 1700.0 278.0547 500.0 278.2833 100.0 279.0333 350.0 280.0254 240.0 293.0453 2700.0 293.1552 180.0 293.1933 120.0 294.0514 1200.0 294.105 220.0 294.6524 110.0 295.0594 2400.0 295.1452 210.0 295.2014 130.0 295.7092 140.0 296.0626 690.0 298.8438 110.0 303.0277 210.0 309.0731 330.0 311.0584 1500.0 312.0597 150.0 312.1093 100.0 317.0499 100.0 317.4796 100.0 317.6098 110.0 317.893 100.0 318.9217 150.0 320.0297 150.0 321.0397 48000.0 321.8576 180.0 321.9332 160.0 322.0453 7000.0 322.1978 380.0 322.2772 160.0 322.4914 150.0 322.548 110.0 322.6557 150.0 322.7282 150.0 322.8372 120.0 323.0501 230.0 324.0716 110.0 325.0702 200.0 327.0865 1000.0 328.0852 100.0 333.0433 640.0 335.0419 170.0 339.0511 6000.0 339.2176 230.0 339.289 180.0 339.6144 110.0 340.0539 960.0 340.137 130.0 340.2803 120.0 351.0363 140.0 352.957 240.0 353.0654 29000.0 353.958 110.0 354.0677 4100.0 354.153 370.0 354.2275 180.0 354.3179 120.0 354.9159 190.0 355.0624 200.0 355.2327 150.0 355.293 100.0 355.5268 100.0 369.026 330.0 370.0354 110.0 371.074 1500.0 371.1812 110.0 372.0771 620.0 463.1978 140.0 489.1211 130.0 491.0944 560.0 492.1007 200.0 493.2747 160.0 494.104 110.0 502.0262 140.0 513.0755 1700.0 514.0783 550.0 515.084 130.0 515.1713 210.0 517.0879 140.0 519.0953 3700.0 519.2953 260.0 519.3897 110.0 520.0918 1400.0 520.2309 170.0 521.0844 170.0 550.0348 150.0 551.1167 3000.0 551.3316 110.0 552.1227 410.0 553.1303 210.0 598.8833 130.0 END IONS BEGIN IONS SCANS=8679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8683 PEPMASS=667.3871 CHARGE=-1 COLLISION_ENERGY=0.0 71.0152 1300.0 83.0147 120.0 85.0321 150.0 89.0246 820.0 99.0113 130.0 101.0248 580.0 109.0285 250.0 113.0257 810.0 113.0755 120.0 119.0335 400.0 119.062 140.0 151.179 100.0 161.0443 260.0 205.0127 130.0 231.107 130.0 263.1132 100.0 266.0574 200.0 297.2341 100.0 311.0529 230.0 313.8214 100.0 324.0448 270.0 325.1177 140.0 329.2324 100.0 345.2867 130.0 381.962 180.0 400.0551 120.0 422.6751 110.0 429.1076 110.0 433.149 110.0 487.3262 110.0 507.348 360.0 508.365 110.0 550.9402 140.0 669.395 270.0 670.4259 140.0 END IONS BEGIN IONS SCANS=8684 PEPMASS=703.3633 CHARGE=-1 COLLISION_ENERGY=0.0 83.0097 130.0 101.0253 180.0 113.0266 260.0 116.0657 140.0 119.0374 190.0 159.0338 100.0 164.0673 110.0 185.1254 220.0 199.0903 140.0 209.6802 110.0 235.1256 200.0 505.3375 390.0 508.3545 240.0 519.1701 110.0 667.3885 500.0 667.4611 100.0 668.3806 230.0 END IONS BEGIN IONS SCANS=8685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8687 PEPMASS=551.1203 CHARGE=-1 COLLISION_ENERGY=0.0 72.9929 140.0 107.045 170.0 108.8872 100.0 109.0265 470.0 110.0343 140.0 135.0408 340.0 143.0462 110.0 145.0322 110.0 158.0482 280.0 161.0157 200.0 178.7348 190.0 179.024 160.0 185.0259 100.0 186.0311 110.0 200.0092 130.0 219.0202 180.0 233.0498 270.0 249.0589 120.0 249.3693 130.0 251.0789 130.0 267.0645 180.0 277.0473 290.0 279.0408 110.0 281.0572 160.0 292.0331 190.0 293.0412 380.0 294.0453 310.0 295.0666 150.0 303.0184 210.0 311.0556 510.0 321.0364 310.0 322.0318 100.0 340.0526 170.0 478.3666 110.0 END IONS BEGIN IONS SCANS=8688 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8690 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8691 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8692 PEPMASS=513.0796 CHARGE=-1 COLLISION_ENERGY=0.0 78.9587 230.0 95.0461 210.0 119.0501 130.0 135.0435 2700.0 136.0522 540.0 151.0359 250.0 152.0684 150.0 179.0343 190.0 210.0648 100.0 219.0182 260.0 225.1053 140.0 238.0391 110.0 249.0448 160.0 250.0739 270.0 266.055 310.0 266.0677 200.0 267.0693 1500.0 269.0719 130.0 287.0335 120.0 291.0638 110.0 310.5374 210.0 311.0595 1800.0 312.0595 390.0 333.0404 1500.0 436.0631 100.0 731.0982 150.0 END IONS BEGIN IONS SCANS=8693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8694 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8695 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8696 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8698 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8701 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8706 PEPMASS=242.996 CHARGE=-1 COLLISION_ENERGY=0.0 91.0549 390.0 92.0589 140.0 96.9644 130.0 END IONS BEGIN IONS SCANS=8707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8720 PEPMASS=489.0811 CHARGE=-1 COLLISION_ENERGY=0.0 72.9932 390.0 109.0327 220.0 113.0215 160.0 117.0328 120.0 134.0359 220.0 135.0427 5100.0 135.1204 200.0 135.152 210.0 136.0444 290.0 151.0408 180.0 165.0703 170.0 179.0369 710.0 180.0373 170.0 193.0158 120.0 193.0645 100.0 197.0432 220.0 198.0577 160.0 203.0455 170.0 209.0572 120.0 220.0449 260.0 237.0529 380.0 239.0652 180.0 240.0648 160.0 248.0398 130.0 250.0634 110.0 263.0309 160.0 263.3257 110.0 265.0525 720.0 266.048 640.0 267.0634 7700.0 267.209 300.0 268.0707 960.0 268.1312 120.0 268.4648 120.0 279.062 170.0 281.0432 860.0 281.207 130.0 282.0458 370.0 282.3036 110.0 292.8845 280.0 307.0518 180.0 309.0345 230.0 311.0531 9200.0 311.9243 110.0 312.0038 340.0 312.0567 2000.0 312.1406 270.0 313.0483 260.0 328.2082 160.0 END IONS BEGIN IONS SCANS=8721 PEPMASS=491.0964 CHARGE=-1 COLLISION_ENERGY=0.0 72.9938 550.0 106.0372 120.0 109.0252 120.0 135.0436 2400.0 136.0584 110.0 137.0472 130.0 175.0344 220.0 179.035 200.0 212.1363 190.0 223.0646 120.0 238.0545 140.0 250.0595 150.0 265.0488 590.0 266.0496 210.0 267.0619 3700.0 267.1761 110.0 268.0642 530.0 268.0701 380.0 287.0926 230.0 288.6482 100.0 290.8145 130.0 311.0551 3300.0 311.1238 160.0 312.0556 870.0 312.3071 110.0 334.0842 130.0 358.0017 210.0 741.3733 140.0 END IONS BEGIN IONS SCANS=8722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8736 PEPMASS=983.2024 CHARGE=-1 COLLISION_ENERGY=0.0 311.0582 790.0 312.0665 170.0 445.0937 180.0 491.1016 8200.0 492.1003 1900.0 492.2976 210.0 493.111 640.0 493.7206 100.0 839.2534 150.0 929.3617 110.0 983.2162 520.0 985.2914 480.0 END IONS BEGIN IONS SCANS=8737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8740 PEPMASS=487.0654 CHARGE=-1 COLLISION_ENERGY=0.0 71.0126 160.0 72.9932 680.0 73.0185 130.0 79.0553 140.0 89.0242 170.0 95.0109 170.0 105.0332 200.0 105.6059 100.0 107.0208 140.0 119.042 170.0 121.0325 130.0 123.0422 320.0 131.9509 110.0 133.0287 440.0 134.0354 490.0 135.0437 2700.0 135.1515 110.0 149.0227 320.0 150.0301 120.0 151.0386 1300.0 165.0753 130.0 197.0449 300.0 209.0601 290.0 210.056 170.0 216.646 120.0 219.0484 300.0 219.1066 110.0 221.0659 160.0 222.0574 140.0 235.0436 440.0 236.0346 190.0 237.0542 1100.0 247.038 390.0 248.0491 220.0 249.0579 130.0 253.0484 120.0 264.0409 700.0 265.0502 3300.0 265.1987 140.0 266.0558 1200.0 266.122 140.0 267.0657 5100.0 267.1601 280.0 267.2159 170.0 267.255 110.0 267.343 170.0 267.4936 120.0 267.6576 130.0 268.0676 520.0 277.047 110.0 280.0776 260.0 281.044 2200.0 281.133 150.0 281.1869 110.0 281.2486 110.0 281.3703 120.0 281.5446 110.0 282.0461 450.0 282.1265 180.0 283.0528 240.0 288.9953 170.0 291.0523 390.0 291.1882 330.0 308.041 100.0 309.0385 1200.0 309.2094 150.0 310.0494 200.0 311.0539 7500.0 311.2119 510.0 311.2792 140.0 312.0498 260.0 312.3489 120.0 323.0553 380.0 324.0606 100.0 328.2112 110.0 331.1154 150.0 381.0778 160.0 546.29 250.0 END IONS BEGIN IONS SCANS=8741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8766 PEPMASS=549.0801 CHARGE=-1 COLLISION_ENERGY=0.0 67.0166 210.0 72.994 3700.0 73.073 200.0 75.1929 100.0 105.0334 130.0 106.0427 170.0 107.0164 440.0 108.0193 570.0 108.3845 120.0 109.0296 18000.0 109.8184 110.0 109.9804 120.0 110.033 750.0 110.1157 100.0 112.0281 100.0 117.0277 170.0 121.0268 830.0 123.044 2300.0 123.146 180.0 124.0796 120.0 133.0279 730.0 134.0392 300.0 135.0443 6000.0 135.1507 330.0 135.1975 170.0 135.2649 120.0 135.3346 150.0 136.0482 750.0 136.5882 110.0 137.0176 110.0 137.1168 110.0 141.0341 340.0 144.0228 270.0 145.0308 320.0 148.8291 230.0 149.0224 660.0 150.0196 290.0 151.0373 320.0 151.0729 150.0 155.0428 290.0 157.0285 390.0 158.0397 140.0 158.3175 160.0 159.0497 260.0 161.0315 350.0 165.0677 190.0 167.0335 680.0 172.0151 1600.0 172.1025 110.0 173.0201 370.0 179.0339 2800.0 179.1557 150.0 180.053 200.0 184.0173 310.0 185.0234 6100.0 185.1484 290.0 185.2038 100.0 186.0286 1000.0 187.0343 340.0 187.0719 160.0 189.0684 140.0 191.0507 130.0 193.0549 120.0 195.0438 250.0 196.041 150.0 197.043 1700.0 197.1665 100.0 200.0095 1800.0 200.1172 110.0 200.5622 140.0 201.0165 2100.0 201.0886 180.0 201.1396 120.0 201.226 120.0 203.0363 490.0 204.0279 100.0 205.0689 610.0 206.0709 320.0 207.0435 210.0 208.0523 160.0 209.0639 350.0 216.0135 140.0 217.0487 1100.0 217.1164 110.0 219.0423 300.0 221.0592 2500.0 221.194 110.0 222.0595 530.0 223.0333 580.0 224.0523 120.0 225.0472 210.0 229.0131 830.0 231.0288 8500.0 231.1646 150.0 231.3028 170.0 232.0366 960.0 232.1677 110.0 233.0557 590.0 234.0679 220.0 235.0536 140.0 236.0408 140.0 237.0552 310.0 238.0245 210.0 239.0651 180.0 243.0332 300.0 244.0345 180.0 246.06 120.0 247.0376 280.0 248.0467 2800.0 248.1923 140.0 249.0539 9000.0 249.1855 360.0 249.354 140.0 249.4543 140.0 249.5738 110.0 250.0562 1100.0 250.1925 140.0 250.4075 110.0 251.0346 1900.0 251.1785 150.0 251.2051 140.0 252.0426 550.0 253.0449 350.0 254.0576 430.0 259.0384 500.0 260.0534 160.0 263.0288 230.0 264.0335 660.0 265.0481 1900.0 265.1268 130.0 265.1825 130.0 266.0583 800.0 267.0647 1800.0 268.073 200.0 269.6327 120.0 275.0369 840.0 276.0419 2500.0 276.1939 110.0 277.0496 8700.0 277.8842 110.0 278.0461 1100.0 278.668 200.0 279.032 2100.0 279.1833 150.0 279.2581 100.0 279.942 160.0 280.0356 1800.0 280.1399 130.0 280.1883 130.0 281.0732 190.0 282.0668 140.0 287.0316 250.0 290.0518 130.0 290.7041 120.0 291.0231 380.0 292.0354 1100.0 292.1423 130.0 292.6601 110.0 293.0435 17000.0 293.9344 150.0 294.0515 5600.0 294.1841 340.0 294.2421 170.0 294.3605 130.0 294.4607 120.0 295.0574 5300.0 295.2107 190.0 295.2573 100.0 295.547 120.0 295.7874 170.0 295.9132 120.0 296.0658 700.0 297.5154 140.0 298.1452 110.0 303.0299 1500.0 303.1585 110.0 304.0296 380.0 304.2168 130.0 306.0245 140.0 307.0501 190.0 311.0556 2500.0 311.2111 130.0 311.3065 130.0 312.0594 450.0 312.1009 130.0 313.0617 200.0 319.024 530.0 319.1157 110.0 320.0273 290.0 320.9459 150.0 321.0393 31000.0 322.0433 4100.0 322.155 260.0 322.2091 120.0 322.2665 150.0 322.3583 180.0 322.4826 130.0 322.8741 100.0 323.0456 290.0 323.1404 180.0 323.922 130.0 327.0899 160.0 333.0381 430.0 333.132 110.0 334.0367 280.0 335.0501 780.0 335.1173 140.0 337.0676 130.0 339.0494 1500.0 340.0498 570.0 353.0695 1500.0 353.2634 130.0 354.0659 410.0 392.0606 120.0 405.2613 150.0 411.2489 130.0 425.9754 120.0 469.1046 250.0 491.0757 120.0 648.5416 110.0 869.4222 100.0 END IONS BEGIN IONS SCANS=8767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8768 PEPMASS=513.0789 CHARGE=-1 COLLISION_ENERGY=0.0 111.0078 120.0 135.0457 1400.0 136.0539 200.0 137.0514 110.0 173.0216 330.0 181.0486 110.0 219.021 190.0 221.0578 110.0 232.0445 110.0 267.0632 740.0 268.0617 310.0 283.0661 110.0 287.035 290.0 288.0321 140.0 292.0798 190.0 310.0567 120.0 311.0573 1100.0 312.0721 250.0 324.6426 110.0 333.0373 790.0 334.0451 240.0 469.996 110.0 END IONS BEGIN IONS SCANS=8769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8776 PEPMASS=667.3872 CHARGE=-1 COLLISION_ENERGY=0.0 151.0357 270.0 272.6935 210.0 310.1956 140.0 337.033 160.0 346.0275 160.0 373.0716 170.0 477.0163 130.0 505.3356 700.0 507.3547 150.0 510.2727 180.0 552.5478 150.0 558.9449 130.0 599.1352 140.0 621.9495 120.0 667.3887 2000.0 667.5624 170.0 668.3805 1200.0 669.3135 110.0 669.3977 1200.0 670.401 440.0 671.3234 250.0 END IONS BEGIN IONS SCANS=8777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8802 PEPMASS=489.0918 CHARGE=-1 COLLISION_ENERGY=0.0 72.9919 160.0 107.0507 190.0 108.0206 150.0 113.0258 130.0 123.0436 110.0 124.048 200.0 135.0442 6500.0 135.1227 160.0 135.1552 140.0 136.0436 260.0 136.0493 610.0 150.0265 140.0 151.0425 650.0 162.0243 120.0 167.0399 180.0 174.5802 100.0 177.0187 380.0 179.0301 230.0 197.0462 1100.0 198.0454 110.0 201.0112 210.0 214.124 130.0 237.0422 100.0 264.0454 100.0 265.0506 680.0 266.0569 270.0 267.0694 1300.0 267.1273 120.0 269.0337 310.0 269.0438 280.0 281.041 160.0 283.7788 110.0 285.0411 4000.0 285.1434 270.0 286.04 970.0 293.0423 430.0 293.0483 410.0 294.0561 120.0 296.8816 140.0 305.2118 110.0 309.039 1400.0 309.6309 150.0 310.0511 470.0 311.0562 46000.0 311.899 190.0 312.0599 7200.0 312.1735 320.0 312.2155 140.0 312.327 110.0 312.4036 210.0 312.5088 110.0 312.5345 100.0 312.7441 100.0 313.0567 510.0 313.1739 110.0 313.2229 110.0 313.316 190.0 313.5435 130.0 313.6978 120.0 314.0272 220.0 324.0609 190.0 327.211 110.0 329.2304 230.0 363.5954 120.0 385.0865 110.0 391.1599 220.0 430.094 130.0 445.0912 440.0 447.104 160.0 449.0883 320.0 489.0868 210.0 490.0792 120.0 490.0918 130.0 490.2487 110.0 491.0996 18000.0 491.2801 570.0 491.6222 160.0 492.1059 3900.0 492.2662 260.0 492.2829 190.0 492.3359 200.0 492.5821 120.0 493.096 390.0 493.2853 100.0 493.4141 110.0 493.4836 110.0 494.3716 140.0 504.0808 140.0 562.333 160.0 END IONS BEGIN IONS SCANS=8803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8808 PEPMASS=353.0265 CHARGE=-1 COLLISION_ENERGY=0.0 83.0145 170.0 140.0678 170.0 149.0206 130.0 156.8899 130.0 189.1547 140.0 195.0417 170.0 201.1271 180.0 203.2736 200.0 207.0715 110.0 212.1203 100.0 285.039 5700.0 285.1914 220.0 286.0401 1500.0 286.1322 190.0 287.046 160.0 288.0472 170.0 298.0754 150.0 309.0254 190.0 309.1193 100.0 310.0255 180.0 311.0084 170.0 353.0107 230.0 357.2159 170.0 547.4024 100.0 END IONS BEGIN IONS SCANS=8809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8810 PEPMASS=759.2831 CHARGE=-1 COLLISION_ENERGY=0.0 71.0139 800.0 89.0262 580.0 92.9249 230.0 101.0307 160.0 102.0241 220.0 113.0217 150.0 119.034 140.0 128.0443 110.0 137.0941 160.0 150.0319 120.0 180.0421 140.0 190.0529 140.0 217.091 140.0 339.1135 180.0 345.2935 120.0 353.095 130.0 357.1199 130.0 368.1231 170.0 383.1446 140.0 402.1483 110.0 490.1952 140.0 491.1512 190.0 573.5917 160.0 648.2662 110.0 END IONS BEGIN IONS SCANS=8811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8816 PEPMASS=285.0392 CHARGE=-1 COLLISION_ENERGY=0.0 63.0234 1500.0 63.0453 100.0 65.0039 2100.0 67.0062 110.0 70.9913 120.0 77.0421 390.0 79.0162 360.0 81.0347 260.0 83.0133 820.0 84.9576 260.0 89.0213 260.0 89.0427 200.0 92.9317 120.0 93.0319 170.0 94.9249 180.0 104.0263 100.0 105.0319 380.0 105.036 470.0 107.0122 1600.0 108.0183 290.0 110.024 120.0 115.0182 110.0 115.0599 260.0 121.0252 170.0 121.0304 560.0 126.9649 140.0 128.9818 130.0 131.8983 140.0 132.018 670.0 132.0243 520.0 133.0279 17000.0 133.0818 270.0 133.0922 170.0 133.1028 110.0 133.1302 460.0 134.0322 1500.0 135.0342 120.0 141.0272 120.0 145.0331 160.0 148.0406 150.0 149.0225 110.0 149.9027 180.0 151.0023 750.0 151.0085 320.0 154.0407 150.0 154.0474 110.0 172.0105 110.0 174.0261 110.0 174.0396 190.0 175.0372 460.0 175.0494 140.0 183.0381 250.0 183.0427 100.0 192.8685 120.0 195.8723 200.0 197.014 160.0 197.9029 130.0 198.0318 110.0 199.0257 170.0 286.0398 150.0 369.5251 160.0 464.0124 120.0 600.738 250.0 621.4841 180.0 END IONS BEGIN IONS SCANS=8817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8820 PEPMASS=491.0972 CHARGE=-1 COLLISION_ENERGY=0.0 135.042 940.0 179.0249 150.0 197.0458 300.0 265.0429 100.0 267.0662 450.0 268.0666 110.0 269.0501 110.0 270.0411 170.0 277.1824 130.0 295.059 180.0 308.475 120.0 311.0529 4700.0 312.0542 1100.0 312.3077 100.0 313.057 290.0 313.1064 120.0 313.2274 180.0 491.0909 2000.0 491.2836 280.0 492.0938 750.0 493.0898 160.0 494.0407 140.0 END IONS BEGIN IONS SCANS=8821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8824 PEPMASS=507.0923 CHARGE=-1 COLLISION_ENERGY=0.0 76.8074 160.0 90.6515 110.0 97.9942 160.0 109.033 120.0 135.0469 390.0 135.0813 140.0 145.0333 300.0 157.0276 420.0 173.0198 110.0 174.0268 130.0 235.0357 210.0 253.0441 150.0 254.0569 210.0 255.0671 140.0 263.0345 560.0 264.0377 290.0 265.0504 170.0 266.0574 120.0 267.0747 110.0 281.0449 570.0 283.0597 3200.0 283.206 210.0 284.0656 420.0 308.0363 110.0 309.0386 950.0 309.6317 100.0 311.0664 250.0 312.07 260.0 327.0502 930.0 328.0596 140.0 380.0664 140.0 556.7883 110.0 568.0931 230.0 END IONS BEGIN IONS SCANS=8825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8827 PEPMASS=283.0236 CHARGE=-1 COLLISION_ENERGY=0.0 63.0254 390.0 65.0016 590.0 77.0418 260.0 81.032 100.0 83.0141 710.0 84.994 200.0 105.0332 530.0 105.0564 110.0 107.0138 4300.0 107.1094 210.0 108.016 270.0 109.0136 190.0 115.0234 140.0 121.0282 930.0 131.0498 160.0 132.0214 260.0 132.0526 110.0 133.0291 15000.0 134.0341 380.0 134.0686 160.0 134.1193 130.0 135.0399 140.0 143.0537 210.0 147.7905 220.0 148.0152 260.0 149.0227 4500.0 149.1057 220.0 149.194 110.0 150.0245 400.0 150.0508 120.0 150.3153 160.0 151.0023 16000.0 151.1135 700.0 151.3964 160.0 151.8603 130.0 151.9261 200.0 152.0019 1100.0 152.0338 210.0 152.0802 100.0 153.0671 160.0 154.8912 200.0 157.0639 310.0 158.0337 180.0 161.0526 140.0 163.9537 130.0 164.0061 210.0 165.6873 110.0 169.0628 560.0 171.0484 680.0 173.019 280.0 173.0623 620.0 174.0662 370.0 175.0391 7700.0 175.1561 300.0 175.2284 130.0 175.4853 110.0 176.0436 760.0 177.0127 500.0 178.0192 240.0 185.0642 290.0 188.0454 110.0 189.0497 450.0 195.0433 210.0 197.0588 880.0 197.1279 100.0 198.0353 1500.0 199.0378 5200.0 199.1669 260.0 199.3414 110.0 200.0504 600.0 201.019 2000.0 201.1449 160.0 203.6349 140.0 211.0456 360.0 212.0462 120.0 213.0527 2200.0 213.1271 110.0 213.1887 110.0 214.0467 230.0 215.0327 990.0 217.0491 4200.0 217.1308 200.0 217.1871 190.0 218.0514 670.0 223.0358 810.0 224.0437 340.0 226.0231 270.0 227.0315 180.0 229.0494 770.0 230.0452 140.0 239.0355 670.0 240.047 600.0 241.0504 3100.0 241.2043 130.0 242.0134 200.0 242.0549 330.0 243.0299 2200.0 243.1724 150.0 244.0329 250.0 245.0498 110.0 250.0177 140.0 255.027 3500.0 255.1257 130.0 255.1749 150.0 255.2173 140.0 255.2738 110.0 256.0276 880.0 257.0438 1200.0 258.0601 180.0 267.0313 1100.0 270.023 140.0 277.473 150.0 282.0331 220.0 282.1019 120.0 282.1875 120.0 282.2304 130.0 282.3319 110.0 282.4693 130.0 282.5762 130.0 283.0249 240.0 283.0968 150.0 283.2105 130.0 283.2992 120.0 283.4193 190.0 283.8257 230.0 283.8677 110.0 284.0287 410.0 284.3142 110.0 284.3502 140.0 284.4879 120.0 284.6342 120.0 284.7491 110.0 284.8475 180.0 285.0395 160000.0 285.8891 200.0 286.0425 25000.0 286.8909 220.0 287.0454 930.0 287.1821 190.0 287.3023 180.0 287.3866 130.0 287.4391 220.0 287.4866 160.0 287.5776 120.0 287.8833 130.0 288.0989 170.0 288.2197 260.0 288.2776 130.0 288.4294 110.0 288.6057 210.0 288.739 220.0 289.5071 100.0 289.7083 110.0 289.8327 110.0 290.4471 110.0 290.6109 120.0 292.0399 140.0 292.634 110.0 294.2186 120.0 559.6062 110.0 570.6127 120.0 709.4184 100.0 END IONS BEGIN IONS SCANS=8828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8844 PEPMASS=955.2886 CHARGE=-1 COLLISION_ENERGY=0.0 132.0196 170.0 145.0283 530.0 149.0556 240.0 163.0377 590.0 174.9954 110.0 175.0387 1400.0 177.0424 180.0 193.0445 160.0 205.0433 220.0 207.0801 200.0 249.1106 110.0 261.0736 150.0 279.1764 130.0 281.6644 110.0 285.035 160.0 371.1786 140.0 451.1214 150.0 487.1387 240.0 534.0908 130.0 554.2328 140.0 615.1699 200.0 633.1835 1700.0 633.3431 130.0 633.731 110.0 634.1949 410.0 635.1792 180.0 663.1794 360.0 685.567 230.0 764.7445 180.0 765.19 150.0 779.2445 120.0 809.2354 1200.0 809.3388 160.0 810.2338 840.0 811.2237 120.0 955.2721 110.0 END IONS BEGIN IONS SCANS=8845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8851 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8852 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8854 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8856 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8860 PEPMASS=505.1109 CHARGE=-1 COLLISION_ENERGY=0.0 77.0361 120.0 83.0498 140.0 109.0293 390.0 151.0383 490.0 152.9922 160.0 196.05 210.0 201.0176 180.0 231.0184 160.0 237.0536 490.0 238.0404 120.0 247.0382 220.0 248.0349 450.0 249.0548 300.0 251.0365 180.0 265.0509 380.0 265.1453 100.0 267.0634 180.0 276.0464 120.0 277.0457 320.0 278.0516 210.0 279.0275 440.0 281.0437 370.0 293.049 630.0 293.1202 120.0 294.05 160.0 294.8562 140.0 295.0632 180.0 303.0166 240.0 304.1519 120.0 320.0594 290.0 321.0431 190.0 377.1635 110.0 END IONS BEGIN IONS SCANS=8861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8864 PEPMASS=613.2302 CHARGE=-1 COLLISION_ENERGY=0.0 72.9934 100.0 85.0338 130.0 105.0339 110.0 123.5839 140.0 137.0251 120.0 149.0214 350.0 149.0681 160.0 150.0349 210.0 151.037 150.0 152.0465 130.0 164.9173 140.0 165.0543 1100.0 166.0408 210.0 180.0396 200.0 181.049 310.0 190.0525 140.0 197.0478 240.0 200.0498 160.0 205.0444 160.0 207.0704 100.0 212.273 160.0 265.0475 140.0 286.0263 100.0 317.1431 130.0 372.1256 260.0 387.1168 110.0 388.113 160.0 402.1376 110.0 417.2536 110.0 505.1423 150.0 535.172 180.0 END IONS BEGIN IONS SCANS=8865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8874 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8876 PEPMASS=573.1005 CHARGE=-1 COLLISION_ENERGY=0.0 72.9927 120.0 95.0124 150.0 109.0337 350.0 135.0434 220.0 174.0288 140.0 185.0214 360.0 186.0241 190.0 225.0592 180.0 234.4699 110.0 237.0464 200.0 239.0711 210.0 267.0562 270.0 277.0484 430.0 278.0175 140.0 279.0228 110.0 285.0334 140.0 286.0439 200.0 289.0449 200.0 292.0456 100.0 294.0465 200.0 295.0554 240.0 299.2385 240.0 301.0111 320.0 312.058 120.0 317.0382 1500.0 318.1407 130.0 330.8091 150.0 345.9406 120.0 347.1456 130.0 348.9884 130.0 361.0223 180.0 376.073 100.0 414.0315 190.0 436.1053 150.0 575.1867 140.0 END IONS BEGIN IONS SCANS=8877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8888 PEPMASS=609.0759 CHARGE=-1 COLLISION_ENERGY=0.0 100.3307 110.0 123.0388 100.0 173.0265 220.0 177.0785 130.0 247.0274 160.0 295.0631 200.0 317.0397 360.0 321.0392 110.0 337.0246 120.0 353.0554 350.0 361.03 350.0 362.0262 270.0 362.1123 130.0 393.0505 1500.0 394.066 140.0 394.5037 110.0 429.0334 160.0 480.32 100.0 515.2111 110.0 524.1015 120.0 541.0644 230.0 563.0871 140.0 571.9825 150.0 573.0878 1200.0 573.2368 120.0 573.3098 110.0 574.0907 520.0 575.0824 290.0 577.0327 100.0 609.1665 120.0 611.2732 130.0 613.3007 120.0 721.4939 170.0 844.9797 160.0 END IONS BEGIN IONS SCANS=8889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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SCANS=8904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8906 PEPMASS=505.1097 CHARGE=-1 COLLISION_ENERGY=0.0 109.0281 380.0 121.0289 100.0 124.0097 160.0 129.033 110.0 135.0483 180.0 145.0338 110.0 151.0363 290.0 159.0441 120.0 171.0416 120.0 172.0133 300.0 174.0296 330.0 185.0159 180.0 199.0381 140.0 209.151 160.0 214.0292 120.0 219.0458 300.0 231.0333 360.0 249.0542 350.0 263.0405 510.0 264.0373 160.0 265.0454 620.0 265.1151 120.0 268.0343 220.0 269.0427 170.0 275.0529 120.0 279.0291 130.0 281.0469 880.0 282.0606 130.0 283.0589 2400.0 284.0633 110.0 293.0465 200.0 294.0535 200.0 295.0588 140.0 304.0204 140.0 309.0454 450.0 311.0624 160.0 321.032 540.0 321.1297 100.0 322.0534 180.0 325.0429 190.0 327.0465 790.0 335.0547 110.0 345.9377 120.0 END IONS BEGIN IONS SCANS=8907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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END IONS BEGIN IONS SCANS=8916 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8917 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8918 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8919 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8920 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8921 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8922 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8923 PEPMASS=637.377 CHARGE=-1 COLLISION_ENERGY=0.0 71.0158 790.0 73.0297 120.0 85.0325 150.0 87.0126 180.0 89.0242 640.0 94.0378 100.0 101.0243 380.0 111.0091 130.0 113.0236 360.0 115.0404 120.0 119.0307 230.0 124.0127 190.0 149.0367 360.0 159.0282 330.0 160.0408 120.0 161.0478 180.0 231.031 210.0 240.9342 260.0 281.0346 270.0 301.0124 150.0 317.0341 150.0 361.0396 110.0 409.1062 130.0 469.0796 140.0 501.1451 180.0 505.3362 130.0 506.3312 210.0 507.3459 380.0 508.3468 130.0 END IONS BEGIN IONS SCANS=8924 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8925 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8926 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8927 PEPMASS=850.1667 CHARGE=-1 COLLISION_ENERGY=0.0 109.0288 210.0 150.0241 180.0 163.0361 110.0 173.0437 110.0 247.0134 130.0 248.0156 350.0 283.0576 130.0 283.9178 110.0 295.0599 910.0 295.4717 120.0 296.0595 710.0 296.148 120.0 296.8143 100.0 297.0706 280.0 311.0591 150.0 326.0794 120.0 335.121 120.0 339.0493 530.0 339.1002 140.0 340.0445 380.0 340.1029 110.0 357.0584 1300.0 358.0625 840.0 359.06 320.0 360.0583 110.0 375.0609 110.0 626.1225 270.0 652.1076 310.0 653.1115 170.0 END IONS BEGIN IONS SCANS=8928 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8929 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8930 PEPMASS=257.1376 CHARGE=-1 COLLISION_ENERGY=0.0 125.0912 170.0 126.0992 470.0 149.9066 160.0 151.9181 130.0 153.091 120.0 163.1106 130.0 181.1272 530.0 207.0942 100.0 END IONS BEGIN IONS SCANS=8931 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8932 PEPMASS=213.1115 CHARGE=-1 COLLISION_ENERGY=0.0 151.1074 170.0 169.1184 150.0 176.9773 150.0 213.3528 120.0 215.0053 140.0 END IONS BEGIN IONS SCANS=8933 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8934 PEPMASS=675.3625 CHARGE=-1 COLLISION_ENERGY=0.0 113.0229 150.0 200.1128 130.0 229.0063 120.0 373.0857 150.0 382.9447 130.0 400.9729 120.0 455.02 230.0 477.5784 100.0 497.2471 190.0 567.044 200.0 637.3873 190.0 640.3819 160.0 675.3685 1100.0 675.52 100.0 676.3726 750.0 676.5349 110.0 676.7652 110.0 677.38 470.0 678.1955 210.0 678.3865 220.0 803.2844 100.0 END IONS BEGIN IONS SCANS=8935 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8936 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8937 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8938 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8942 PEPMASS=543.3264 CHARGE=-1 COLLISION_ENERGY=0.0 89.0223 180.0 114.9399 140.0 152.0116 140.0 255.048 270.0 339.1338 160.0 466.216 110.0 END IONS BEGIN IONS SCANS=8943 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8945 PEPMASS=849.1638 CHARGE=-1 COLLISION_ENERGY=0.0 72.9886 230.0 137.023 140.0 145.026 100.0 161.0238 120.0 186.0481 100.0 190.0168 150.0 203.028 100.0 237.0517 110.0 265.0511 300.0 267.0644 250.0 283.0545 520.0 284.0547 150.0 295.0576 1600.0 296.0599 540.0 311.0517 760.0 311.1027 130.0 312.0526 200.0 313.0586 180.0 315.0785 110.0 327.2162 170.0 339.0498 500.0 357.0561 1300.0 358.0654 200.0 469.9958 210.0 508.0879 130.0 534.093 100.0 651.1081 580.0 652.1105 510.0 652.2098 110.0 653.8974 130.0 791.0456 110.0 981.1438 130.0 END IONS BEGIN IONS SCANS=8946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8953 PEPMASS=871.1461 CHARGE=-1 COLLISION_ENERGY=0.0 97.3836 100.0 143.0334 150.0 295.0632 200.0 333.0376 140.0 336.0283 180.0 337.0437 160.0 339.0452 190.0 357.0566 140.0 361.0336 160.0 362.0352 130.0 369.14 140.0 379.045 270.0 383.9477 110.0 541.0575 160.0 543.1716 100.0 559.0622 110.0 647.1266 130.0 648.1175 180.0 668.3835 160.0 673.0877 490.0 674.0961 270.0 675.2087 110.0 690.1559 110.0 691.1176 160.0 693.125 110.0 772.2639 110.0 837.0757 110.0 871.1558 980.0 871.3253 170.0 871.4058 110.0 871.5059 120.0 871.5865 100.0 872.1458 660.0 872.7661 120.0 873.1058 140.0 873.2722 120.0 874.1748 170.0 875.1911 130.0 END IONS BEGIN IONS SCANS=8954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8955 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8956 PEPMASS=473.1077 CHARGE=-1 COLLISION_ENERGY=0.0 83.0094 150.0 96.9553 110.0 117.0318 260.0 135.0478 130.0 136.0154 110.0 167.14 120.0 173.1317 100.0 239.0465 130.0 268.0364 2700.0 268.1635 150.0 268.2367 120.0 268.7112 140.0 269.0446 1800.0 269.1551 100.0 270.0574 320.0 276.0381 110.0 295.0664 170.0 313.0271 200.0 441.0303 150.0 END IONS BEGIN IONS SCANS=8957 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8958 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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IONS SCANS=8969 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8970 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8971 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8972 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8973 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8974 PEPMASS=850.1675 CHARGE=-1 COLLISION_ENERGY=0.0 73.9953 130.0 109.0309 210.0 121.0283 150.0 149.0224 110.0 176.0455 100.0 185.0268 150.0 209.061 210.0 210.0714 100.0 227.0603 120.0 255.0659 160.0 267.061 230.0 268.0683 120.0 270.0937 220.0 277.0497 130.0 295.058 1700.0 296.062 1100.0 296.1502 110.0 311.0515 910.0 312.0605 330.0 332.0686 130.0 339.0507 450.0 340.0519 510.0 357.0559 1400.0 357.2332 120.0 358.0649 920.0 359.0609 460.0 594.6243 250.0 651.1109 220.0 652.1063 290.0 653.0922 120.0 804.0942 100.0 END IONS BEGIN IONS SCANS=8975 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8976 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8977 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8978 PEPMASS=639.2992 CHARGE=-1 COLLISION_ENERGY=0.0 73.028 150.0 89.0243 210.0 94.9238 240.0 113.0228 250.0 114.0277 170.0 159.0335 160.0 161.0398 130.0 303.1224 260.0 345.153 170.0 412.1941 160.0 415.045 120.0 477.2319 350.0 478.241 320.0 555.6132 120.0 566.2873 130.0 593.3272 110.0 606.2596 150.0 639.3006 780.0 639.4227 110.0 640.3104 640.0 641.2254 110.0 641.3095 130.0 642.2896 180.0 END IONS BEGIN IONS SCANS=8979 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=8985 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60.5057 110.0 96.956 140.0 97.0073 230.0 113.0231 180.0 221.0579 140.0 334.0133 110.0 339.0479 260.0 353.0543 150.0 385.2259 110.0 421.9006 200.0 423.2483 130.0 505.1289 190.0 505.3293 170.0 506.0732 120.0 507.3494 130.0 561.2506 120.0 564.2621 120.0 631.2517 130.0 667.3802 1800.0 667.5438 160.0 668.3818 790.0 669.3193 110.0 669.397 380.0 669.6951 110.0 670.1908 170.0 670.2693 180.0 670.4144 110.0 670.908 300.0 END IONS BEGIN IONS SCANS=9107 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9108 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9109 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9110 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9111 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9112 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9113 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9114 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9115 PEPMASS=665.1696 CHARGE=-1 COLLISION_ENERGY=0.0 71.0153 100.0 73.0291 280.0 83.0124 360.0 87.0125 120.0 87.0171 150.0 89.0205 310.0 89.0284 170.0 99.005 190.0 101.0251 1200.0 111.0817 160.0 119.0306 190.0 133.0594 140.0 136.9886 390.0 155.0339 180.0 163.0062 290.0 183.0427 210.0 212.0773 200.0 256.0352 180.0 265.3085 110.0 283.0163 150.0 283.0244 200.0 284.0299 3600.0 285.046 240.0 293.0405 140.0 298.0482 1400.0 299.0547 21000.0 299.2076 150.0 300.0577 5200.0 300.1488 220.0 300.2584 260.0 300.9029 120.0 301.0591 530.0 301.1072 100.0 313.0647 170.0 336.9812 200.0 337.024 110.0 338.0748 130.0 339.0964 180.0 402.0825 110.0 425.0901 130.0 429.0521 140.0 443.0917 390.0 461.1023 240.0 463.1139 170.0 471.0374 100.0 487.3431 110.0 488.1627 210.0 505.3318 130.0 506.3326 110.0 549.0954 110.0 591.8207 110.0 605.162 140.0 607.1689 130.0 623.9912 110.0 665.168 4500.0 665.3684 590.0 665.4493 250.0 665.5521 130.0 666.169 1700.0 666.3905 110.0 666.6036 180.0 666.6742 110.0 667.1778 810.0 667.3839 840.0 667.5587 120.0 668.1702 240.0 668.3868 150.0 669.2699 100.0 776.0579 120.0 END IONS BEGIN IONS SCANS=9116 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9117 PEPMASS=733.1596 CHARGE=-1 COLLISION_ENERGY=0.0 72.9878 160.0 73.0292 180.0 101.0546 120.0 135.0441 160.0 138.102 120.0 139.0369 110.0 149.0302 120.0 159.0578 120.0 162.0296 280.0 197.0367 100.0 200.367 210.0 265.0919 220.0 283.6542 120.0 284.0364 230.0 299.0498 3000.0 299.2056 130.0 300.0578 360.0 304.9069 260.0 312.0338 160.0 319.0052 110.0 321.029 230.0 329.1367 150.0 350.0554 270.0 381.0495 150.0 435.0797 330.0 465.1029 140.0 480.2241 170.0 483.0742 190.0 484.0863 250.0 493.0958 180.0 497.096 150.0 516.0979 250.0 557.1542 230.0 623.1397 130.0 645.159 120.0 646.1346 110.0 647.1455 140.0 648.1318 240.0 665.1514 260.0 735.4274 250.0 761.9132 190.0 END IONS BEGIN IONS SCANS=9118 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9119 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9120 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9121 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9122 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9123 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9124 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9125 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9126 PEPMASS=703.3619 CHARGE=-1 COLLISION_ENERGY=0.0 82.5843 110.0 135.0463 120.0 185.1487 210.0 201.0179 140.0 307.1841 160.0 308.1867 120.0 317.0292 110.0 327.0447 140.0 371.0997 220.0 397.0371 110.0 397.1202 140.0 477.241 120.0 495.0106 260.0 505.3112 230.0 510.2356 220.0 536.1858 130.0 545.0925 100.0 573.3061 160.0 629.2222 120.0 637.3275 170.0 639.2969 270.0 659.3193 110.0 667.3848 4800.0 667.6019 130.0 668.2222 190.0 668.3953 1700.0 669.3851 120.0 669.4042 300.0 703.1357 150.0 703.349 940.0 703.3663 1100.0 704.3569 850.0 704.5353 100.0 705.3609 1200.0 705.5031 150.0 705.936 160.0 706.1389 130.0 706.2005 110.0 706.3438 120.0 706.3635 260.0 707.2598 180.0 707.3599 220.0 END IONS BEGIN IONS SCANS=9127 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9128 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9129 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9130 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9131 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9132 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9133 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9134 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9135 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9136 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9137 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9138 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9139 PEPMASS=639.2989 CHARGE=-1 COLLISION_ENERGY=0.0 71.0148 840.0 73.0319 200.0 83.0134 180.0 85.0354 170.0 89.0217 430.0 95.0088 110.0 99.0112 120.0 101.0246 480.0 113.0234 410.0 159.0261 190.0 161.0374 310.0 170.0838 180.0 293.0822 100.0 304.9213 110.0 315.1925 620.0 316.1986 110.0 327.1553 130.0 361.262 110.0 477.2513 290.0 479.2609 200.0 489.2493 130.0 END IONS BEGIN IONS SCANS=9140 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9141 PEPMASS=675.2751 CHARGE=-1 COLLISION_ENERGY=0.0 71.0154 300.0 73.0292 130.0 89.027 210.0 101.0232 180.0 113.0249 490.0 125.0196 180.0 161.0434 450.0 190.0852 110.0 315.1926 190.0 316.1877 150.0 317.2073 190.0 321.0218 110.0 461.1912 130.0 477.2457 330.0 554.104 170.0 640.3182 110.0 END IONS BEGIN IONS SCANS=9142 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9143 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9144 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9145 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9146 PEPMASS=205.0494 CHARGE=-1 COLLISION_ENERGY=0.0 105.0346 110.0 115.0082 120.0 132.019 360.0 133.0287 640.0 161.0246 270.0 END IONS BEGIN IONS SCANS=9147 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9148 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9149 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9150 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9151 PEPMASS=517.0786 CHARGE=-1 COLLISION_ENERGY=0.0 141.1069 110.0 197.0373 160.0 221.0361 150.0 260.9843 100.0 291.0308 230.0 293.0444 390.0 319.0291 460.0 325.0691 100.0 337.0294 2100.0 337.1498 110.0 337.1999 120.0 338.0359 410.0 339.05 220.0 340.0494 120.0 353.0517 190.0 428.1692 180.0 430.5539 130.0 472.9992 180.0 499.3279 120.0 517.0664 570.0 517.1389 300.0 518.0789 180.0 518.2216 150.0 518.3058 110.0 519.133 190.0 519.3154 130.0 520.0832 170.0 678.2076 110.0 END IONS BEGIN IONS SCANS=9152 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9153 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9154 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9155 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9156 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9157 PEPMASS=761.1725 CHARGE=-1 COLLISION_ENERGY=0.0 123.0499 150.0 185.0185 110.0 203.1361 120.0 244.0389 120.0 325.0678 190.0 327.1156 120.0 338.1838 120.0 349.1926 140.0 357.0842 140.0 365.0611 840.0 366.0695 210.0 370.061 110.0 383.0701 490.0 384.0737 180.0 437.2381 130.0 499.4071 270.0 538.126 120.0 548.1866 130.0 557.1794 240.0 557.3101 120.0 563.1148 1900.0 563.3192 110.0 563.6883 110.0 564.1154 1100.0 565.124 500.0 565.2072 100.0 581.0468 150.0 582.1279 220.0 610.6557 120.0 677.261 110.0 693.1938 100.0 719.1421 140.0 725.1045 210.0 761.0215 140.0 762.1332 120.0 763.1046 130.0 763.3959 100.0 764.2418 110.0 765.3052 200.0 765.3954 100.0 841.1229 110.0 END IONS BEGIN IONS SCANS=9158 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9159 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9160 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9161 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9162 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9163 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9164 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9165 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9166 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9167 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9168 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9169 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9170 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9171 PEPMASS=213.1116 CHARGE=-1 COLLISION_ENERGY=0.0 169.1222 390.0 215.0163 110.0 317.4862 110.0 END IONS BEGIN IONS SCANS=9172 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9173 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9174 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9175 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9176 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9177 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9178 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9179 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9180 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9181 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9182 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9183 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9184 PEPMASS=651.153 CHARGE=-1 COLLISION_ENERGY=0.0 61.9902 160.0 68.5041 240.0 71.0158 270.0 76.0117 150.0 99.0467 130.0 101.0217 160.0 101.0285 210.0 107.2311 140.0 131.0308 180.0 135.0434 380.0 135.049 140.0 137.0251 120.0 144.0649 150.0 145.0257 160.0 171.0971 150.0 175.0281 160.0 183.085 130.0 186.0329 160.0 199.0922 200.0 199.1272 280.0 203.0545 130.0 233.1126 180.0 243.8747 110.0 249.0542 110.0 266.0543 480.0 266.2512 120.0 267.0954 100.0 269.0433 280.0 273.1512 140.0 282.0135 110.0 284.0313 160.0 295.055 170.0 295.0615 160.0 299.0194 210.0 321.034 120.0 323.0576 100.0 324.0073 170.0 325.0708 16000.0 325.1589 250.0 325.1807 140.0 325.2033 500.0 325.2306 360.0 325.2401 250.0 325.2852 110.0 325.2924 220.0 325.4657 110.0 326.0668 600.0 326.0736 2500.0 326.1881 120.0 327.0771 530.0 328.0688 120.0 328.0795 140.0 329.2214 190.0 330.4777 110.0 337.0264 120.0 339.0384 110.0 353.0266 170.0 366.0324 150.0 372.0438 120.0 377.0515 160.0 381.0127 150.0 392.8457 150.0 414.2212 230.0 431.1352 150.0 433.1728 110.0 456.1086 170.0 473.0788 300.0 474.0952 100.0 517.0786 110.0 544.5774 140.0 560.9593 120.0 565.0328 220.0 579.0891 130.0 590.4067 290.0 606.2224 130.0 617.6941 120.0 635.1995 110.0 650.4244 120.0 651.3291 150.0 652.1023 140.0 652.1794 200.0 652.2875 150.0 652.3285 140.0 653.1445 170.0 653.1601 110.0 653.3295 190.0 654.3456 340.0 655.094 150.0 655.3851 120.0 752.0135 110.0 872.3942 110.0 END IONS BEGIN IONS SCANS=9185 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9186 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9187 PEPMASS=361.0477 CHARGE=-1 COLLISION_ENERGY=0.0 79.0147 200.0 106.0654 180.0 120.9356 110.0 122.832 120.0 127.11 160.0 132.8779 120.0 145.0204 180.0 149.0196 120.0 184.1305 100.0 219.0352 110.0 219.0438 220.0 220.051 150.0 220.0578 110.0 226.0495 120.0 235.0479 120.0 237.0455 160.0 237.0524 230.0 237.0627 160.0 247.0389 260.0 248.0378 120.0 248.0591 120.0 249.0441 170.0 249.0534 280.0 255.0695 210.0 265.0459 1800.0 265.0506 750.0 266.057 31000.0 266.1841 290.0 266.2053 430.0 266.7135 110.0 266.848 170.0 266.939 120.0 267.0598 5300.0 267.1275 150.0 267.2098 130.0 267.3146 120.0 267.4364 100.0 267.4913 130.0 268.0594 380.0 269.0702 120.0 325.0714 6000.0 326.0724 1500.0 326.0818 190.0 326.1294 130.0 326.2444 120.0 327.0615 160.0 439.0387 200.0 446.6697 110.0 858.9467 100.0 END IONS BEGIN IONS SCANS=9188 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9189 PEPMASS=325.0709 CHARGE=-1 COLLISION_ENERGY=0.0 69.04 100.0 72.9886 120.0 84.0154 220.0 89.4283 190.0 96.9588 160.0 119.0815 170.0 135.0457 120.0 150.914 160.0 155.0993 130.0 209.0545 380.0 209.0592 170.0 219.0356 250.0 219.0464 110.0 221.053 370.0 223.1508 140.0 224.04 110.0 235.0396 150.0 236.0473 260.0 237.0432 430.0 237.0534 340.0 237.0935 100.0 238.0592 300.0 247.0381 250.0 248.0372 230.0 248.0438 920.0 249.0508 460.0 250.0506 280.0 251.0593 110.0 252.0613 240.0 264.0354 560.0 264.0424 250.0 265.0447 2300.0 265.0507 1400.0 265.1122 130.0 265.1231 120.0 266.0562 14000.0 266.1689 250.0 266.2047 280.0 266.2412 120.0 267.0576 2400.0 267.1784 120.0 268.0632 380.0 325.0717 5400.0 326.0714 970.0 326.1995 120.0 327.2128 120.0 345.4833 160.0 564.1485 120.0 952.514 120.0 988.6097 100.0 END IONS BEGIN IONS SCANS=9190 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9191 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9192 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9193 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9194 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9195 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9196 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9197 PEPMASS=323.0553 CHARGE=-1 COLLISION_ENERGY=0.0 83.0493 120.0 95.0484 120.0 96.0186 170.0 111.0803 150.0 118.0445 160.0 119.913 100.0 133.0264 200.0 135.0842 160.0 147.033 110.0 149.09 100.0 154.1299 130.0 157.0332 130.0 158.0295 120.0 159.0443 120.0 164.0619 260.0 165.0654 260.0 166.0485 140.0 167.0468 230.0 170.8753 110.0 176.11 120.0 178.0352 160.0 179.05 560.0 180.0529 280.0 180.058 830.0 181.0704 120.0 189.0607 140.0 191.0502 620.0 192.0462 100.0 192.0532 190.0 193.0573 190.0 193.0618 200.0 194.0345 160.0 195.0447 240.0 195.0489 370.0 196.0488 530.0 196.0522 130.0 200.9814 140.0 206.9247 110.0 207.039 510.0 207.0422 1900.0 208.05 2800.0 208.0872 140.0 208.0973 150.0 209.0518 640.0 209.0602 1300.0 210.0628 190.0 212.9388 140.0 218.033 360.0 219.0441 1600.0 219.0849 110.0 219.0928 110.0 220.0383 200.0 220.0478 1600.0 220.0905 120.0 220.095 110.0 221.0501 270.0 221.058 390.0 221.146 250.0 223.0394 180.0 223.0491 100.0 224.0468 180.0 224.0534 130.0 225.051 180.0 225.1134 110.0 225.2565 100.0 226.9602 100.0 228.9647 110.0 234.0336 150.0 235.0313 110.0 235.0398 1700.0 235.0493 460.0 236.0465 7400.0 236.1202 300.0 236.1847 280.0 237.0538 3800.0 238.0558 120.0 238.0658 110.0 239.0607 290.0 239.0767 160.0 240.0432 120.0 245.739 120.0 246.4252 110.0 247.0365 270.0 247.0457 720.0 247.0903 110.0 248.0467 1200.0 248.0523 260.0 249.0522 1600.0 249.0567 570.0 251.06 330.0 251.0878 150.0 251.8525 110.0 253.0253 250.0 253.0449 110.0 256.0685 110.0 261.0531 140.0 263.0296 570.0 263.0382 100.0 264.0418 4400.0 264.0996 380.0 264.1889 120.0 264.3092 100.0 265.0502 11000.0 265.0524 210.0 265.0795 150.0 265.106 530.0 265.1317 210.0 265.151 170.0 265.194 260.0 265.2007 120.0 265.3877 110.0 265.4888 110.0 265.5889 120.0 265.6648 110.0 265.7682 110.0 265.8881 140.0 265.8955 160.0 266.057 49000.0 266.1331 330.0 266.199 200.0 266.2075 120.0 266.2829 110.0 266.5156 130.0 266.6698 230.0 266.6801 120.0 266.7392 110.0 266.8414 150.0 266.988 120.0 267.0621 7600.0 267.1562 140.0 267.2595 210.0 268.0602 260.0 268.0668 280.0 278.0444 270.0 279.0618 300.0 291.0179 160.0 291.024 190.0 292.2363 110.0 293.0464 100.0 293.0995 130.0 295.0607 7300.0 295.2106 100.0 296.0623 2600.0 304.0413 150.0 306.0436 180.0 322.0429 140.0 323.0543 3100.0 323.1556 130.0 323.1731 120.0 323.2222 130.0 324.0612 1600.0 324.1591 120.0 325.0498 160.0 325.0625 330.0 325.0708 37000.0 325.0879 240.0 325.8958 160.0 326.0731 5700.0 326.1818 270.0 326.2017 130.0 326.2385 150.0 326.249 130.0 326.3538 130.0 326.4493 170.0 326.501 180.0 326.7057 100.0 326.916 140.0 327.0715 570.0 327.1668 120.0 327.1877 130.0 896.7207 110.0 END IONS BEGIN IONS SCANS=9198 PEPMASS=491.2838 CHARGE=-1 COLLISION_ENERGY=0.0 85.0314 110.0 89.0193 140.0 101.0268 230.0 112.9041 150.0 117.518 120.0 127.1136 230.0 139.1106 180.0 140.1187 150.0 161.0203 110.0 167.1024 110.0 167.141 150.0 171.1025 220.0 181.1241 110.0 183.1357 210.0 211.1352 770.0 211.1897 120.0 229.1478 720.0 230.1446 240.0 250.1045 100.0 285.1836 110.0 311.0532 170.0 311.2025 120.0 313.229 170.0 329.2357 130.0 330.2286 110.0 331.2532 200.0 492.2764 170.0 END IONS BEGIN IONS SCANS=9199 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9200 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9201 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9202 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9203 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9204 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9205 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9206 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9207 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9208 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9209 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9210 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9211 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9212 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9213 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9214 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9215 PEPMASS=291.1227 CHARGE=-1 COLLISION_ENERGY=0.0 72.995 200.0 84.0432 240.0 89.0263 180.0 120.933 110.0 129.0306 140.0 146.0359 390.0 148.055 120.0 164.9171 170.0 169.0897 190.0 202.1275 130.0 206.0796 120.0 214.978 110.0 245.1223 130.0 273.1095 1100.0 291.1234 450.0 292.1291 350.0 528.9462 100.0 END IONS BEGIN IONS SCANS=9216 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9217 PEPMASS=935.2039 CHARGE=-1 COLLISION_ENERGY=0.0 135.0467 150.0 233.0896 150.0 279.0653 110.0 311.0588 230.0 323.0503 750.0 458.1703 100.0 491.098 1600.0 491.231 100.0 492.032 160.0 492.0938 350.0 503.0887 2000.0 504.1097 490.0 514.059 150.0 551.3718 100.0 623.5313 110.0 755.2424 180.0 757.243 140.0 760.2251 130.0 858.0048 130.0 866.641 110.0 876.9593 110.0 898.4903 100.0 899.1605 170.0 899.3013 190.0 902.3808 170.0 935.1948 1400.0 935.3449 330.0 935.4447 190.0 935.5274 130.0 936.2024 1100.0 936.39 150.0 936.8489 140.0 937.1929 450.0 937.4568 260.0 937.6906 140.0 937.8838 130.0 938.1926 200.0 END IONS BEGIN IONS SCANS=9218 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9219 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9220 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9221 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9222 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9227 PEPMASS=541.3115 CHARGE=-1 COLLISION_ENERGY=0.0 64.82 150.0 294.1029 110.0 297.14 120.0 389.1533 120.0 437.1606 110.0 END IONS BEGIN IONS SCANS=9228 PEPMASS=437.2285 CHARGE=-1 COLLISION_ENERGY=0.0 85.0691 110.0 97.0678 130.0 127.0409 110.0 166.5183 130.0 202.1023 180.0 243.1188 150.0 247.0145 110.0 247.1351 170.0 275.0616 190.0 289.068 140.0 289.1707 140.0 292.9856 110.0 301.553 100.0 316.0846 110.0 327.2075 190.0 380.119 130.0 437.2194 160.0 441.1088 230.0 END IONS BEGIN IONS SCANS=9229 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9230 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9233 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9235 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9236 PEPMASS=325.2005 CHARGE=-1 COLLISION_ENERGY=0.0 85.0332 310.0 86.0366 210.0 87.0517 230.0 95.0439 110.0 97.0675 190.0 117.033 340.0 121.1037 240.0 129.0862 140.0 135.037 290.0 136.0481 120.0 145.0235 320.0 146.0326 100.0 149.1277 150.0 163.0349 170.0 171.0987 380.0 183.0965 110.0 221.1526 310.0 266.0559 180.0 267.0584 320.0 END IONS BEGIN IONS SCANS=9237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9239 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9242 PEPMASS=287.1484 CHARGE=-1 COLLISION_ENERGY=0.0 70.9979 160.0 83.052 180.0 113.3354 130.0 127.0727 130.0 186.0284 160.0 212.0896 150.0 677.4967 100.0 991.6346 140.0 END IONS BEGIN IONS SCANS=9243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9246 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9247 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9248 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9249 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9250 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9251 PEPMASS=489.268 CHARGE=-1 COLLISION_ENERGY=0.0 71.015 140.0 73.0313 140.0 87.0451 190.0 95.0586 130.0 99.043 110.0 113.0271 300.0 119.0375 150.0 124.0197 170.0 135.0422 110.0 139.1082 120.0 157.1048 160.0 162.0366 130.0 171.1008 370.0 195.1366 230.0 195.1826 110.0 203.1059 110.0 209.1386 200.0 211.1319 240.0 223.1594 240.0 229.1425 380.0 239.1581 180.0 240.1731 110.0 293.1989 150.0 307.09 130.0 309.2034 230.0 311.0493 130.0 327.0884 140.0 327.2051 170.0 328.2208 160.0 330.2334 280.0 387.105 130.0 491.29 120.0 END IONS BEGIN IONS SCANS=9252 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9253 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9254 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9256 PEPMASS=385.092 CHARGE=-1 COLLISION_ENERGY=0.0 61.9856 190.0 74.0284 260.0 101.0698 130.0 109.0263 500.0 119.0488 150.0 157.0277 110.0 161.0294 110.0 165.9112 120.0 171.0339 110.0 173.0184 280.0 193.0423 130.0 197.051 200.0 204.152 100.0 213.0526 150.0 225.0993 100.0 234.0486 120.0 237.058 290.0 238.058 120.0 249.0488 180.0 251.0607 220.0 252.0428 260.0 253.0406 150.0 266.0644 220.0 267.0621 370.0 276.0597 180.0 279.0265 250.0 291.9099 110.0 293.0431 800.0 293.1165 110.0 294.0547 260.0 END IONS BEGIN IONS SCANS=9257 PEPMASS=421.0687 CHARGE=-1 COLLISION_ENERGY=0.0 112.0023 120.0 128.8701 160.0 137.0264 150.0 145.6558 150.0 157.0209 120.0 161.0065 140.0 168.0854 210.0 177.0463 210.0 183.001 200.0 185.0218 220.0 190.1207 150.0 199.0563 120.0 202.0243 100.0 207.035 120.0 221.0537 220.0 228.0363 190.0 231.0501 130.0 235.0713 160.0 238.0548 120.0 249.0511 410.0 250.0638 200.0 251.0298 180.0 260.0392 150.0 263.0318 150.0 265.046 270.0 265.9671 120.0 266.0519 250.0 276.042 360.0 277.0476 490.0 292.0321 130.0 293.0418 1900.0 293.1405 170.0 294.045 360.0 295.0476 110.0 308.0607 140.0 310.0635 120.0 353.0656 290.0 423.2958 100.0 426.0656 130.0 END IONS BEGIN IONS SCANS=9258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9259 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9262 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9266 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9268 PEPMASS=695.2165 CHARGE=-1 COLLISION_ENERGY=0.0 121.0594 160.0 135.0464 110.0 149.0124 110.0 263.0722 100.0 293.048 100.0 354.0672 180.0 355.0801 290.0 359.1818 100.0 369.1091 190.0 387.0959 120.0 445.0753 110.0 487.3107 140.0 515.0587 120.0 517.0747 110.0 529.249 140.0 535.1203 110.0 663.1854 2100.0 663.4081 120.0 664.1934 960.0 664.3881 110.0 665.1927 110.0 673.2803 250.0 677.2089 170.0 678.2078 100.0 695.217 2000.0 695.4379 110.0 696.2226 650.0 696.9604 110.0 697.2202 200.0 699.21 150.0 END IONS BEGIN IONS SCANS=9269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9270 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9271 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9272 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9273 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9274 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9275 PEPMASS=543.3255 CHARGE=-1 COLLISION_ENERGY=0.0 65.7734 120.0 116.6108 130.0 125.0567 120.0 150.0514 100.0 159.0559 190.0 201.0629 120.0 231.104 130.0 237.1535 120.0 271.071 110.0 294.0545 110.0 367.2416 120.0 961.0785 120.0 END IONS BEGIN IONS SCANS=9276 PEPMASS=701.1493 CHARGE=-1 COLLISION_ENERGY=0.0 109.027 250.0 123.0797 150.0 135.0417 550.0 145.0279 430.0 147.0141 120.0 185.0204 330.0 186.0314 110.0 194.054 110.0 197.0295 100.0 198.2556 150.0 210.1152 120.0 243.028 210.0 251.0301 180.0 277.0442 470.0 279.0333 100.0 291.1184 120.0 294.0545 110.0 295.0557 290.0 296.0767 180.0 305.0595 230.0 307.0764 110.0 309.0623 120.0 321.0449 1500.0 321.1087 200.0 322.0409 460.0 322.1069 120.0 323.0429 290.0 328.0963 120.0 338.2365 110.0 339.0437 1200.0 340.0433 430.0 401.0635 140.0 425.112 240.0 521.0362 110.0 547.0748 140.0 END IONS BEGIN IONS SCANS=9277 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9278 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9279 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9280 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9281 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9282 PEPMASS=673.3516 CHARGE=-1 COLLISION_ENERGY=0.0 71.0122 190.0 160.8455 220.0 193.0466 220.0 356.1709 130.0 374.0614 120.0 419.4839 120.0 451.198 100.0 454.975 100.0 480.2731 100.0 489.1752 110.0 494.2232 170.0 505.329 340.0 515.1106 130.0 519.5964 140.0 561.0622 110.0 566.2517 190.0 588.3332 160.0 605.2712 120.0 637.385 180.0 639.3834 110.0 641.3873 120.0 672.9818 110.0 673.3544 1500.0 673.5082 120.0 673.5554 110.0 674.3575 480.0 675.2445 170.0 675.3616 1200.0 676.2062 130.0 676.3518 640.0 676.4185 290.0 676.5468 140.0 677.1777 270.0 677.4247 120.0 753.5794 140.0 786.9179 100.0 908.218 160.0 END IONS BEGIN IONS SCANS=9283 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9287 PEPMASS=577.2202 CHARGE=-1 COLLISION_ENERGY=0.0 96.9558 150.0 107.0529 110.0 133.0239 590.0 134.0292 100.0 209.0873 130.0 233.0937 200.0 248.0976 120.0 249.1109 160.0 274.005 120.0 309.027 230.0 347.0075 160.0 355.0405 110.0 367.1268 2000.0 367.3786 110.0 368.1297 850.0 369.1415 480.0 369.2007 130.0 384.1558 120.0 399.0375 200.0 434.302 120.0 462.2035 190.0 479.0939 100.0 481.2009 130.0 531.0673 340.0 544.2217 200.0 558.9586 110.0 577.2493 230.0 579.1596 130.0 581.0149 250.0 581.2296 120.0 581.3322 140.0 656.1144 100.0 END IONS BEGIN IONS SCANS=9288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9292 PEPMASS=357.2268 CHARGE=-1 COLLISION_ENERGY=0.0 83.0503 180.0 102.0523 100.0 121.0624 150.0 130.9699 110.0 175.0333 140.0 177.2231 100.0 181.1264 100.0 183.1011 190.0 186.1223 100.0 197.0454 140.0 201.1104 350.0 209.1525 200.0 210.1398 130.0 215.1593 100.0 229.1607 130.0 229.9419 140.0 237.1492 880.0 237.1959 200.0 249.1584 220.0 251.1695 140.0 253.3524 110.0 254.0792 180.0 263.138 110.0 269.1713 580.0 270.177 330.0 271.1653 130.0 299.1928 260.0 300.1859 200.0 357.2234 370.0 358.228 170.0 359.1529 210.0 719.7661 130.0 END IONS BEGIN IONS SCANS=9293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9296 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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244.1138 130.0 262.127 1800.0 262.2121 120.0 263.127 360.0 263.1631 110.0 264.1313 260.0 300.2465 170.0 308.2528 160.0 327.2047 130.0 361.1896 140.0 379.0705 120.0 402.0989 130.0 436.981 130.0 469.1268 120.0 472.0479 190.0 482.3055 120.0 587.1894 110.0 653.3784 110.0 655.0099 120.0 END IONS BEGIN IONS SCANS=9314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9323 PEPMASS=0.0 CHARGE=1 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COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9333 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9337 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9338 PEPMASS=505.0782 CHARGE=-1 COLLISION_ENERGY=0.0 71.0127 190.0 72.9915 160.0 95.0141 120.0 101.0238 140.0 109.0668 120.0 122.0352 100.0 123.0482 130.0 135.0454 1200.0 174.0244 120.0 179.0353 100.0 181.068 150.0 197.0379 160.0 197.4465 110.0 209.0606 180.0 210.0564 140.0 214.0514 190.0 223.0388 300.0 224.0427 310.0 225.0528 470.0 226.0347 120.0 227.0656 250.0 235.0423 420.0 237.0673 170.0 251.038 740.0 252.0372 140.0 253.0492 11000.0 253.7617 210.0 253.8614 130.0 254.0531 2200.0 254.2054 130.0 255.0672 640.0 255.2306 120.0 256.0684 340.0 263.039 200.0 264.0431 390.0 264.0908 130.0 265.0514 1100.0 266.0563 170.0 267.0657 120.0 279.0265 1800.0 280.0314 380.0 280.1374 100.0 281.0438 7100.0 282.0508 2200.0 282.3017 100.0 283.06 9600.0 284.0599 2200.0 284.1443 200.0 284.2296 120.0 307.0212 810.0 307.0918 130.0 308.0305 260.0 309.0387 19000.0 310.04 3300.0 310.182 190.0 311.0433 220.0 311.2657 140.0 325.039 350.0 327.0495 5200.0 327.2372 280.0 328.0544 630.0 507.3052 180.0 737.2306 110.0 END IONS BEGIN IONS SCANS=9339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9342 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9343 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9344 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9345 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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306.046 270.0 306.9234 100.0 307.0263 1600.0 307.1811 130.0 308.03 900.0 308.0934 140.0 309.0388 5400.0 310.0441 210.0 310.3523 190.0 323.0582 570.0 324.0563 220.0 325.0306 410.0 327.0483 1500.0 356.1321 120.0 400.1616 260.0 END IONS BEGIN IONS SCANS=9350 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9351 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9352 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9353 PEPMASS=693.1668 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 240.0 90.0281 110.0 111.0037 260.0 186.1125 180.0 284.0332 200.0 285.0344 1000.0 286.0364 210.0 288.8014 170.0 351.0567 150.0 354.0709 250.0 355.0744 470.0 367.1218 100.0 387.1156 110.0 393.512 120.0 465.31 210.0 471.0873 180.0 633.146 120.0 634.1467 120.0 651.1494 300.0 651.2461 110.0 655.2474 120.0 663.1947 1500.0 664.1922 460.0 677.2073 110.0 693.1649 1800.0 693.311 210.0 693.3954 180.0 694.1638 790.0 695.2121 1900.0 695.3869 410.0 696.2175 450.0 END IONS BEGIN IONS SCANS=9354 PEPMASS=215.1275 CHARGE=-1 COLLISION_ENERGY=0.0 125.9718 120.0 153.1272 760.0 154.1273 120.0 197.1191 890.0 198.1266 140.0 257.5068 150.0 485.2451 110.0 END IONS BEGIN IONS SCANS=9355 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9356 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9357 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9358 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9359 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9360 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9361 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9362 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9363 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9364 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9365 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9366 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9367 PEPMASS=695.216 CHARGE=-1 COLLISION_ENERGY=0.0 153.0519 200.0 191.0512 130.0 205.0556 140.0 229.0936 110.0 233.0588 140.0 237.0446 110.0 247.09 130.0 271.0213 190.0 285.0321 100.0 286.0375 140.0 311.0096 180.0 326.0524 150.0 337.0715 180.0 354.0732 2200.0 354.2218 100.0 355.0829 1700.0 355.247 120.0 356.0793 720.0 359.0783 170.0 459.0753 150.0 475.1387 120.0 478.1932 140.0 663.1958 620.0 664.1974 450.0 667.3839 140.0 END IONS BEGIN IONS SCANS=9368 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9369 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9370 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9371 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9372 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9373 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9374 PEPMASS=0.0 CHARGE=1 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541.1373 140.0 547.2074 170.0 551.173 160.0 551.1918 130.0 564.1773 140.0 565.2066 1500.0 565.2915 180.0 566.1997 180.0 567.983 120.0 597.2017 130.0 683.2104 110.0 713.2562 370.0 714.2554 130.0 715.2551 110.0 726.2432 160.0 744.2763 110.0 910.1094 130.0 END IONS BEGIN IONS SCANS=9453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9454 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9455 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9456 PEPMASS=810.3047 CHARGE=-1 COLLISION_ENERGY=0.0 104.0229 100.0 150.0586 150.0 151.0389 550.0 165.0546 390.0 166.0602 150.0 195.0621 660.0 218.0732 110.0 228.1618 160.0 404.1393 110.0 417.1505 200.0 493.105 120.0 565.2043 210.0 566.2293 450.0 567.2177 320.0 567.2754 150.0 581.1623 130.0 585.2043 120.0 614.2278 150.0 714.2703 180.0 744.2625 260.0 762.2703 210.0 774.2935 160.0 775.23 140.0 792.2863 260.0 810.301 890.0 810.5152 140.0 811.2939 550.0 811.4418 130.0 812.2689 190.0 813.482 140.0 814.3459 110.0 END IONS BEGIN IONS SCANS=9457 PEPMASS=541.0909 CHARGE=-1 COLLISION_ENERGY=0.0 72.9928 130.0 101.0248 120.0 123.0442 130.0 135.0432 1800.0 135.1332 140.0 166.3479 150.0 179.0295 350.0 185.0097 110.0 188.995 130.0 197.0417 200.0 238.0623 130.0 265.0424 120.0 266.0532 250.0 266.0897 100.0 267.0595 180.0 278.169 110.0 281.0746 510.0 282.0855 130.0 309.042 140.0 310.0488 620.0 310.1182 120.0 311.0537 120.0 312.0514 110.0 325.0695 2700.0 326.0743 480.0 327.087 130.0 535.6812 130.0 END IONS BEGIN IONS SCANS=9458 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9459 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9460 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9461 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9463 PEPMASS=677.2049 CHARGE=-1 COLLISION_ENERGY=0.0 71.011 110.0 99.0424 100.0 204.0832 150.0 219.0616 110.0 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610.0 240.1838 150.0 247.2059 230.0 251.1632 2200.0 253.1716 180.0 259.1562 180.0 263.1981 110.0 265.1645 130.0 267.1519 140.0 269.1719 400.0 273.1759 140.0 289.1761 320.0 291.1934 2100.0 291.3202 170.0 291.354 110.0 292.1939 480.0 292.2536 110.0 307.194 220.0 309.2057 630.0 323.7536 130.0 324.1796 100.0 324.2191 110.0 325.2003 210.0 326.8198 130.0 327.2141 14000.0 328.2175 2800.0 328.3064 170.0 328.6405 120.0 328.7639 110.0 329.2181 170.0 530.1105 150.0 END IONS BEGIN IONS SCANS=9511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9512 PEPMASS=541.309 CHARGE=-1 COLLISION_ENERGY=0.0 71.0229 110.0 71.0505 140.0 87.0115 140.0 97.0663 140.0 121.0638 130.0 132.9731 110.0 160.9466 110.0 170.0617 130.0 172.0985 150.0 178.0082 140.0 230.121 140.0 310.0761 210.0 325.0698 220.0 347.1185 200.0 END IONS BEGIN IONS SCANS=9513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9515 PEPMASS=765.316 CHARGE=-1 COLLISION_ENERGY=0.0 135.0393 160.0 137.0578 200.0 160.6565 100.0 201.1016 150.0 219.7754 130.0 227.13 160.0 229.102 130.0 245.1161 120.0 283.0895 120.0 288.0966 100.0 297.1106 150.0 301.101 170.0 303.0723 140.0 313.0489 160.0 326.0426 110.0 424.4179 130.0 518.207 130.0 531.2334 120.0 557.1863 180.0 558.1998 110.0 564.9978 110.0 608.0456 170.0 646.7936 100.0 647.3508 140.0 698.298 110.0 729.2679 100.0 733.358 110.0 765.3166 2000.0 765.5591 190.0 765.615 170.0 766.3075 830.0 767.0867 150.0 767.225 170.0 767.3415 610.0 767.4459 300.0 768.3729 300.0 768.5222 130.0 769.3323 300.0 769.4187 210.0 END IONS BEGIN IONS SCANS=9516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9517 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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1400.0 132.0545 140.0 133.029 6100.0 133.1247 170.0 133.1373 160.0 133.5828 100.0 134.0279 400.0 134.0365 320.0 134.0637 140.0 150.0305 610.0 161.025 1500.0 162.0279 150.0 162.0322 230.0 190.0404 120.0 253.6905 100.0 450.4567 100.0 887.0338 180.0 END IONS BEGIN IONS SCANS=9678 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9679 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9680 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9681 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9682 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9683 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9684 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9685 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9686 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9687 PEPMASS=325.1998 CHARGE=-1 COLLISION_ENERGY=0.0 69.0351 440.0 71.015 520.0 71.0474 200.0 73.0299 280.0 83.0482 380.0 84.0249 230.0 85.0298 12000.0 85.0605 550.0 85.1134 290.0 86.0336 490.0 87.0419 200.0 93.0314 110.0 95.055 180.0 97.0293 360.0 97.0663 1400.0 97.3726 110.0 99.0421 480.0 101.0658 140.0 103.9648 100.0 109.0625 160.0 110.0387 150.0 111.0454 260.0 113.0561 270.0 123.078 320.0 125.0578 350.0 125.0804 120.0 149.0376 110.0 162.0511 180.0 165.5544 160.0 168.1065 150.0 169.0919 130.0 171.0979 170.0 179.5888 130.0 181.1129 160.0 182.4591 220.0 183.1361 14000.0 183.1773 330.0 183.2623 130.0 184.1354 1200.0 184.2151 110.0 195.1374 410.0 196.1412 150.0 205.1156 160.0 207.1761 250.0 209.1108 350.0 211.1311 3500.0 211.729 130.0 212.1367 330.0 213.1404 150.0 219.1447 120.0 221.162 200.0 223.1681 1200.0 223.2143 190.0 225.0596 160.0 229.1388 260.0 233.15 1400.0 233.2255 130.0 234.1563 170.0 239.1655 1100.0 240.1536 160.0 250.0564 100.0 251.1635 3500.0 251.2401 220.0 251.3104 130.0 251.4168 110.0 251.5424 130.0 252.1671 760.0 265.2086 260.0 269.1748 2000.0 269.3221 110.0 270.1803 430.0 273.1846 100.0 276.193 100.0 283.1883 420.0 289.191 110.0 291.1939 1500.0 292.1962 190.0 304.0794 130.0 309.2023 1200.0 310.2054 490.0 325.2059 250.0 326.1529 180.0 326.2153 160.0 327.0361 230.0 327.2129 15000.0 328.2162 2800.0 328.3349 260.0 328.3831 150.0 328.5007 160.0 328.6305 100.0 328.8408 160.0 329.2144 140.0 541.3864 150.0 553.9401 200.0 END IONS BEGIN IONS SCANS=9688 PEPMASS=809.3038 CHARGE=-1 COLLISION_ENERGY=0.0 78.9601 100.0 135.0402 190.0 138.0257 200.0 150.0324 790.0 151.0347 560.0 151.0715 140.0 162.0265 160.0 164.0399 240.0 164.9385 100.0 165.0552 2600.0 165.1279 160.0 166.0558 600.0 179.0787 110.0 180.0397 390.0 181.0507 270.0 195.0633 1500.0 196.0652 160.0 197.0792 110.0 283.0551 200.0 292.0656 110.0 297.0623 160.0 311.0483 170.0 311.6487 140.0 323.0499 130.0 329.0899 280.0 372.1181 130.0 388.5493 110.0 407.0636 160.0 417.1447 240.0 421.0451 160.0 535.1873 200.0 536.1069 100.0 542.1051 110.0 549.2139 160.0 559.1603 110.0 565.1939 310.0 566.2114 230.0 END IONS BEGIN IONS SCANS=9689 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9690 PEPMASS=845.2821 CHARGE=-1 COLLISION_ENERGY=0.0 135.0816 270.0 146.0663 160.0 151.0378 130.0 165.0543 290.0 195.0634 260.0 251.061 140.0 371.1068 130.0 547.2223 100.0 550.1768 120.0 565.2113 120.0 595.1869 140.0 606.1935 230.0 625.1311 120.0 635.2424 160.0 641.0756 120.0 642.9843 130.0 651.101 130.0 651.4395 150.0 663.051 110.0 671.3299 140.0 738.2931 180.0 785.2793 150.0 789.3339 120.0 792.2438 110.0 803.2288 310.0 804.2401 140.0 809.3033 700.0 810.3146 420.0 811.3198 240.0 812.2062 140.0 812.9948 100.0 839.9387 100.0 845.4708 230.0 846.2553 110.0 847.0652 140.0 847.313 460.0 847.46 160.0 848.3134 310.0 849.1934 250.0 849.5027 110.0 END IONS BEGIN IONS SCANS=9691 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9692 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9693 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END 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IONS BEGIN IONS SCANS=9706 PEPMASS=695.2153 CHARGE=-1 COLLISION_ENERGY=0.0 89.0243 180.0 116.923 160.0 119.0311 160.0 124.05 140.0 177.0663 240.0 179.0276 120.0 180.0284 110.0 191.0514 790.0 207.0542 200.0 325.0708 130.0 326.0683 320.0 327.2165 160.0 339.0598 640.0 340.056 310.0 354.0702 2000.0 354.2357 120.0 354.9195 180.0 355.0761 2000.0 355.1712 150.0 356.0762 330.0 386.0922 150.0 394.0725 170.0 397.1068 130.0 412.9925 130.0 425.0946 120.0 517.3319 130.0 627.2769 110.0 663.1973 590.0 663.9497 100.0 664.2023 240.0 END IONS BEGIN IONS SCANS=9707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9727 PEPMASS=541.3123 CHARGE=-1 COLLISION_ENERGY=0.0 95.0124 110.0 96.9567 260.0 110.9858 150.0 114.0544 360.0 171.0032 140.0 187.056 120.0 217.0832 110.0 224.9359 120.0 225.9028 130.0 234.4392 150.0 317.008 120.0 334.1144 130.0 339.0249 110.0 379.1845 120.0 379.811 120.0 385.4309 110.0 387.2334 160.0 397.0106 150.0 408.1153 250.0 408.9787 210.0 415.0769 180.0 515.0235 110.0 834.9533 100.0 END IONS BEGIN IONS SCANS=9728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9736 PEPMASS=426.2839 CHARGE=-1 COLLISION_ENERGY=0.0 97.0311 130.0 99.0521 150.0 99.5553 150.0 114.9752 100.0 116.0703 4300.0 116.9265 120.0 117.0736 240.0 117.0787 100.0 125.4954 110.0 153.0823 160.0 162.0573 130.0 165.1278 140.0 171.1003 250.0 184.1746 100.0 201.0147 140.0 243.1208 110.0 247.6248 130.0 255.0633 130.0 267.2077 110.0 292.1945 120.0 381.1458 140.0 381.2324 100.0 391.1156 130.0 426.284 3600.0 426.4727 120.0 427.0995 170.0 427.2802 1700.0 428.293 220.0 429.2153 130.0 END IONS BEGIN IONS SCANS=9737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9738 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9740 PEPMASS=713.1121 CHARGE=-1 COLLISION_ENERGY=0.0 88.0386 120.0 89.0344 240.0 101.0256 120.0 109.0244 190.0 133.033 100.0 135.0404 210.0 149.0257 110.0 151.0457 210.0 159.049 140.0 160.0153 120.0 161.0205 240.0 177.0165 190.0 179.0324 180.0 219.0836 100.0 221.0343 160.0 229.0082 260.0 241.0244 180.0 243.0264 110.0 260.9438 140.0 275.0203 110.0 283.0507 110.0 294.0514 100.0 295.0553 290.0 309.0365 300.0 309.0549 120.0 313.0711 110.0 321.0342 140.0 335.0183 11000.0 335.1926 160.0 335.2566 190.0 335.8781 100.0 336.0195 2200.0 336.1341 100.0 336.144 130.0 337.0266 300.0 337.0348 420.0 338.0347 430.0 339.0462 130.0 341.0638 140.0 353.0479 140.0 357.0463 350.0 394.1215 240.0 405.0653 180.0 413.0834 120.0 445.1264 260.0 472.0728 150.0 475.0813 210.0 489.1071 100.0 515.0309 200.0 516.0717 100.0 519.1052 120.0 522.8683 140.0 532.0436 220.0 533.0807 340.0 533.1481 100.0 555.1191 160.0 594.0723 240.0 616.6361 210.0 660.3137 140.0 696.158 110.0 713.1074 580.0 713.3604 250.0 714.1138 250.0 714.3971 130.0 715.1209 160.0 715.3888 240.0 716.1335 340.0 717.1374 300.0 758.0132 110.0 965.134 140.0 END IONS BEGIN IONS SCANS=9741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9744 PEPMASS=297.1231 CHARGE=-1 COLLISION_ENERGY=0.0 92.0518 130.0 104.0497 390.0 108.0809 670.0 108.1128 150.0 121.0526 1800.0 122.0602 180.0 136.0763 1600.0 137.0794 200.0 147.0347 200.0 148.0402 840.0 160.0375 220.0 205.5378 150.0 END IONS BEGIN IONS SCANS=9745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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490.334 130.0 505.3023 140.0 506.3181 130.0 507.3308 610.0 507.4001 120.0 508.3379 510.0 509.3441 180.0 560.2158 180.0 633.3993 190.0 636.4328 120.0 651.3695 140.0 652.3745 170.0 669.3892 1300.0 670.3938 1100.0 671.4005 140.0 831.4329 1100.0 831.5434 140.0 832.4343 410.0 833.2378 160.0 939.2513 160.0 END IONS BEGIN IONS SCANS=9761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9765 PEPMASS=813.4497 CHARGE=-1 COLLISION_ENERGY=0.0 78.9597 130.0 85.0327 180.0 87.0462 150.0 87.0628 100.0 211.0314 100.0 464.1254 260.0 464.3023 140.0 507.4805 100.0 651.4007 220.0 652.3947 140.0 668.4023 120.0 679.9124 120.0 780.3531 160.0 813.4509 2800.0 813.6976 130.0 814.2103 200.0 814.2784 110.0 814.4592 870.0 815.4611 1200.0 815.6012 110.0 815.6767 140.0 816.2769 120.0 816.4632 310.0 END IONS BEGIN IONS SCANS=9766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9767 PEPMASS=487.0656 CHARGE=-1 COLLISION_ENERGY=0.0 85.2618 220.0 87.0471 120.0 92.9274 200.0 133.0313 160.0 135.0468 790.0 138.0657 130.0 147.093 250.0 170.058 150.0 193.0562 250.0 207.0387 140.0 220.042 180.0 234.0242 270.0 235.0415 700.0 249.0406 200.0 254.1185 140.0 263.0349 2700.0 263.1317 120.0 263.1788 160.0 264.039 1100.0 264.0891 210.0 265.0465 1800.0 265.1717 130.0 266.0534 290.0 266.0941 150.0 278.0502 140.0 279.0259 640.0 279.0833 120.0 291.0248 140.0 295.0605 210.0 307.0195 700.0 308.0294 280.0 309.0372 1000.0 321.0361 420.0 380.0527 160.0 END IONS BEGIN IONS SCANS=9768 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9782 PEPMASS=541.314 CHARGE=-1 COLLISION_ENERGY=0.0 116.0653 230.0 135.0463 330.0 167.038 170.0 170.879 150.0 171.1285 140.0 177.0118 120.0 188.056 150.0 200.1359 160.0 257.1141 120.0 271.1491 110.0 309.039 170.0 313.1596 130.0 324.1157 180.0 341.0678 210.0 345.0396 200.0 409.2548 110.0 445.0861 240.0 457.1169 120.0 472.1514 130.0 500.1285 110.0 506.2699 150.0 525.1759 110.0 541.3233 250.0 542.2077 250.0 542.3145 300.0 543.0971 240.0 543.2713 340.0 543.3876 130.0 544.2674 280.0 545.357 110.0 715.1392 170.0 END IONS BEGIN IONS SCANS=9783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9794 PEPMASS=331.248 CHARGE=-1 COLLISION_ENERGY=0.0 97.0669 300.0 127.1105 730.0 152.9602 140.0 155.1074 440.0 157.1201 420.0 161.0482 200.0 313.2303 200.0 331.2524 170.0 END IONS BEGIN IONS SCANS=9795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9797 PEPMASS=367.221 CHARGE=-1 COLLISION_ENERGY=0.0 211.1217 150.0 229.1362 410.0 329.2306 920.0 329.2971 180.0 330.2315 320.0 331.2463 1600.0 331.6822 150.0 332.1659 130.0 332.242 440.0 333.7064 100.0 369.1231 110.0 END IONS BEGIN IONS SCANS=9798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9800 PEPMASS=512.3004 CHARGE=-1 COLLISION_ENERGY=0.0 71.0199 140.0 74.0284 170.0 87.0466 130.0 102.9563 120.0 124.0434 140.0 193.0837 110.0 204.9713 100.0 218.0414 170.0 223.2054 140.0 253.2184 870.0 254.223 420.0 265.2069 280.0 331.015 130.0 747.14 110.0 END IONS BEGIN IONS SCANS=9801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9810 PEPMASS=269.045 CHARGE=-1 COLLISION_ENERGY=0.0 63.0248 1200.0 63.0523 130.0 65.0032 2200.0 77.0372 250.0 77.0434 120.0 79.0187 140.0 83.0124 180.0 89.0384 430.0 107.0127 800.0 107.0335 190.0 117.0351 7400.0 117.1228 160.0 118.0358 100.0 118.0403 220.0 121.0289 470.0 128.0583 160.0 130.0425 270.0 143.0525 160.0 149.0276 480.0 151.0024 490.0 159.0457 210.0 182.04 150.0 202.0637 170.0 641.1921 260.0 END IONS BEGIN IONS SCANS=9811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9814 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9815 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9817 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9818 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9819 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9820 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9821 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9822 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9823 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9824 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9825 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9826 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9827 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9828 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9829 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9830 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9838 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9839 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9840 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9841 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9842 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9843 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9844 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9845 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9846 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9847 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9848 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9849 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9850 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9851 PEPMASS=329.2319 CHARGE=-1 COLLISION_ENERGY=0.0 80.0241 110.0 99.0833 200.0 127.1098 180.0 139.1077 100.0 167.1394 150.0 171.0991 370.0 211.1321 230.0 259.5487 200.0 330.938 170.0 END IONS BEGIN IONS SCANS=9852 PEPMASS=365.2082 CHARGE=-1 COLLISION_ENERGY=0.0 99.9248 130.0 117.0279 240.0 127.1109 190.0 157.1211 190.0 183.1194 110.0 185.1378 110.0 199.957 130.0 211.1393 350.0 211.4279 110.0 216.9585 120.0 END IONS BEGIN IONS SCANS=9853 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9854 PEPMASS=397.2193 CHARGE=-1 COLLISION_ENERGY=0.0 68.0546 100.0 121.0162 120.0 137.0951 130.0 163.0187 110.0 165.1288 310.0 171.1 470.0 182.1383 120.0 185.0872 170.0 187.1132 130.0 191.0572 220.0 193.0783 220.0 211.1356 240.0 212.1346 210.0 214.0236 120.0 234.1186 140.0 275.0956 110.0 315.1267 130.0 331.2517 200.0 END IONS BEGIN IONS SCANS=9855 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9856 PEPMASS=505.1134 CHARGE=-1 COLLISION_ENERGY=0.0 71.0143 270.0 75.0094 270.0 78.9608 110.0 101.0232 420.0 152.0009 150.0 180.0588 100.0 195.0566 160.0 210.4974 130.0 225.0534 330.0 225.9471 120.0 233.097 130.0 236.0315 170.0 239.0289 250.0 266.0554 320.0 267.0628 2600.0 267.1668 150.0 267.2502 120.0 268.0691 490.0 268.198 120.0 269.0606 280.0 283.0671 120.0 285.0611 130.0 295.0251 450.0 304.0624 140.0 309.038 170.0 311.0587 490.0 312.0605 110.0 333.0355 130.0 345.1138 100.0 361.1365 110.0 365.1606 110.0 415.105 100.0 507.3287 140.0 END IONS BEGIN IONS SCANS=9857 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9858 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9859 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9860 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9861 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9862 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9863 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9864 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9865 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9866 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9867 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9868 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9869 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9870 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9871 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9872 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9873 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9874 PEPMASS=512.2959 CHARGE=-1 COLLISION_ENERGY=0.0 71.015 440.0 71.0454 120.0 72.9943 220.0 73.0316 1300.0 73.0925 120.0 84.0406 120.0 88.0389 120.0 109.039 120.0 221.1803 110.0 223.0991 170.0 223.2021 700.0 224.2072 460.0 225.2176 140.0 227.0109 150.0 235.205 310.0 245.0267 120.0 253.2155 1600.0 254.2117 750.0 254.2703 100.0 255.2358 110.0 265.207 190.0 266.2406 170.0 282.2345 470.0 283.2417 200.0 290.2397 250.0 299.6815 150.0 315.2499 100.0 END IONS BEGIN IONS SCANS=9875 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9876 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9877 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9879 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9883 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9884 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9885 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9886 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9887 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9888 PEPMASS=439.2762 CHARGE=-1 COLLISION_ENERGY=0.0 72.9909 210.0 87.0411 160.0 87.0676 100.0 127.0523 370.0 128.0398 240.0 134.8891 110.0 138.0522 200.0 145.0566 390.0 244.9866 150.0 261.0458 240.0 290.2253 120.0 329.2307 400.0 343.2531 120.0 352.21 230.0 373.1882 200.0 394.5808 110.0 421.2652 140.0 439.2772 1800.0 439.4146 110.0 440.286 730.0 441.2814 220.0 442.2554 170.0 END IONS BEGIN IONS SCANS=9889 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9890 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9893 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9894 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9895 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9896 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9897 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9898 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9899 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9900 PEPMASS=677.2067 CHARGE=-1 COLLISION_ENERGY=0.0 173.0613 110.0 175.0004 480.0 191.0402 170.0 199.1502 160.0 267.058 130.0 285.0445 120.0 298.0339 200.0 313.0184 470.0 314.033 150.0 325.035 2000.0 325.1575 100.0 326.0356 430.0 353.0864 170.0 364.5723 120.0 368.0896 3300.0 368.265 130.0 369.0919 2100.0 369.2108 150.0 369.2691 130.0 369.4673 110.0 370.1012 700.0 370.1688 110.0 371.0895 140.0 384.1134 100.0 413.1113 120.0 534.3044 120.0 677.2146 240.0 677.3388 130.0 678.2079 440.0 END IONS BEGIN IONS SCANS=9901 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9902 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9903 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9904 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9905 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9906 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9907 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9908 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9910 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9914 PEPMASS=0.0 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110.0 220.066 100.0 234.1021 190.0 245.112 110.0 249.0462 180.0 251.1686 100.0 261.1794 120.0 280.2016 130.0 321.1963 110.0 490.3231 100.0 END IONS BEGIN IONS SCANS=9980 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9981 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9982 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9983 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9984 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9985 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9986 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9987 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9988 PEPMASS=327.2161 CHARGE=-1 COLLISION_ENERGY=0.0 96.9601 270.0 97.027 210.0 104.0546 160.0 118.0349 130.0 149.9967 130.0 177.1286 200.0 190.8863 260.0 213.1292 110.0 228.0232 160.0 241.0373 140.0 449.1757 110.0 END IONS BEGIN IONS SCANS=9989 PEPMASS=385.1736 CHARGE=-1 COLLISION_ENERGY=0.0 111.0829 170.0 173.1167 210.0 179.136 220.0 195.1351 190.0 197.7005 130.0 215.1438 170.0 219.131 420.0 221.143 120.0 239.1574 230.0 261.1411 250.0 363.0781 120.0 END IONS BEGIN IONS SCANS=9990 PEPMASS=395.2017 CHARGE=-1 COLLISION_ENERGY=0.0 79.9577 130.0 128.1137 150.0 145.0703 110.0 181.1282 270.0 182.1267 160.0 193.1536 210.0 195.1373 100.0 196.9984 110.0 213.1295 250.0 215.1425 250.0 217.1233 290.0 219.1365 180.0 239.1574 170.0 247.1 100.0 260.1348 160.0 261.1377 440.0 262.1033 110.0 321.1658 210.0 331.1772 180.0 END IONS BEGIN IONS SCANS=9991 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9992 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9993 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9994 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9995 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=9996 PEPMASS=0.0 CHARGE=1 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200.0 221.1511 120.0 223.9974 240.0 235.1652 120.0 235.302 110.0 291.1949 460.0 292.1955 170.0 298.0349 150.0 309.159 230.0 309.2077 170.0 312.2118 150.0 313.2369 120.0 END IONS BEGIN IONS SCANS=10523 PEPMASS=341.229 CHARGE=-1 COLLISION_ENERGY=0.0 69.0342 190.0 83.0484 110.0 83.2459 110.0 119.0801 100.0 147.0145 110.0 163.007 160.0 171.1064 110.0 201.0978 130.0 208.0804 110.0 271.7938 100.0 END IONS BEGIN IONS SCANS=10524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10528 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10529 PEPMASS=440.2979 CHARGE=-1 COLLISION_ENERGY=0.0 83.0114 150.0 87.048 430.0 94.0302 230.0 94.8635 140.0 116.0706 330.0 116.9279 190.0 118.085 140.0 127.0543 180.0 128.0323 400.0 128.1068 250.0 130.0866 6000.0 130.1437 180.0 130.1806 100.0 130.9655 130.0 131.0876 360.0 131.0945 220.0 133.0472 160.0 134.0224 100.0 136.081 110.0 170.1167 120.0 174.9512 210.0 175.1114 130.0 180.968 190.0 197.1151 120.0 200.1446 100.0 206.1596 140.0 212.991 100.0 223.1688 120.0 235.1899 270.0 240.1998 130.0 241.0739 110.0 241.1927 200.0 271.1368 140.0 282.166 200.0 290.2448 110.0 308.2173 130.0 311.2122 350.0 326.1014 130.0 327.2098 330.0 337.058 110.0 337.2151 130.0 349.1798 120.0 367.1486 140.0 378.9711 110.0 440.2953 3200.0 440.5551 240.0 440.758 130.0 441.1601 160.0 441.2266 140.0 441.2961 1400.0 441.4439 120.0 442.3087 860.0 443.2073 110.0 848.8534 120.0 END IONS BEGIN IONS SCANS=10530 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10531 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10532 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10533 PEPMASS=623.1189 CHARGE=-1 COLLISION_ENERGY=0.0 96.9572 130.0 108.0474 180.0 111.0858 120.0 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270.0 94.9237 140.0 102.0357 170.0 109.0711 130.0 123.0812 160.0 126.9955 180.0 133.0312 120.0 184.029 100.0 213.0402 170.0 221.1121 180.0 236.0467 130.0 237.0237 100.0 243.0282 150.0 251.1325 120.0 268.142 120.0 275.1915 160.0 277.0485 150.0 286.1107 160.0 295.2052 140.0 308.1903 110.0 309.2044 220.0 311.2197 860.0 312.222 110.0 364.1893 110.0 382.2574 1800.0 382.4913 130.0 383.1093 120.0 383.1598 120.0 383.2576 930.0 END IONS BEGIN IONS SCANS=10575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10576 PEPMASS=313.2377 CHARGE=-1 COLLISION_ENERGY=0.0 117.0313 100.0 118.0283 220.0 155.0546 130.0 164.9749 130.0 165.0086 190.0 256.0364 110.0 794.2433 120.0 END IONS BEGIN IONS SCANS=10577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10578 PEPMASS=345.2632 CHARGE=-1 COLLISION_ENERGY=0.0 96.9548 210.0 103.0516 110.0 138.0525 130.0 152.099 110.0 158.0325 180.0 183.1373 210.0 281.8235 100.0 299.8932 270.0 317.1297 110.0 END IONS BEGIN IONS SCANS=10579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10582 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10583 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10586 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10587 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10588 PEPMASS=431.2606 CHARGE=-1 COLLISION_ENERGY=0.0 74.9907 280.0 102.9553 390.0 110.0001 160.0 121.0632 100.0 123.0831 110.0 137.9907 190.0 158.9826 120.0 161.0353 150.0 174.9456 110.0 179.0332 100.0 205.1451 140.0 217.0048 120.0 227.0671 110.0 259.0898 270.0 279.1519 100.0 294.8745 130.0 311.2238 230.0 312.2174 190.0 319.1687 100.0 345.2531 150.0 371.286 330.0 373.2526 110.0 397.0945 120.0 397.1449 160.0 416.2768 130.0 433.215 130.0 END IONS BEGIN IONS SCANS=10589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10597 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10599 PEPMASS=421.2323 CHARGE=-1 COLLISION_ENERGY=0.0 99.9213 180.0 100.9293 110.0 130.9666 130.0 148.0365 110.0 279.0702 100.0 291.1471 100.0 END IONS BEGIN IONS SCANS=10600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10601 PEPMASS=580.3256 CHARGE=-1 COLLISION_ENERGY=0.0 125.0614 120.0 183.0973 190.0 185.7134 200.0 203.0773 110.0 204.0823 140.0 217.0588 140.0 217.1281 270.0 217.1643 120.0 223.0408 110.0 259.1275 150.0 273.102 100.0 295.2264 710.0 431.2166 100.0 463.0766 170.0 497.2925 120.0 520.305 1500.0 521.3146 870.0 522.3117 140.0 581.183 240.0 581.318 230.0 582.17 120.0 584.3264 120.0 END IONS BEGIN IONS SCANS=10602 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10603 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10604 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10606 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10607 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10608 PEPMASS=0.0 CHARGE=1 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CHARGE=-1 COLLISION_ENERGY=0.0 93.0347 240.0 121.0284 110.0 155.1478 120.0 165.0829 170.0 171.0952 120.0 223.0504 100.0 235.2064 150.0 237.2245 100.0 262.0884 110.0 284.1688 270.0 303.2068 200.0 349.1921 200.0 END IONS BEGIN IONS SCANS=10630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10636 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10637 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10639 PEPMASS=537.0826 CHARGE=-1 COLLISION_ENERGY=0.0 61.9906 150.0 85.034 180.0 93.0397 190.0 98.9591 170.0 107.0132 110.0 117.0321 560.0 135.043 420.0 151.0067 120.0 159.0409 200.0 159.046 420.0 161.0194 230.0 185.0111 140.0 185.0849 100.0 194.044 170.0 203.0397 130.0 204.9352 100.0 208.129 190.0 227.1457 210.0 231.0299 100.0 248.042 120.0 261.0535 120.0 269.1194 120.0 295.2234 280.0 299.0244 170.0 307.0626 640.0 307.1069 150.0 313.0615 200.0 329.0616 240.0 331.0615 1000.0 332.0653 560.0 333.0456 500.0 334.0436 100.0 347.0509 160.0 355.0634 140.0 357.0218 150.0 358.043 100.0 359.0513 150.0 374.3083 110.0 375.051 6100.0 375.1503 220.0 375.2268 240.0 375.9377 130.0 376.0558 1900.0 377.0495 270.0 383.0815 120.0 389.058 110.0 399.0553 1200.0 400.0465 140.0 400.0688 210.0 401.0346 690.0 402.0454 150.0 417.0605 1600.0 417.1748 180.0 417.7003 120.0 418.0571 600.0 419.0672 130.0 427.0851 190.0 443.0454 180.0 443.0587 150.0 444.0384 250.0 451.0837 110.0 470.1028 240.0 537.078 110.0 539.1076 100.0 772.9042 140.0 END IONS BEGIN IONS SCANS=10640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 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130.0 END IONS BEGIN IONS SCANS=10707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10708 PEPMASS=307.1894 CHARGE=-1 COLLISION_ENERGY=0.0 65.0403 490.0 71.0487 160.0 79.0625 100.0 91.0578 130.0 97.067 180.0 105.0695 260.0 121.0668 190.0 123.0835 130.0 126.1041 110.0 141.091 230.0 END IONS BEGIN IONS SCANS=10709 PEPMASS=375.1791 CHARGE=-1 COLLISION_ENERGY=0.0 65.0402 380.0 79.9557 340.0 97.0702 160.0 98.0674 160.0 107.0443 220.0 119.086 140.0 121.0691 310.0 125.0966 370.0 189.1298 310.0 206.1629 130.0 247.126 100.0 309.2113 130.0 333.0695 200.0 798.7781 180.0 950.7679 230.0 END IONS BEGIN IONS SCANS=10710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10713 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10714 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10715 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10716 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10717 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10718 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10719 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10720 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10729 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10730 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10731 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10732 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10733 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10734 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10735 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10736 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10737 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10738 PEPMASS=287.1856 CHARGE=-1 COLLISION_ENERGY=0.0 207.1693 200.0 225.1836 740.0 226.1886 170.0 226.2267 100.0 241.1782 1500.0 242.1791 350.0 269.1994 200.0 287.1892 1300.0 288.1911 330.0 END IONS BEGIN IONS SCANS=10739 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10741 PEPMASS=369.2238 CHARGE=-1 COLLISION_ENERGY=0.0 65.9999 180.0 69.0354 150.0 79.9541 160.0 83.9349 190.0 111.0811 180.0 112.0903 180.0 176.0315 140.0 183.1351 430.0 211.1347 370.0 323.1031 210.0 326.1197 110.0 958.4733 130.0 END IONS BEGIN IONS SCANS=10742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10744 PEPMASS=311.2206 CHARGE=-1 COLLISION_ENERGY=0.0 72.994 190.0 81.0346 100.0 82.0678 260.0 99.0862 250.0 111.0762 120.0 112.0118 200.0 113.0591 170.0 113.0938 180.0 121.0962 220.0 127.1145 140.0 130.9643 660.0 135.1142 260.0 139.1108 380.0 145.0447 150.0 155.1074 450.0 156.1243 100.0 159.0952 170.0 171.1003 280.0 172.097 150.0 174.9567 330.0 176.9621 140.0 181.1214 550.0 191.1033 160.0 191.464 120.0 203.0702 300.0 210.0823 180.0 211.8203 150.0 277.2375 140.0 284.0211 210.0 293.2127 780.0 295.2247 270.0 296.1176 210.0 311.2226 520.0 313.0354 170.0 313.1195 120.0 313.2402 3600.0 313.3249 260.0 313.4043 160.0 314.2336 410.0 END IONS BEGIN IONS SCANS=10745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10750 PEPMASS=271.1537 CHARGE=-1 COLLISION_ENERGY=0.0 71.0494 110.0 83.0913 160.0 127.0765 510.0 211.1693 100.0 END IONS BEGIN IONS SCANS=10751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10752 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10754 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10755 PEPMASS=187.1331 CHARGE=-1 COLLISION_ENERGY=0.0 141.1282 860.0 142.1295 350.0 142.8955 130.0 187.1293 180.0 END IONS BEGIN IONS SCANS=10756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10757 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10758 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10759 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10760 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10761 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10762 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10763 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10764 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10765 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10766 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10767 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10768 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10769 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10770 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10777 PEPMASS=243.1591 CHARGE=-1 COLLISION_ENERGY=0.0 130.9644 840.0 148.5081 160.0 153.1273 170.0 174.9489 120.0 181.1562 840.0 199.1656 200.0 204.5254 130.0 225.1477 890.0 225.193 200.0 226.1531 240.0 243.1562 480.0 518.8067 110.0 END IONS BEGIN IONS SCANS=10778 PEPMASS=309.2052 CHARGE=-1 COLLISION_ENERGY=0.0 71.0489 120.0 74.0295 120.0 80.0264 200.0 83.0599 130.0 END IONS BEGIN IONS SCANS=10779 PEPMASS=345.181 CHARGE=-1 COLLISION_ENERGY=0.0 87.0407 110.0 115.0333 200.0 161.0192 180.0 164.9255 110.0 171.0981 320.0 193.0397 140.0 203.1034 140.0 221.1493 340.0 222.1531 140.0 227.1044 180.0 230.1934 120.0 251.1613 150.0 260.0755 120.0 291.1998 100.0 309.2082 150.0 345.2696 140.0 347.2437 110.0 393.4504 140.0 END IONS BEGIN IONS SCANS=10780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10791 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10793 PEPMASS=309.1748 CHARGE=-1 COLLISION_ENERGY=0.0 70.9982 150.0 73.0304 200.0 95.0096 260.0 99.01 620.0 99.0787 130.0 116.925 120.0 122.0305 120.0 123.0415 100.0 130.9634 320.0 137.0645 240.0 137.0897 130.0 189.0902 170.0 209.1557 270.0 END IONS BEGIN IONS SCANS=10794 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10796 PEPMASS=341.2309 CHARGE=-1 COLLISION_ENERGY=0.0 87.0463 140.0 130.0882 140.0 179.1321 120.0 END IONS BEGIN IONS SCANS=10797 PEPMASS=377.1942 CHARGE=-1 COLLISION_ENERGY=0.0 67.0548 180.0 87.0448 320.0 91.0567 220.0 97.0665 350.0 119.8483 130.0 130.9646 100.0 243.1321 120.0 285.9756 230.0 END IONS BEGIN IONS SCANS=10798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10800 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10803 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10807 PEPMASS=707.1527 CHARGE=-1 COLLISION_ENERGY=0.0 147.802 100.0 161.0598 160.0 177.0144 150.0 179.0333 110.0 260.0563 150.0 362.015 120.0 367.2485 120.0 475.0969 150.0 475.2053 160.0 490.1048 1600.0 490.2405 210.0 491.1065 530.0 491.1637 220.0 492.4518 130.0 508.1195 600.0 509.1153 560.0 581.7736 140.0 671.1771 2600.0 671.4075 170.0 671.4759 120.0 671.7753 100.0 672.1794 1700.0 672.2721 230.0 672.3784 140.0 673.171 590.0 673.3448 150.0 673.7915 120.0 674.1557 140.0 677.267 110.0 678.9984 110.0 707.2014 120.0 707.3837 330.0 708.2571 120.0 709.4033 270.0 709.488 140.0 710.1498 140.0 711.297 220.0 END IONS BEGIN IONS SCANS=10808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10812 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10813 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10814 PEPMASS=695.3797 CHARGE=-1 COLLISION_ENERGY=0.0 91.0375 110.0 103.0063 130.0 114.0318 110.0 171.0993 160.0 172.0921 130.0 235.0426 140.0 235.0752 130.0 297.2414 1400.0 299.2284 110.0 340.5784 170.0 379.0122 110.0 397.1325 850.0 398.1449 150.0 401.0803 150.0 415.1433 190.0 416.1535 180.0 425.1585 150.0 551.2585 100.0 576.2758 150.0 594.2776 110.0 612.2961 150.0 629.2603 180.0 630.3203 160.0 695.3729 480.0 696.28 260.0 696.3734 170.0 697.2729 150.0 697.45 150.0 699.2994 230.0 END IONS BEGIN IONS SCANS=10815 PEPMASS=271.1542 CHARGE=-1 COLLISION_ENERGY=0.0 60.4359 110.0 197.0207 160.0 581.9174 110.0 641.782 110.0 END IONS BEGIN IONS SCANS=10816 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10817 PEPMASS=673.3218 CHARGE=-1 COLLISION_ENERGY=0.0 71.2638 110.0 72.9924 160.0 117.039 150.0 135.0454 1800.0 151.0432 170.0 161.0214 1900.0 161.0799 130.0 161.138 110.0 162.0222 170.0 179.0361 4100.0 180.0335 720.0 180.0753 140.0 180.1619 130.0 197.0428 740.0 268.1514 110.0 289.1359 140.0 341.0668 250.0 438.1692 130.0 475.2464 110.0 495.2428 110.0 511.2952 600.0 674.3044 150.0 END IONS BEGIN IONS SCANS=10818 PEPMASS=674.3253 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IONS SCANS=10878 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10879 PEPMASS=861.4461 CHARGE=-1 COLLISION_ENERGY=0.0 72.9968 140.0 89.029 140.0 101.0202 130.0 125.1059 290.0 136.0483 140.0 162.0271 100.0 169.0886 130.0 179.0496 120.0 179.1333 160.0 180.0338 190.0 187.0955 1200.0 195.1363 130.0 229.0076 130.0 236.0921 220.0 243.1308 110.0 245.1385 120.0 275.2109 110.0 293.2131 140.0 294.2075 160.0 321.0266 170.0 333.1575 120.0 335.1003 140.0 339.2091 160.0 407.0431 110.0 415.1466 480.0 435.066 140.0 552.1857 170.0 569.228 100.0 585.2419 570.0 696.375 220.0 751.3601 120.0 843.4463 220.0 843.5073 130.0 854.171 140.0 861.4463 1400.0 862.4448 1100.0 862.5619 250.0 862.7226 100.0 863.4391 450.0 863.5211 150.0 864.2587 150.0 END IONS BEGIN IONS SCANS=10880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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507.257 150.0 522.3429 110.0 523.3186 110.0 525.2251 170.0 533.0823 110.0 635.9531 130.0 774.6837 170.0 END IONS BEGIN IONS SCANS=10890 PEPMASS=311.1878 CHARGE=-1 COLLISION_ENERGY=0.0 60.0147 150.0 71.0161 150.0 72.9961 140.0 79.9577 260.0 125.0963 270.0 126.0206 100.0 130.9683 150.0 133.0301 120.0 141.129 120.0 161.0264 100.0 167.1296 230.0 169.1211 160.0 174.9456 150.0 176.9565 200.0 215.1217 100.0 223.8619 150.0 249.1794 700.0 249.185 300.0 249.2108 170.0 252.0423 110.0 267.1945 9400.0 267.2402 310.0 268.2003 1800.0 270.1979 180.0 271.5865 110.0 275.1605 650.0 275.1989 210.0 276.1679 130.0 277.1579 110.0 293.176 1500.0 293.1819 1200.0 294.1777 280.0 294.1866 530.0 294.2045 130.0 294.9544 120.0 311.2067 260.0 311.2213 1500.0 312.219 170.0 313.2229 100.0 313.23 1000.0 314.0712 160.0 315.1168 140.0 315.1611 180.0 END IONS BEGIN IONS SCANS=10891 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=10892 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS 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PEPMASS=309.1734 CHARGE=-1 COLLISION_ENERGY=0.0 69.0301 140.0 81.0665 200.0 94.9213 120.0 96.0056 170.0 96.9629 120.0 97.0726 130.0 98.6015 120.0 120.0558 100.0 130.9631 180.0 147.08 250.0 151.0734 250.0 162.1023 270.0 163.1067 100.0 179.0705 130.0 179.1076 100.0 183.0117 200.0 204.1475 140.0 219.1766 160.0 265.1846 120.0 338.1248 270.0 END IONS BEGIN IONS SCANS=11223 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11224 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11225 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11226 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11227 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11228 PEPMASS=675.3566 CHARGE=-1 COLLISION_ENERGY=0.0 71.0157 130.0 97.0297 150.0 101.0226 120.0 119.0434 110.0 172.0784 120.0 179.052 370.0 235.0852 120.0 236.0792 120.0 253.0944 230.0 275.1078 140.0 277.2163 890.0 278.1009 130.0 278.2148 220.0 287.0745 110.0 291.1918 100.0 293.2145 120.0 307.2273 240.0 350.153 110.0 379.2315 140.0 397.1309 920.0 398.1485 210.0 399.1487 100.0 415.1494 320.0 423.1534 140.0 447.2211 110.0 551.1427 120.0 641.4188 120.0 675.167 110.0 675.4057 140.0 677.3327 140.0 678.3389 120.0 678.4564 130.0 END IONS BEGIN IONS SCANS=11229 PEPMASS=711.3342 CHARGE=-1 COLLISION_ENERGY=0.0 119.0301 160.0 195.0253 140.0 233.1474 170.0 277.2107 200.0 421.188 220.0 428.2626 140.0 669.2153 120.0 END IONS BEGIN IONS SCANS=11230 PEPMASS=721.3625 CHARGE=-1 COLLISION_ENERGY=0.0 73.0336 110.0 101.0243 200.0 169.0061 130.0 212.1672 190.0 277.2208 600.0 309.1741 130.0 360.0988 110.0 363.2159 160.0 379.125 150.0 383.1188 140.0 386.2051 100.0 397.1335 2400.0 397.2272 280.0 397.3169 130.0 398.1416 470.0 415.1418 850.0 415.2083 160.0 416.146 230.0 417.1622 120.0 427.1072 210.0 670.0776 110.0 675.3666 610.0 676.3597 360.0 677.3433 120.0 677.5532 120.0 721.4324 210.0 722.3452 180.0 724.3562 130.0 END IONS BEGIN IONS SCANS=11231 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11232 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11233 PEPMASS=257.175 CHARGE=-1 COLLISION_ENERGY=0.0 161.0287 150.0 168.0109 120.0 END IONS BEGIN IONS SCANS=11234 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11235 PEPMASS=483.2369 CHARGE=-1 COLLISION_ENERGY=0.0 78.9598 1300.0 97.03 120.0 99.9253 140.0 108.0438 170.0 112.9883 240.0 114.0559 150.0 114.9907 110.0 118.9468 130.0 139.1097 100.0 152.9944 2600.0 153.0527 170.0 153.9926 120.0 154.1325 110.0 161.0264 110.0 164.9202 210.0 172.1031 110.0 176.037 130.0 209.0706 170.0 225.1079 160.0 231.1509 190.0 236.1117 110.0 278.9027 240.0 280.1138 170.0 280.9079 100.0 281.0895 180.0 282.0483 110.0 295.2169 110.0 299.1928 210.0 301.9523 130.0 313.2474 250.0 333.1155 170.0 373.1724 110.0 400.0563 140.0 400.1051 170.0 411.1041 110.0 413.979 200.0 417.3444 120.0 439.1455 160.0 449.1944 100.0 483.2401 1400.0 484.0987 100.0 484.2328 180.0 485.3151 250.0 487.2183 130.0 487.3436 160.0 695.8409 110.0 END IONS BEGIN IONS SCANS=11236 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11237 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11238 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11239 PEPMASS=194.0809 CHARGE=-1 COLLISION_ENERGY=0.0 94.9792 160.0 106.0413 150.0 134.0345 230.0 149.0594 640.0 151.1045 180.0 160.8866 140.0 164.0766 150.0 176.898 150.0 194.0843 390.0 195.1411 120.0 END IONS BEGIN IONS SCANS=11240 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11241 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11242 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11243 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11244 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11245 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11246 PEPMASS=0.0 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150.0 END IONS BEGIN IONS SCANS=11255 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11256 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11257 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11258 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11259 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11260 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11261 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11262 PEPMASS=641.1656 CHARGE=-1 COLLISION_ENERGY=0.0 72.9952 110.0 110.6927 110.0 125.0596 120.0 134.0343 160.0 136.0124 140.0 153.0941 160.0 175.0386 140.0 198.0588 110.0 237.1458 130.0 238.0649 210.0 253.044 510.0 254.0594 740.0 255.0613 230.0 269.0419 390.0 309.1701 160.0 349.1771 100.0 388.0917 130.0 407.1976 150.0 473.103 230.0 474.1 150.0 475.0786 110.0 482.1659 210.0 489.096 350.0 490.1025 6300.0 490.2552 170.0 490.3041 240.0 491.1035 1500.0 491.2093 110.0 491.3093 160.0 492.1133 710.0 492.6351 130.0 497.13 120.0 508.1092 1300.0 509.1117 240.0 510.1058 240.0 521.1703 130.0 525.207 100.0 531.1585 110.0 641.1595 1000.0 641.2553 330.0 641.3929 200.0 642.1645 550.0 642.3901 210.0 642.5579 100.0 643.3403 180.0 644.3588 230.0 685.2402 120.0 END IONS BEGIN IONS SCANS=11263 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11264 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11265 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11266 PEPMASS=239.1276 CHARGE=-1 COLLISION_ENERGY=0.0 67.0545 240.0 95.0491 290.0 97.0654 220.0 97.9302 130.0 139.0394 230.0 140.0451 130.0 149.0613 140.0 442.4569 110.0 END IONS BEGIN IONS SCANS=11267 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11268 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11269 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11270 PEPMASS=0.0 CHARGE=1 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IONS SCANS=11284 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11285 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11286 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11287 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11288 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11289 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11290 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11291 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11292 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11293 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11294 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11295 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11296 PEPMASS=339.1815 CHARGE=-1 COLLISION_ENERGY=0.0 82.0802 120.0 96.0253 110.0 96.9631 140.0 98.921 100.0 100.9259 140.0 119.0811 120.0 119.2769 110.0 121.0269 150.0 121.1021 140.0 125.095 160.0 133.1106 130.0 141.9158 140.0 143.6068 140.0 151.112 170.0 152.0791 180.0 155.0254 120.0 165.0898 570.0 167.0714 170.0 172.096 190.0 179.1008 260.0 183.0036 260.0 183.1379 280.0 184.0111 130.0 193.1121 110.0 207.0934 190.0 343.1455 100.0 END IONS BEGIN IONS SCANS=11297 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11298 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11299 PEPMASS=323.2211 CHARGE=-1 COLLISION_ENERGY=0.0 71.4472 110.0 79.3308 270.0 99.0798 200.0 103.0403 150.0 106.0404 130.0 107.0859 150.0 143.1095 120.0 152.9743 120.0 171.1017 160.0 175.1567 120.0 183.1171 210.0 183.1646 110.0 185.13 150.0 187.089 140.0 205.1152 170.0 221.1541 310.0 232.1766 170.0 269.2325 100.0 273.1869 150.0 289.1794 140.0 291.1939 190.0 294.4229 110.0 305.2098 140.0 306.211 130.0 308.1977 150.0 325.1797 140.0 352.3578 110.0 792.4817 180.0 816.2252 160.0 END IONS BEGIN IONS SCANS=11300 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11301 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11302 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11303 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11304 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11305 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11306 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11307 PEPMASS=360.2738 CHARGE=-1 COLLISION_ENERGY=0.0 148.0381 110.0 171.0953 190.0 236.097 460.0 245.1964 130.0 279.116 260.0 463.1256 260.0 END IONS BEGIN IONS SCANS=11308 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11309 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11310 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11311 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11312 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11313 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11314 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11315 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11316 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11317 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11318 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11319 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11320 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11321 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11322 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11323 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11324 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11325 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11326 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11327 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11328 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11329 PEPMASS=562.3138 CHARGE=-1 COLLISION_ENERGY=0.0 78.9667 120.0 97.0632 120.0 100.8878 110.0 156.8919 180.0 161.0316 170.0 164.0684 130.0 174.0261 100.0 187.5027 110.0 239.2035 150.0 247.1607 260.0 261.1493 110.0 277.2148 3000.0 277.2962 160.0 278.2243 710.0 279.0741 120.0 297.2367 100.0 300.0852 100.0 327.2866 100.0 383.3177 130.0 441.2883 140.0 458.9661 120.0 462.1196 180.0 490.2152 130.0 502.2964 460.0 503.2715 160.0 519.1022 140.0 520.1435 100.0 526.3061 130.0 528.285 150.0 563.3187 110.0 563.3604 220.0 564.1721 130.0 564.279 200.0 565.1072 150.0 565.2669 180.0 796.5755 120.0 END IONS BEGIN IONS SCANS=11330 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11331 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11332 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11333 PEPMASS=641.1654 CHARGE=-1 COLLISION_ENERGY=0.0 85.0289 110.0 87.0423 130.0 101.0226 120.0 137.0937 130.0 161.022 110.0 178.0199 180.0 191.0658 110.0 237.0101 110.0 241.0103 120.0 253.041 180.0 253.0466 1200.0 253.106 200.0 254.0517 1500.0 254.1574 120.0 255.0576 580.0 256.0594 150.0 269.0442 340.0 270.043 180.0 299.0647 100.0 339.1491 110.0 367.2435 110.0 389.4391 150.0 429.5099 180.0 462.1033 260.0 463.1826 190.0 472.0864 360.0 472.155 140.0 473.1101 250.0 474.1026 430.0 475.0811 300.0 483.9658 120.0 485.8766 150.0 489.0949 1700.0 489.2975 100.0 489.957 110.0 490.1047 10000.0 490.3038 210.0 490.4194 110.0 491.1081 3800.0 491.1987 180.0 491.2459 190.0 491.3319 140.0 491.7569 100.0 492.1118 930.0 493.1162 160.0 507.1122 140.0 508.1129 1500.0 508.1785 130.0 508.2157 120.0 509.1152 810.0 510.1192 410.0 511.1301 120.0 514.4031 160.0 538.7498 170.0 641.1629 2000.0 641.3394 190.0 641.3657 270.0 642.1686 940.0 642.3064 330.0 642.4678 200.0 642.7126 120.0 643.1704 450.0 643.3099 320.0 643.3811 120.0 644.1643 140.0 644.3985 210.0 668.7794 150.0 744.9606 160.0 END IONS BEGIN IONS SCANS=11334 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11335 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11336 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11337 PEPMASS=722.3669 CHARGE=-1 COLLISION_ENERGY=0.0 71.0163 280.0 87.0495 240.0 89.026 1000.0 98.7228 100.0 99.0069 160.0 101.0278 320.0 113.0202 490.0 114.0277 130.0 119.0333 380.0 120.0376 150.0 138.0938 130.0 143.0313 220.0 149.0382 100.0 179.0582 100.0 199.0544 180.0 217.0697 100.0 235.0815 570.0 236.0772 130.0 277.2161 1700.0 278.2171 1400.0 281.0316 120.0 330.0603 170.0 370.254 170.0 397.1212 120.0 398.1418 610.0 399.1263 170.0 416.1541 190.0 END IONS BEGIN IONS SCANS=11338 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11339 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11340 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11341 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11342 PEPMASS=675.3586 CHARGE=-1 COLLISION_ENERGY=0.0 71.0137 430.0 74.0337 120.0 80.9621 270.0 80.9969 100.0 85.0292 240.0 89.0231 1300.0 89.0854 110.0 90.0265 210.0 95.0131 200.0 101.0236 740.0 111.0431 180.0 113.0229 720.0 115.0438 140.0 119.0402 140.0 124.0093 160.0 125.0219 140.0 130.8026 120.0 139.039 110.0 143.0381 280.0 161.0417 180.0 166.0218 100.0 179.0544 120.0 189.0334 110.0 193.0688 190.0 235.0838 120.0 253.1297 200.0 263.079 130.0 275.3017 110.0 277.2159 1900.0 277.3674 140.0 278.2194 470.0 279.2272 310.0 415.1368 120.0 416.1452 170.0 497.1083 110.0 END IONS BEGIN IONS SCANS=11343 PEPMASS=711.3351 CHARGE=-1 COLLISION_ENERGY=0.0 113.0325 200.0 119.036 290.0 139.1131 150.0 145.0254 120.0 190.0651 100.0 259.2166 100.0 277.2115 490.0 397.1373 200.0 END 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11401 PEPMASS=677.1413 CHARGE=-1 COLLISION_ENERGY=0.0 78.9578 210.0 87.006 110.0 113.0976 280.0 114.9872 150.0 125.0261 140.0 149.094 170.0 159.0382 130.0 213.4652 120.0 241.0193 120.0 248.0687 110.0 253.051 290.0 254.0538 720.0 269.0478 140.0 277.2033 210.0 278.2223 130.0 347.4823 100.0 408.3771 130.0 435.2344 150.0 472.0767 130.0 473.1221 240.0 486.3386 100.0 489.1041 310.0 490.102 6500.0 491.1112 1600.0 491.2067 240.0 491.2999 110.0 492.123 350.0 493.1065 140.0 493.2381 130.0 508.1135 430.0 509.1108 200.0 512.2852 150.0 514.1723 190.0 END IONS BEGIN IONS SCANS=11402 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11403 PEPMASS=323.2215 CHARGE=-1 COLLISION_ENERGY=0.0 71.0488 270.0 130.4811 120.0 149.0973 120.0 150.097 140.0 192.9907 120.0 END IONS BEGIN IONS SCANS=11404 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11405 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11415 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11416 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11417 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11418 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11419 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11420 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11421 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11422 PEPMASS=323.1865 CHARGE=-1 COLLISION_ENERGY=0.0 80.0223 180.0 83.0172 160.0 95.0102 220.0 96.9644 210.0 104.9577 220.0 136.0893 180.0 147.0764 140.0 149.0917 190.0 152.0822 750.0 153.0905 310.0 162.1034 210.0 175.078 860.0 175.1143 110.0 176.0789 310.0 183.0069 330.0 190.0917 120.0 193.087 170.0 193.1559 220.0 207.1284 110.0 209.1505 240.0 210.1581 200.0 464.9103 150.0 END IONS BEGIN IONS SCANS=11423 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323.0919 140.0 341.0981 110.0 397.0955 180.0 400.7436 260.0 445.414 110.0 563.1604 140.0 566.0678 100.0 637.1625 110.0 639.2347 160.0 641.1638 160.0 655.4494 240.0 656.4179 110.0 657.3646 100.0 664.295 220.0 664.3939 160.0 669.201 270.0 692.381 120.0 699.3969 2500.0 699.5515 230.0 699.6385 150.0 699.7104 100.0 700.0099 100.0 700.4016 1700.0 700.5303 180.0 700.6253 150.0 701.4049 680.0 701.4973 210.0 701.6479 110.0 702.416 210.0 703.3617 120.0 763.9303 140.0 END IONS BEGIN IONS SCANS=11435 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11436 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11437 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11438 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11439 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11440 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11441 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11442 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11443 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11444 PEPMASS=552.2857 CHARGE=-1 COLLISION_ENERGY=0.0 78.959 400.0 81.0249 120.0 85.0272 120.0 87.0436 120.0 97.0316 140.0 135.0381 110.0 164.0395 160.0 168.0411 250.0 205.1951 120.0 208.1431 130.0 224.0756 160.0 225.0736 110.0 233.229 170.0 253.0385 170.0 265.1854 130.0 276.2092 120.0 276.2794 120.0 277.2148 3700.0 278.2203 950.0 375.0559 130.0 376.0577 100.0 END IONS BEGIN IONS SCANS=11445 PEPMASS=562.3139 CHARGE=-1 COLLISION_ENERGY=0.0 78.9573 940.0 78.9625 920.0 83.0508 110.0 96.9689 150.0 119.0623 140.0 152.9952 490.0 153.997 210.0 168.036 670.0 168.0482 230.0 217.15 260.0 224.0652 1100.0 224.0732 890.0 224.1329 180.0 224.1694 100.0 225.0649 280.0 235.0887 180.0 242.0667 200.0 242.0752 220.0 275.2031 210.0 277.2159 15000.0 277.3238 270.0 277.3597 190.0 277.3893 170.0 277.4089 110.0 277.9323 120.0 278.2195 2600.0 278.2265 510.0 278.2943 110.0 279.2138 160.0 279.2242 260.0 326.0585 120.0 343.2641 180.0 353.0823 150.0 392.3745 260.0 395.8012 130.0 403.0484 150.0 471.316 120.0 502.29 6200.0 503.2932 1900.0 503.6239 100.0 504.2968 430.0 504.3588 110.0 535.1072 130.0 562.3552 160.0 563.3352 130.0 END IONS BEGIN IONS SCANS=11446 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11447 PEPMASS=132.9226 CHARGE=-1 COLLISION_ENERGY=0.0 99.9242 130.0 100.9326 1200.0 100.9843 100.0 101.9358 190.0 115.9226 380.0 117.9204 120.0 134.8849 140.0 571.3794 130.0 END IONS BEGIN IONS SCANS=11448 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11449 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11450 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11451 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11452 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11453 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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100.0 641.3288 150.0 704.2611 130.0 923.6202 100.0 END IONS BEGIN IONS SCANS=11462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11466 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11479 PEPMASS=293.1752 CHARGE=-1 COLLISION_ENERGY=0.0 96.9607 160.0 114.9938 170.0 136.0936 100.0 142.9222 130.0 151.1113 120.0 192.118 360.0 193.1582 380.0 193.1927 100.0 194.1651 160.0 215.0713 240.0 220.1452 980.0 221.1535 1300.0 221.2191 110.0 221.2471 100.0 221.5634 160.0 222.1577 520.0 236.1045 800.0 239.1308 120.0 249.1861 130.0 250.1883 160.0 251.2041 250.0 267.0696 130.0 293.1753 290.0 294.1836 510.0 294.2406 110.0 295.1981 260.0 END IONS BEGIN IONS SCANS=11480 PEPMASS=361.1649 CHARGE=-1 COLLISION_ENERGY=0.0 92.9244 120.0 96.9601 160.0 137.0241 160.0 157.0365 130.0 164.9264 160.0 165.0869 120.0 178.061 200.0 193.1557 630.0 193.1905 270.0 194.1692 170.0 209.0786 180.0 220.1444 150.0 221.0734 110.0 221.1533 340.0 221.1936 110.0 222.1611 130.0 229.1363 130.0 236.1034 750.0 237.1029 260.0 248.0618 240.0 249.1841 510.0 268.9975 170.0 293.1768 680.0 294.1809 230.0 307.1249 120.0 307.2039 120.0 362.0806 110.0 429.6512 140.0 END IONS BEGIN IONS SCANS=11481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11489 PEPMASS=313.2376 CHARGE=-1 COLLISION_ENERGY=0.0 97.069 140.0 99.082 350.0 187.0707 100.0 704.1118 130.0 741.7911 110.0 END IONS BEGIN IONS SCANS=11490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11496 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11499 PEPMASS=309.2057 CHARGE=-1 COLLISION_ENERGY=0.0 86.9784 130.0 96.9589 210.0 183.0109 140.0 197.9879 140.0 332.3734 120.0 END IONS BEGIN IONS SCANS=11500 PEPMASS=345.1833 CHARGE=-1 COLLISION_ENERGY=0.0 223.1659 120.0 298.0574 170.0 553.9548 110.0 END IONS BEGIN IONS SCANS=11501 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11502 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11503 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11504 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11505 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11506 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11507 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11508 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11509 PEPMASS=641.1658 CHARGE=-1 COLLISION_ENERGY=0.0 241.2175 220.0 253.0447 170.0 263.1945 190.0 385.2153 120.0 417.1439 160.0 472.085 180.0 482.0142 180.0 490.0985 960.0 491.1106 920.0 491.1793 120.0 508.1145 500.0 509.1066 170.0 582.2353 210.0 641.1548 650.0 641.4087 280.0 642.1683 410.0 642.3045 130.0 642.4133 280.0 643.2096 130.0 643.4062 320.0 643.5333 130.0 644.2677 150.0 644.401 180.0 END IONS BEGIN IONS SCANS=11510 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11511 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11512 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11513 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11514 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11515 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11516 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11517 PEPMASS=311.2221 CHARGE=-1 COLLISION_ENERGY=0.0 87.045 100.0 101.9287 120.0 115.0766 100.0 127.1097 170.0 129.0915 1100.0 137.0917 260.0 141.0529 280.0 141.0925 170.0 141.1189 130.0 155.1083 180.0 169.1186 170.0 171.0991 420.0 172.1021 110.0 174.9565 320.0 183.135 2000.0 184.145 160.0 184.1805 130.0 194.1354 130.0 201.1126 640.0 201.1692 100.0 202.1167 300.0 209.1565 120.0 223.1608 230.0 231.2024 130.0 249.2018 110.0 253.2162 120.0 257.1687 120.0 275.1979 490.0 277.2161 410.0 293.2214 130.0 294.2188 270.0 295.2292 470.0 296.2321 270.0 311.2176 670.0 312.2173 330.0 313.2378 2300.0 313.3802 110.0 314.2422 750.0 315.22 190.0 608.227 130.0 954.0148 130.0 END IONS BEGIN IONS SCANS=11518 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11519 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11520 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11521 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11522 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11523 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11524 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11525 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11526 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11527 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11528 PEPMASS=0.0 CHARGE=1 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397.1342 330.0 397.4762 130.0 398.1388 110.0 412.097 130.0 415.1404 150.0 444.2834 170.0 491.096 140.0 541.1649 140.0 559.1891 370.0 560.1918 250.0 566.2111 190.0 577.1837 380.0 598.2297 110.0 601.4014 180.0 669.3575 100.0 END IONS BEGIN IONS SCANS=11536 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11537 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11538 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11539 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11540 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11541 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11542 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11543 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11544 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11545 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11546 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11547 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11548 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11549 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11550 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11551 PEPMASS=538.3127 CHARGE=-1 COLLISION_ENERGY=0.0 78.9549 170.0 80.9556 160.0 98.0377 150.0 99.0429 160.0 116.9202 100.0 224.0676 220.0 225.0667 120.0 253.2151 2400.0 253.326 160.0 254.2179 540.0 257.2215 120.0 314.1949 120.0 374.0237 140.0 391.1487 170.0 471.3469 190.0 472.3347 240.0 541.2164 110.0 691.2268 160.0 END IONS BEGIN IONS SCANS=11552 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11553 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11554 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11555 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11556 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11557 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11558 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11559 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11560 PEPMASS=440.301 CHARGE=-1 COLLISION_ENERGY=0.0 96.048 140.0 99.0067 110.0 111.0792 150.0 126.0599 170.0 141.0416 220.0 144.0695 710.0 145.0645 230.0 156.0654 220.0 168.0665 130.0 186.0757 980.0 186.2028 110.0 198.0733 250.0 241.1866 110.0 253.2207 140.0 265.2081 440.0 362.267 260.0 379.1854 130.0 397.1828 470.0 399.233 130.0 410.3016 110.0 422.2996 160.0 423.3072 210.0 440.0522 140.0 440.1353 230.0 440.3035 2400.0 440.3947 260.0 441.3136 480.0 442.293 250.0 443.3167 130.0 END IONS BEGIN IONS SCANS=11561 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11562 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11563 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11564 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11565 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11566 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11567 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11568 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11569 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11570 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11571 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11572 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11573 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11574 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11575 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11576 PEPMASS=313.2373 CHARGE=-1 COLLISION_ENERGY=0.0 75.0073 250.0 127.1102 130.0 157.1164 130.0 171.0985 210.0 172.2233 110.0 183.1329 120.0 201.111 1600.0 202.115 160.0 203.1149 350.0 255.2255 120.0 269.0373 190.0 278.2196 150.0 313.1552 100.0 313.2309 380.0 313.2697 200.0 314.2334 230.0 315.2415 160.0 510.9768 120.0 END IONS BEGIN IONS SCANS=11577 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11578 PEPMASS=381.2253 CHARGE=-1 COLLISION_ENERGY=0.0 89.022 200.0 125.0951 140.0 126.0637 220.0 127.1113 150.0 144.1012 170.0 147.0822 130.0 155.1179 200.0 156.1096 120.0 164.0717 150.0 171.1014 170.0 179.1071 180.0 184.1056 120.0 193.0828 560.0 195.0974 130.0 196.1048 130.0 201.1119 1000.0 202.1165 230.0 203.0986 100.0 223.0745 160.0 236.4276 120.0 277.2116 210.0 311.2247 140.0 313.2426 210.0 314.242 110.0 END IONS BEGIN IONS SCANS=11579 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11580 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11581 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11582 PEPMASS=638.3294 CHARGE=-1 COLLISION_ENERGY=0.0 171.0984 240.0 191.0916 150.0 196.0291 110.0 222.0772 150.0 228.2625 150.0 242.0963 120.0 268.0514 160.0 279.1479 190.0 279.2352 720.0 280.2386 320.0 329.2343 180.0 476.2731 1000.0 477.2893 380.0 478.2468 120.0 518.2877 340.0 525.3259 110.0 638.323 1900.0 638.4307 400.0 639.3316 1100.0 639.4446 320.0 639.5236 160.0 640.3275 110.0 641.2503 310.0 END IONS BEGIN IONS SCANS=11583 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11584 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11585 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11586 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11587 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11588 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11589 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11590 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11591 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11592 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11593 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11594 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11595 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11596 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11597 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11598 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11599 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11600 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11601 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11602 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11603 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11604 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11605 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11606 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11607 PEPMASS=477.2848 CHARGE=-1 COLLISION_ENERGY=0.0 85.0277 220.0 85.0627 150.0 85.0702 110.0 117.0336 1000.0 117.0631 120.0 117.1366 110.0 118.0012 120.0 118.0358 420.0 118.0447 280.0 119.0518 1800.0 127.0285 170.0 131.0677 1500.0 132.0566 260.0 140.1145 120.0 145.0294 21000.0 145.1412 170.0 145.3868 170.0 146.0325 2600.0 147.0322 350.0 147.039 270.0 156.9239 130.0 160.9326 210.0 163.0398 1400.0 164.02 150.0 164.0399 200.0 164.1066 130.0 167.1122 150.0 169.0415 160.0 178.0515 150.0 203.0358 140.0 217.159 170.0 254.2076 100.0 256.2267 110.0 311.214 110.0 313.2241 160.0 313.242 180.0 329.2283 210.0 331.2433 1600.0 331.2522 1300.0 331.326 150.0 332.2512 210.0 332.2639 260.0 332.2914 120.0 374.321 200.0 377.2779 100.0 386.2872 120.0 391.3242 130.0 393.2454 130.0 418.1523 280.0 444.2943 120.0 460.2614 120.0 477.2803 2800.0 477.2899 4200.0 477.3508 120.0 477.3975 210.0 477.4722 380.0 477.5748 130.0 477.6945 120.0 478.1849 110.0 478.2946 2100.0 478.4173 150.0 478.5051 110.0 479.274 750.0 479.2954 680.0 479.4089 370.0 480.284 650.0 480.9613 100.0 END IONS BEGIN IONS SCANS=11608 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11609 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11610 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11611 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11612 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11613 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11614 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11615 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11616 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11617 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11618 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11619 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11620 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11621 PEPMASS=295.1914 CHARGE=-1 COLLISION_ENERGY=0.0 114.9976 130.0 136.9082 180.0 155.1071 190.0 171.1144 130.0 232.8282 120.0 235.1682 110.0 238.1054 120.0 251.1994 1100.0 252.2068 390.0 252.2846 100.0 277.2067 190.0 295.1903 290.0 295.2431 120.0 296.1841 120.0 297.2433 110.0 536.2331 140.0 END IONS BEGIN IONS SCANS=11622 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11623 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11624 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11625 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11626 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11627 PEPMASS=271.1907 CHARGE=-1 COLLISION_ENERGY=0.0 157.0844 110.0 181.1531 120.0 193.0508 210.0 209.1924 870.0 210.1952 320.0 253.1779 1200.0 254.1821 170.0 271.2004 210.0 272.0927 110.0 END IONS BEGIN IONS SCANS=11628 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11629 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11630 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11631 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11632 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11633 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11634 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11635 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11636 PEPMASS=557.2975 CHARGE=-1 COLLISION_ENERGY=0.0 85.0288 200.0 89.0253 140.0 91.054 240.0 101.9344 100.0 157.0076 140.0 161.1316 120.0 177.1576 180.0 179.0478 140.0 181.0638 260.0 218.1011 200.0 275.2021 350.0 276.1987 320.0 286.1242 120.0 294.1399 150.0 311.1548 130.0 352.1915 120.0 458.1772 130.0 END IONS BEGIN IONS SCANS=11637 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11638 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11639 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11640 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11641 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11642 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11643 PEPMASS=313.2375 CHARGE=-1 COLLISION_ENERGY=0.0 97.0492 110.0 171.0966 160.0 END IONS BEGIN IONS SCANS=11644 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11645 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11646 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11647 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11648 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119.0273 120.0 125.0222 120.0 133.0429 190.0 143.0357 260.0 143.0905 100.0 176.8836 110.0 221.0587 110.0 235.0803 260.0 245.0184 170.0 249.1504 120.0 279.2307 1900.0 280.2349 360.0 286.1215 110.0 383.138 110.0 397.1276 560.0 398.1312 150.0 415.1422 180.0 723.3789 150.0 END IONS BEGIN IONS SCANS=11697 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11698 PEPMASS=194.0814 CHARGE=-1 COLLISION_ENERGY=0.0 99.9252 110.0 109.0139 180.0 137.8217 120.0 END IONS BEGIN IONS SCANS=11699 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11700 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11701 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11702 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11703 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11704 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11705 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11706 PEPMASS=647.3284 CHARGE=-1 COLLISION_ENERGY=0.0 72.0201 180.0 89.0257 180.0 119.034 190.0 124.0354 100.0 187.1118 110.0 277.2211 580.0 277.8803 110.0 281.2277 220.0 307.077 190.0 311.208 170.0 323.0967 320.0 341.1089 620.0 371.1536 100.0 445.3015 210.0 508.09 100.0 581.2494 110.0 601.3163 500.0 602.3255 270.0 603.3389 180.0 647.3596 200.0 647.4324 170.0 648.2555 120.0 649.3671 240.0 649.4116 120.0 650.3508 150.0 650.45 150.0 651.2761 220.0 651.369 140.0 870.9927 120.0 END IONS BEGIN IONS SCANS=11707 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11708 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11709 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11710 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11711 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11712 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11713 PEPMASS=0.0 CHARGE=1 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190.0 199.131 270.0 205.1927 320.0 211.1312 250.0 212.1404 120.0 223.2064 220.0 224.207 160.0 250.2089 120.0 258.7283 130.0 267.1895 130.0 267.2289 130.0 269.0428 160.0 277.2156 930.0 278.222 130.0 279.2063 110.0 293.1986 130.0 295.2255 1300.0 295.3033 110.0 296.2356 210.0 311.2135 830.0 312.0576 120.0 312.2256 210.0 313.2364 4000.0 313.3884 160.0 314.2387 1100.0 314.2937 350.0 315.237 200.0 END IONS BEGIN IONS SCANS=11721 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11722 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11723 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11724 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11725 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11726 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11727 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11728 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS 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SCANS=11740 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11741 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11742 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11743 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11744 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11745 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11746 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11747 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11748 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11749 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11750 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11751 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11752 PEPMASS=699.3815 CHARGE=-1 COLLISION_ENERGY=0.0 71.0129 200.0 81.033 140.0 89.0243 270.0 96.0066 100.0 102.0267 260.0 112.9858 320.0 113.9911 110.0 198.1104 120.0 255.2315 390.0 256.2311 160.0 289.1353 160.0 324.211 180.0 375.1304 110.0 397.1369 1300.0 398.1424 260.0 415.1429 460.0 416.1552 290.0 505.1684 100.0 653.371 580.0 654.3775 350.0 654.9467 120.0 663.3731 210.0 699.3884 240.0 699.4511 110.0 701.2186 170.0 701.3893 150.0 END IONS BEGIN IONS SCANS=11753 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11754 PEPMASS=308.222 CHARGE=-1 COLLISION_ENERGY=0.0 71.0487 130.0 100.0854 140.0 130.9663 200.0 139.1141 190.0 166.118 180.0 171.1005 240.0 174.9523 370.0 179.1431 360.0 181.1246 280.0 205.1532 190.0 211.1468 130.0 223.2062 150.0 235.1631 160.0 247.2075 170.0 267.2396 120.0 290.2081 150.0 291.1974 250.0 308.218 460.0 309.206 420.0 311.1669 140.0 311.2262 290.0 END IONS BEGIN IONS SCANS=11755 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11756 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11757 PEPMASS=0.0 CHARGE=1 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IONS SCANS=11771 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11772 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11773 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11774 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11775 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11776 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11777 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11778 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11779 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11780 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11781 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11782 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11783 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11784 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11785 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11786 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11787 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11788 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11789 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11790 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11791 PEPMASS=449.2311 CHARGE=-1 COLLISION_ENERGY=0.0 93.0387 120.0 95.7362 110.0 112.9829 120.0 117.0339 220.0 121.0657 260.0 179.0237 110.0 192.0507 280.0 209.0274 100.0 239.1947 130.0 242.0483 150.0 END IONS BEGIN IONS SCANS=11792 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11793 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11794 PEPMASS=385.2581 CHARGE=-1 COLLISION_ENERGY=0.0 91.0377 210.0 249.2211 1100.0 250.2258 150.0 293.2073 1300.0 293.2856 120.0 294.2175 240.0 300.0591 160.0 311.2204 2100.0 312.2251 730.0 349.2328 120.0 355.1903 100.0 385.0486 180.0 385.2527 290.0 386.2579 100.0 387.3158 120.0 END IONS BEGIN IONS SCANS=11795 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11796 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11797 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11798 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11799 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11800 PEPMASS=291.1957 CHARGE=-1 COLLISION_ENERGY=0.0 96.9595 210.0 148.049 180.0 192.1132 270.0 205.1239 190.0 220.1445 280.0 221.1576 300.0 END IONS BEGIN IONS SCANS=11801 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11802 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11803 PEPMASS=323.1856 CHARGE=-1 COLLISION_ENERGY=0.0 80.0256 140.0 81.0703 110.0 97.032 460.0 97.0633 280.0 122.0361 110.0 135.0435 130.0 136.0541 150.0 137.0604 1700.0 138.0629 140.0 139.0628 270.0 151.1057 270.0 152.0822 1200.0 153.0929 460.0 164.0801 160.0 165.0586 270.0 166.1577 110.0 175.0794 390.0 177.013 250.0 177.0575 120.0 179.0758 230.0 183.0086 140.0 190.1055 160.0 192.0784 170.0 193.1101 160.0 207.0999 100.0 209.1659 100.0 219.0668 250.0 235.0917 110.0 251.0857 330.0 322.9778 110.0 END IONS BEGIN IONS SCANS=11804 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11805 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11806 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11807 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11808 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11809 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11810 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11811 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11812 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504.2976 270.0 514.2368 130.0 547.2924 120.0 575.3803 140.0 632.4231 110.0 633.1971 160.0 633.375 200.0 633.4171 170.0 634.3824 170.0 634.5737 150.0 635.33 270.0 635.3878 140.0 635.4074 190.0 636.2967 100.0 665.7266 300.0 END IONS BEGIN IONS SCANS=11830 PEPMASS=564.3299 CHARGE=-1 COLLISION_ENERGY=0.0 78.9582 390.0 152.9896 380.0 168.0421 140.0 224.0698 280.0 225.0764 170.0 242.0805 430.0 279.2342 4000.0 280.2407 640.0 281.2291 170.0 END IONS BEGIN IONS SCANS=11831 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11832 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11833 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11834 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11835 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11836 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11837 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11838 PEPMASS=0.0 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IONS SCANS=11878 PEPMASS=559.3121 CHARGE=-1 COLLISION_ENERGY=0.0 61.9873 200.0 89.035 110.0 253.0911 450.0 253.1332 100.0 254.0935 130.0 265.1267 130.0 277.2168 3700.0 277.3152 160.0 277.3639 160.0 278.2094 210.0 278.2182 280.0 279.1184 120.0 279.1516 180.0 375.138 200.0 385.2541 100.0 390.1096 130.0 459.3189 180.0 474.5542 110.0 480.2128 190.0 492.3404 100.0 493.2433 130.0 515.3829 140.0 521.256 210.0 537.9893 170.0 541.3871 110.0 559.318 240.0 559.3562 110.0 560.3043 220.0 560.3445 290.0 561.3205 220.0 674.1252 140.0 END IONS BEGIN IONS SCANS=11879 PEPMASS=273.1501 CHARGE=-1 COLLISION_ENERGY=0.0 106.0402 740.0 107.0452 700.0 150.0391 210.0 161.101 160.0 205.0796 140.0 229.1616 840.0 229.2054 210.0 230.1578 160.0 286.6939 110.0 END IONS BEGIN IONS SCANS=11880 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11881 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11882 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11883 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PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11909 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11910 PEPMASS=614.3307 CHARGE=-1 COLLISION_ENERGY=0.0 72.9938 260.0 78.9596 1000.0 88.9893 200.0 92.9238 100.0 152.9933 1600.0 171.0334 150.0 179.039 260.0 181.1523 100.0 194.0484 200.0 195.9589 110.0 196.0373 1400.0 196.0998 130.0 197.0455 130.0 208.0533 140.0 249.0603 190.0 255.2331 13000.0 256.2365 2700.0 256.3388 120.0 256.3833 110.0 257.2407 150.0 257.3748 110.0 267.1281 100.0 268.0507 150.0 268.0631 170.0 281.0543 110.0 303.2125 140.0 323.1379 210.0 369.2744 110.0 374.944 140.0 389.2721 170.0 452.2761 1500.0 453.2735 350.0 454.2859 150.0 494.2831 240.0 500.1031 120.0 527.1268 110.0 END IONS BEGIN IONS SCANS=11911 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11912 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11913 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11914 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220.0 249.0533 230.0 249.0971 120.0 279.2129 130.0 280.2357 120.0 297.2396 760.0 298.2578 230.0 299.2522 190.0 371.0649 150.0 392.1131 170.0 548.3221 220.0 990.7837 290.0 END IONS BEGIN IONS SCANS=11939 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11940 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11941 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11942 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11943 PEPMASS=845.4506 CHARGE=-1 COLLISION_ENERGY=0.0 89.0247 390.0 125.0167 140.0 125.0974 350.0 143.0352 120.0 156.9831 110.0 169.0856 400.0 169.1278 170.0 179.0565 350.0 185.041 130.0 187.0961 2000.0 187.1549 210.0 187.1932 120.0 188.0978 250.0 212.957 110.0 215.1665 110.0 221.0662 180.0 277.2222 310.0 338.0321 120.0 359.1229 130.0 395.1511 240.0 397.15 140.0 415.1446 110.0 567.2309 230.0 585.2437 690.0 586.2357 430.0 587.2441 140.0 654.174 170.0 665.3681 110.0 764.223 110.0 845.3352 150.0 845.4581 1600.0 845.6511 110.0 845.7193 130.0 846.4582 690.0 846.552 210.0 847.4533 240.0 848.1433 110.0 848.3314 160.0 848.418 240.0 END IONS BEGIN IONS SCANS=11944 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11945 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11946 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11947 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11948 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11949 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11950 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11951 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11952 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11953 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11954 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=11955 PEPMASS=0.0 CHARGE=1 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COLLISION_ENERGY=0.0 71.0142 620.0 71.0308 130.0 72.9926 100.0 73.0263 140.0 79.0143 130.0 81.0373 220.0 87.012 110.0 89.025 1700.0 90.0235 120.0 97.0292 400.0 101.0255 950.0 102.0289 160.0 113.026 230.0 119.0345 920.0 119.0642 180.0 121.0303 180.0 125.0216 300.0 143.0276 140.0 149.026 120.0 161.0428 190.0 161.4882 130.0 179.0519 430.0 221.0659 170.0 225.0516 110.0 235.0787 130.0 236.073 130.0 251.1493 140.0 254.0886 150.0 277.2136 150.0 283.2643 4900.0 283.4041 120.0 283.4161 140.0 284.2667 680.0 284.9502 120.0 285.2689 130.0 287.219 170.0 333.2169 140.0 381.2528 260.0 394.3661 160.0 397.1354 1000.0 403.1769 110.0 415.1438 430.0 439.3181 100.0 448.2917 140.0 452.346 100.0 549.2931 140.0 576.3878 150.0 588.2363 100.0 694.6487 100.0 729.4525 140.0 729.526 140.0 764.0449 100.0 END IONS BEGIN IONS SCANS=13462 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13463 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13464 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13465 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13466 PEPMASS=479.2798 CHARGE=-1 COLLISION_ENERGY=0.0 78.9594 260.0 123.1109 120.0 143.0718 100.0 168.984 110.0 179.9107 100.0 209.0031 130.0 210.1737 120.0 218.1301 100.0 225.2387 130.0 277.1727 210.0 332.9978 110.0 337.2336 170.0 368.1343 230.0 413.3185 230.0 423.2645 270.0 451.2346 240.0 451.2825 170.0 479.2798 3500.0 479.5092 130.0 479.6655 120.0 480.2839 990.0 480.3524 200.0 480.9817 340.0 481.2112 140.0 481.2867 190.0 482.2987 140.0 END IONS BEGIN IONS SCANS=13467 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13468 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13469 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13470 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13471 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13472 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13473 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13474 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13475 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13476 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13477 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13478 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13479 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13480 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13481 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13482 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13483 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13484 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13485 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13486 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13487 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13488 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13489 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13490 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13491 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13492 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13493 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13494 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13495 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13496 PEPMASS=397.3329 CHARGE=-1 COLLISION_ENERGY=0.0 81.033 120.0 96.9678 100.0 153.0862 140.0 311.4979 120.0 335.3279 2600.0 335.3836 140.0 336.314 110.0 336.337 210.0 351.3676 180.0 379.3157 1200.0 380.3271 360.0 397.3309 4000.0 398.054 210.0 398.3357 1100.0 399.3334 210.0 END IONS BEGIN IONS SCANS=13497 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13498 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13499 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=13500 PEPMASS=570.5102 CHARGE=-1 COLLISION_ENERGY=0.0 60.046 290.0 72.0425 130.0 76.2812 150.0 83.0158 110.0 88.0386 390.0 95.0449 100.0 161.0256 110.0 223.1996 100.0 225.2227 1200.0 225.2824 110.0 226.2241 370.0 241.2117 180.0 255.2313 430.0 262.1077 110.0 266.243 250.0 267.2265 130.0 268.2392 160.0 270.2414 150.0 271.2327 540.0 272.2411 160.0 278.2628 100.0 279.7198 110.0 293.282 100.0 314.2665 140.0 326.2633 230.0 335.4473 160.0 355.0807 100.0 386.2173 170.0 455.0343 250.0 552.5229 110.0 553.3099 180.0 570.5074 110.0 END IONS BEGIN IONS SCANS=13501 PEPMASS=606.4865 CHARGE=-1 COLLISION_ENERGY=0.0 112.989 140.0 139.1095 130.0 199.08 130.0 225.2216 160.0 226.2215 130.0 293.2025 110.0 314.258 130.0 326.2699 360.0 327.258 180.0 371.0526 120.0 570.5097 340.0 609.2554 130.0 END IONS nf_output/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf.tsv0000644000000000000000000000000114704537053017204 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf.tsv0000644000000000000000000000000114704537051020257 0ustar rootroot nf_output/library/0000755000000000000000000000000014704542644013255 5ustar rootrootnf_output/library/merged_results_with_gnps.tsv0000644000000000000000000106331314704542644021130 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 CCMSLIB00004692297 6668 spectra_filtered.mgf MONA.mgf 0.987005 188260.0 0 5619.98 10 2.01801 357.059 -1 temp/spectra_filtered.mgf6668 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00004719965 4536 spectra_filtered.mgf MONA.mgf 0.984834 977800.0 0 3314.15 13 2.0188 607.127 -1 temp/spectra_filtered.mgf4536 1 Rutin N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002161 [M-H]- 609.146 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 N/A 3 negative MONA 609.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 IKGXIBQEEMLURG-NVPNHPEKSA-N IKGXIBQEEMLURG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719965 CCMSLIB00012323714 6741 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.98129 207520.0 0 5621.34 7 2.01849 357.059 -1 temp/spectra_filtered.mgf6741 1 rosmarinic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 359.077 360.085 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 1 Negative MSNLIB-NEGATIVE 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012323714 CCMSLIB00005743645 5857 spectra_filtered.mgf MASSBANK.mgf 0.981095 63550.0 0 10.0524 5 0.00610352 607.161 -1 temp/spectra_filtered.mgf5857 1 Massbank:PR306260 Diosmetin-7-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 607.167 0.0 1 N/A N/A COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 N/A 3 Negative MASSBANK 607.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-UHFFFAOYSA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005743645 CCMSLIB00012323714 6768 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.970601 27340.0 0 4.75938 7 0.00170898 359.075 -1 temp/spectra_filtered.mgf6768 1 rosmarinic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 359.077 360.085 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 1 Negative MSNLIB-NEGATIVE 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012323714 CCMSLIB00004683912 3883 spectra_filtered.mgf SUMNER.mgf 0.968905 80330.0 0 55417.5 4 31.9847 609.145 -1 temp/spectra_filtered.mgf3883 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 577.16 0.0 1 17306-46-6 N/A C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 N/A 3 Negative SUMNER 577.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O14 RPMNUQRUHXIGHK-PYXJVEIZSA-N RPMNUQRUHXIGHK Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683912 CCMSLIB00012725749 818 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.968266 83340.0 0 510034.0 6 180.087 533.175 -1 temp/spectra_filtered.mgf818 1 Chlorogenic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 353.088 0.0 1 327-97-9 3 Negative GNPS-LIBRARY 353.088 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:CCMSLIB00012725749 CCMSLIB00005739286 7837 spectra_filtered.mgf MASSBANK.mgf 0.967491 15390.0 0 44539.7 7 15.9932 343.084 -1 temp/spectra_filtered.mgf7837 1 Massbank:PR305746 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739286 CCMSLIB00012253610 6530 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.965842 76600.0 0 100184.0 7 35.9739 395.051 -1 temp/spectra_filtered.mgf6530 1 rosmarinic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 359.077 360.085 1 N/A N/A O=C(C=Cc1cc(O)c(O)cc1)OC(Cc1cc(O)c(O)cc1)C(=O)O """InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1""" DOUMFZQKYFQNTF-WUTVXBCWSA-N 1 Positive PRIVATE-LIB 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012253610 CCMSLIB00005739286 6833 spectra_filtered.mgf MASSBANK.mgf 0.963967 37510.0 0 100187.0 10 35.9747 395.052 -1 temp/spectra_filtered.mgf6833 1 Massbank:PR305746 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739286 CCMSLIB00005749680 5457 spectra_filtered.mgf MASSBANK.mgf 0.963355 67540.0 0 30268.4 5 18.0148 577.152 -1 temp/spectra_filtered.mgf5457 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 595.167 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 N/A 3 Negative MASSBANK 595.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H32O15 OMQADRGFMLGFJF-UHFFFAOYSA-N OMQADRGFMLGFJF Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749680 CCMSLIB00004692297 6460 spectra_filtered.mgf MONA.mgf 0.961747 66760.0 0 100189.0 9 35.9755 395.052 -1 temp/spectra_filtered.mgf6460 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00004720065 4296 spectra_filtered.mgf MONA.mgf 0.9617 1675640.0 0 322175.0 12 144.042 591.135 -1 temp/spectra_filtered.mgf4296 1 luteolin 4'-O-glucoside N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002244 [M-H]- 447.093 0.0 1 N/A N/A O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 negative MONA 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 UHNXUSWGOJMEFO-QNDFHXLGSA-N UHNXUSWGOJMEFO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720065 CCMSLIB00004683912 4319 spectra_filtered.mgf SUMNER.mgf 0.961585 196040.0 0 27702.6 4 15.9888 593.149 -1 temp/spectra_filtered.mgf4319 1 Apigenin-7-neohesperidoside (Rhoifolin) - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 577.16 0.0 1 17306-46-6 N/A C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 N/A 3 Negative SUMNER 577.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O14 RPMNUQRUHXIGHK-PYXJVEIZSA-N RPMNUQRUHXIGHK Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683912 CCMSLIB00005778288 6407 spectra_filtered.mgf MASSBANK.mgf 0.960845 23640.0 0 9.0472 6 0.00549316 607.161 -1 temp/spectra_filtered.mgf6407 1 Massbank:FIO01058 Diosmin ESI qTof Isolated Massbank Massbank M-H 607.167 0.0 1 N/A N/A c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 N/A 3 Negative MASSBANK 607.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-YFAPSIMESA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778288 CCMSLIB00004683556 4855 spectra_filtered.mgf SUMNER.mgf 0.960782 109900.0 0 469566.0 4 286.037 895.188 -1 temp/spectra_filtered.mgf4855 1 Luteolin-7,3'-di-O-glucoside - 20eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.151 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683556 CCMSLIB00005741456 4108 spectra_filtered.mgf MASSBANK.mgf 0.959617 103750.0 0 375902.0 4 162.051 593.149 -1 temp/spectra_filtered.mgf4108 1 Massbank:PR306110 Kaempferol-3-O-rhamnoside ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 N/A N/A CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 SOSLMHZOJATCCP-UHFFFAOYSA-N SOSLMHZOJATCCP Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005741456 CCMSLIB00005742214 5495 spectra_filtered.mgf MASSBANK.mgf 0.958945 51800.0 0 3.1899 9 0.00189209 593.149 -1 temp/spectra_filtered.mgf5495 1 Massbank:PR306636 Kaempferol-3-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 593.151 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 N/A 3 Negative MASSBANK 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 RTATXGUCZHCSNG-UHFFFAOYSA-N RTATXGUCZHCSNG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005742214 CCMSLIB00012725750 2229 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.957018 210860.0 0 0.518583 9 0.000183105 353.088 -1 temp/spectra_filtered.mgf2229 1 Chlorogenic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 353.088 0.0 1 327-97-9 3 Negative GNPS-LIBRARY 353.088 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:CCMSLIB00012725750 CCMSLIB00005745017 6385 spectra_filtered.mgf MASSBANK.mgf 0.956469 18030.0 0 100183.0 8 35.9733 395.05 -1 temp/spectra_filtered.mgf6385 1 Massbank:PR305759 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745017 CCMSLIB00012403819 8827 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.955607 74050.0 0 7074.16 16 2.01642 283.024 -1 temp/spectra_filtered.mgf8827 1 luteolin ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 285.04 286.048 1 N/A N/A O=c1cc(-c2cc(O)c(O)cc2)oc2cc(O)cc(O)c12 InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 285.04 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O6 IQPNAANSBPBGFQ-UHFFFAOYSA-N IQPNAANSBPBGFQ Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012403819 CCMSLIB00004692297 6691 spectra_filtered.mgf MONA.mgf 0.95288 37300.0 0 100193.0 8 35.9771 395.054 -1 temp/spectra_filtered.mgf6691 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00004702372 1740 spectra_filtered.mgf MONA.mgf 0.952869 52150.0 0 90708.5 9 32.0281 385.116 -1 temp/spectra_filtered.mgf1740 1 CHLOROGENIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011309 [M-H]- 353.088 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 3 negative MONA 353.088 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702372 CCMSLIB00012323714 6497 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.952855 10530.0 0 7.47903 7 0.00268555 359.074 -1 temp/spectra_filtered.mgf6497 1 rosmarinic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 359.077 360.085 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 1 Negative MSNLIB-NEGATIVE 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012323714 CCMSLIB00012323714 6870 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.951919 20330.0 0 1.10486 6 0.000396729 359.077 -1 temp/spectra_filtered.mgf6870 1 rosmarinic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 359.077 360.085 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N 1 Negative MSNLIB-NEGATIVE 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012323714 CCMSLIB00006550433 2745 spectra_filtered.mgf BMDMS-NP.mgf 0.951581 9430.0 0 739105.0 4 388.178 137.022 -1 temp/spectra_filtered.mgf2745 1 10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 525.2 502.21 1 N/A N/A O=C1OC2=CC=C3C(=O)CC4(OC3=C2C(C5=CC=C(OCC6=NC=CN6C)C(OC)=C5)C1)CCCCC4 InChI=1S/C29H30N2O6/c1-31-13-12-30-25(31)17-35-22-8-6-18(14-24(22)34-2)20-15-26(33)36-23-9-7-19-21(32)16-29(10-4-3-5-11-29)37-28(19)27(20)23/h6-9,12-14,20H,3-5,10-11,15-17H2,1-2H3 N/A 1 Positive BMDMS-NP 525.2 UPDATE-SINGLE-ANNOTATED-GOLD Gold C29H30N2O6 VTNHVQOONVRIJY-UHFFFAOYSA-N VTNHVQOONVRIJY Phenylpropanoids and polyketides Neoflavonoids Prenylated neoflavonoids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006550433 CCMSLIB00005745915 8816 spectra_filtered.mgf MASSBANK.mgf 0.948806 27950.0 0 7025.75 9 2.01678 285.039 -1 temp/spectra_filtered.mgf8816 1 Massbank:PR306202 Eriodictyol ESI qTof Isolated Massbank Massbank M-H 287.056 0.0 1 N/A N/A OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1 1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 N/A 3 Negative MASSBANK 287.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H12O6 SBHXYTNGIZCORC-UHFFFAOYSA-N SBHXYTNGIZCORC Phenylpropanoids and polyketides Flavonoids Flavans Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745915 CCMSLIB00005743160 5904 spectra_filtered.mgf MASSBANK.mgf 0.947785 23410.0 0 266035.0 10 162.054 447.092 -1 temp/spectra_filtered.mgf5904 1 Massbank:PR307138 Kaempferol 3-O-sophoroside ESI qTof Isolated Massbank Massbank M-H 609.146 0.0 1 N/A N/A OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 N/A 3 Negative MASSBANK 609.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 LKZDFKLGDGSGEO-UHFFFAOYSA-N LKZDFKLGDGSGEO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005743160 CCMSLIB00005747495 6374 spectra_filtered.mgf MASSBANK.mgf 0.946522 17730.0 0 4.43676 7 0.00198364 447.091 -1 temp/spectra_filtered.mgf6374 1 Massbank:PR305718 Luteolin-4'-O-glucoside ESI qTof Isolated Massbank Massbank M-H 447.093 0.0 1 N/A N/A OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 N/A 3 Negative MASSBANK 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 UHNXUSWGOJMEFO-UHFFFAOYSA-N UHNXUSWGOJMEFO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747495 CCMSLIB00004692397 7561 spectra_filtered.mgf MONA.mgf 0.943803 87390.0 0 85652.9 14 46.0045 491.099 -1 temp/spectra_filtered.mgf7561 1 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001334 [M-H]- 537.104 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+ N/A 3 negative MONA 537.104 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H22O12 UJZQBMQZMKFSRV-XBXARRHUSA-N UJZQBMQZMKFSRV N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692397 CCMSLIB00004692297 6730 spectra_filtered.mgf MONA.mgf 0.942483 48810.0 0 100182.0 9 35.9732 395.05 -1 temp/spectra_filtered.mgf6730 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00005778181 4526 spectra_filtered.mgf MASSBANK.mgf 0.94179 78170.0 0 362453.0 9 162.05 609.143 -1 temp/spectra_filtered.mgf4526 1 Massbank:FIO00586 Quercitrin ESI qTof Isolated Massbank Massbank M-H 447.093 0.0 1 522-12-3 N/A Oc(c4)c(O)cc(c4)C(O1)=C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)C(=O)c(c(O)2)c(cc(O)c2)1 1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 N/A 3 Negative MASSBANK 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 OXGUCUVFOIWWQJ-HQBVPOQASA-N OXGUCUVFOIWWQJ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778181 CCMSLIB00004691774 5420 spectra_filtered.mgf MONA.mgf 0.939224 5550.0 0 267410.0 4 50.0164 137.024 -1 temp/spectra_filtered.mgf5420 1 1-Hydroxy-2-naphthoic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF000711 [M-H]- 187.04 0.0 1 N/A N/A O=C(O)c1ccc2ccccc2c1O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) N/A 3 negative MONA 187.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H8O3 SJJCQDRGABAVBB-UHFFFAOYSA-N SJJCQDRGABAVBB Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004691774 CCMSLIB00005740080 4848 spectra_filtered.mgf MASSBANK.mgf 0.938539 38210.0 0 6.00669 7 0.00268555 447.09 -1 temp/spectra_filtered.mgf4848 1 Massbank:PR305576 Luteolin-7-O-glucoside ESI qTof Isolated Massbank Massbank M-H 447.093 0.0 1 N/A N/A OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 N/A 3 Negative MASSBANK 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 PEFNSGRTCBGNAN-UHFFFAOYSA-N PEFNSGRTCBGNAN Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740080 CCMSLIB00005742241 5819 spectra_filtered.mgf MASSBANK.mgf 0.9362 20780.0 0 338795.0 5 146.054 577.152 -1 temp/spectra_filtered.mgf5819 1 Massbank:PR306341 Pelargonidin-3-O-glucoside ESI qTof Isolated Massbank Massbank M-2H 431.098 0.0 1 N/A N/A OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A ABVCUBUIXWJYSE-UHFFFAOYSA-O ABVCUBUIXWJYSE Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005742241 CCMSLIB00005749604 6739 spectra_filtered.mgf MASSBANK.mgf 0.934635 93000.0 0 997202.0 10 358.072 717.149 -1 temp/spectra_filtered.mgf6739 1 Massbank:PR308806 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C=CC1=CC=C(O)C(O)=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749604 CCMSLIB00012402698 3429 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.933059 33090.0 0 1.33009 7 0.000488281 367.103 -1 temp/spectra_filtered.mgf3429 1 Methyl chlorogenate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 367.103 368.111 1 N/A N/A COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 MZNIJRAPCCELQX-AWOKGZDASA-N 1 Negative MSNLIB-NEGATIVE 367.103 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H20O9 MZNIJRAPCCELQX-AWOKGZDASA-N MZNIJRAPCCELQX Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012402698 CCMSLIB00005749680 3689 spectra_filtered.mgf MASSBANK.mgf 0.932914 47030.0 0 23483.8 6 13.9768 609.144 -1 temp/spectra_filtered.mgf3689 1 Massbank:PR306154 Eriodictyol-7-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 595.167 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 N/A 3 Negative MASSBANK 595.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H32O15 OMQADRGFMLGFJF-UHFFFAOYSA-N OMQADRGFMLGFJF Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749680 CCMSLIB00005747312 6749 spectra_filtered.mgf MASSBANK.mgf 0.932424 40830.0 0 48.543 9 0.0349121 719.165 -1 temp/spectra_filtered.mgf6749 1 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid ESI qTof Isolated Massbank Massbank M+H 719.2 0.0 1 20283-92-5 N/A OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 Negative MASSBANK 719.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747312 CCMSLIB00012725748 2449 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.931176 11680.0 0 4.2351 7 0.00149536 353.09 -1 temp/spectra_filtered.mgf2449 1 Chlorogenic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 353.088 0.0 1 327-97-9 3 Negative GNPS-LIBRARY 353.088 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:CCMSLIB00012725748 CCMSLIB00005745017 4971 spectra_filtered.mgf MASSBANK.mgf 0.930982 11190.0 0 89186.5 7 32.0248 391.102 -1 temp/spectra_filtered.mgf4971 1 Massbank:PR305759 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745017 CCMSLIB00012725655 6888 spectra_filtered.mgf LEAFBOT.mgf 0.930573 16140.0 0 100191.0 7 35.9764 395.053 -1 temp/spectra_filtered.mgf6888 1 Rosmarinic acid ESI Orbitrap Commercial Kellogg Josh Kellogg M-H 359.077 360.085 -1 20283-92-5 5281792 C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O DOUMFZQKYFQNTF-WUTVXBCWSA-N N/A 1 Negative LEAFBOT 359.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012725655 CCMSLIB00003134525 2228 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.929828 425100.0 0 5702.01 9 2.01331 351.074 -1 temp/spectra_filtered.mgf2228 1 Spectral Match to Chlorogenic acid from NIST14 ESI HCD Isolated Data from Sambles Data deposited by rsilva M-H 353.087 0.0 1 327979 N/A N/A N/A N/A 3 Negative GNPS-NIST14-MATCHES 353.087 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:CCMSLIB00003134525 CCMSLIB00005747939 6328 spectra_filtered.mgf MASSBANK.mgf 0.929368 30890.0 0 4.60137 6 0.00198364 431.096 -1 temp/spectra_filtered.mgf6328 1 Massbank:PR306046 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 578-74-5 N/A C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747939 CCMSLIB00004683573 6273 spectra_filtered.mgf SUMNER.mgf 0.928895 14690.0 0 59187.4 5 35.9386 643.139 -1 temp/spectra_filtered.mgf6273 1 Diosmin - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 607.2 0.0 1 520-27-4 N/A C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 N/A 3 Negative SUMNER 607.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-YFAPSIMESA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683573 CCMSLIB00005778068 2498 spectra_filtered.mgf MASSBANK.mgf 0.928831 5410.0 0 98745.1 4 15.0127 137.022 -1 temp/spectra_filtered.mgf2498 1 Massbank:FIO00673 3-Hydroxyanthranilic acid ESI qTof Isolated Massbank Massbank M-H 152.035 0.0 1 548-93-6 N/A OC(=O)c(c1)c(N)c(O)cc1 1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) N/A 3 Negative MASSBANK 152.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H7NO3 WJXSWCUQABXPFS-UHFFFAOYSA-N WJXSWCUQABXPFS Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778068 CCMSLIB00012402698 3440 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.927812 28560.0 0 10778.7 7 3.95691 363.146 -1 temp/spectra_filtered.mgf3440 1 Methyl chlorogenate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 367.103 368.111 1 N/A N/A COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 MZNIJRAPCCELQX-AWOKGZDASA-N 1 Negative MSNLIB-NEGATIVE 367.103 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H20O9 MZNIJRAPCCELQX-AWOKGZDASA-N MZNIJRAPCCELQX Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012402698 CCMSLIB00005746332 8999 spectra_filtered.mgf MASSBANK.mgf 0.927555 155070.0 0 1072650.0 5 192.042 371.077 -1 temp/spectra_filtered.mgf8999 1 Massbank:PR307093 trans-Caffeic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 N/A N/A OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-UHFFFAOYSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746332 CCMSLIB00004708050 9574 spectra_filtered.mgf MONA.mgf 0.926965 51890.0 0 26973.5 9 15.9988 577.131 -1 temp/spectra_filtered.mgf9574 1 [6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016987 [M-H]- 593.13 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2ccc3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2O)C(O)C(O)C1O InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-10-24(35)40-13-23-25(36)27(38)28(39)30(43-23)42-21-9-7-17-19(33)12-22(41-29(17)26(21)37)15-4-8-18(32)20(34)11-15/h1-12,23,25,27-28,30-32,34,36-39H,13H2/b10-3+ N/A 3 negative MONA 593.13 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C30H26O13 VXAHTPDZSOTOPQ-XCVCLJGOSA-N VXAHTPDZSOTOPQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004708050 CCMSLIB00005746332 9003 spectra_filtered.mgf MASSBANK.mgf 0.926494 53590.0 0 1083900.0 5 194.057 373.092 -1 temp/spectra_filtered.mgf9003 1 Massbank:PR307093 trans-Caffeic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 N/A N/A OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-UHFFFAOYSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746332 CCMSLIB00005744388 4980 spectra_filtered.mgf MASSBANK.mgf 0.926221 5850.0 0 69293.1 8 30.0093 463.087 -1 temp/spectra_filtered.mgf4980 1 Massbank:PR306741 Quercetin-3-O-xyloside ESI qTof Isolated Massbank Massbank M-H 433.078 0.0 1 N/A N/A OC1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O 1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2 N/A 3 Negative MASSBANK 433.078 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H18O11 PZZRDJXEMZMZFD-UHFFFAOYSA-N PZZRDJXEMZMZFD Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744388 CCMSLIB00004683556 4674 spectra_filtered.mgf SUMNER.mgf 0.926153 52680.0 0 469569.0 4 286.039 895.19 -1 temp/spectra_filtered.mgf4674 1 Luteolin-7,3'-di-O-glucoside - 20eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.151 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683556 CCMSLIB00004683559 4850 spectra_filtered.mgf SUMNER.mgf 0.925331 24970.0 0 206968.0 5 126.073 483.067 -1 temp/spectra_filtered.mgf4850 1 Luteolin-7,3'-di-O-glucoside - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683559 CCMSLIB00006121436 3470 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.923122 12770.0 0 45302.9 7 15.9959 337.092 -1 temp/spectra_filtered.mgf3470 1 Chlorogenic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 353.088 0.0 1 N/A c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 353.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006121436 CCMSLIB00006682446 3648 spectra_filtered.mgf MONA.mgf 0.922359 5220.0 0 383825.0 4 104.048 167.034 -1 temp/spectra_filtered.mgf3648 1 ALPHA-ARBUTIN ESI qTof isolated MoNA MoNA:MoNA035196 M-H 271.082 0.0 1 N/A N/A C1=C(C=CC(=C1)OC2C(C(C(C(CO)O2)O)O)O)O """InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2""" N/A 3 negative MONA 271.082 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H16O7 BJRNKVDFDLYUGJ-UHFFFAOYSA-N BJRNKVDFDLYUGJ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006682446 CCMSLIB00005720827 5117 spectra_filtered.mgf PSU-MSMLS.mgf 0.920058 10690.0 0 247957.0 4 30.01 151.039 -1 temp/spectra_filtered.mgf5117 1 4-HYDROXYBENZALDEHYDE ESI qTof Commercial Andrew D. Patterson Philip Smith [M-H]- 121.029 122.037 -1 123-08-0 126 C1=CC(=CC=C1C=O)O """InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H""" N/A 1 Negative PSU-MSMLS 121.029 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H6O2 RGHHSNMVTDWUBI-UHFFFAOYSA-N RGHHSNMVTDWUBI Organic oxygen compounds Organooxygen compounds Carbonyl compounds Phenolic acids (C6-C1) Shikimic acids and derivatives|Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005720827 CCMSLIB00005747340 6445 spectra_filtered.mgf MASSBANK.mgf 0.919612 4790.0 0 128132.0 5 46.0093 313.068 -1 temp/spectra_filtered.mgf6445 1 Massbank:PR305753 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747340 CCMSLIB00012079445 9810 spectra_filtered.mgf PHENOLICSDB.mgf 0.918864 14050.0 0 3.62972 7 0.000976562 269.045 -1 temp/spectra_filtered.mgf9810 1 Apigenin 40eV LC-ESI qTof Commercial Jessica Cooperstone DOI:10.5281/zenodo.8475 M-H 269.046 270.053 1 N/A N/A Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N N/A 1 Negative PHENOLICSDB 269.046 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O5 KZNIFHPLKGYRTM-UHFFFAOYSA-N KZNIFHPLKGYRTM Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012079445 CCMSLIB00006681184 819 spectra_filtered.mgf MONA.mgf 0.917729 4140.0 0 107317.0 4 15.9951 165.041 -1 temp/spectra_filtered.mgf819 1 ARABINOSE ESI qTof isolated MoNA MoNA:MoNA035243 M-H 149.046 0.0 1 N/A N/A C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O """InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1""" N/A 3 negative MONA 149.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H10O5 PYMYPHUHKUWMLA-WDCZJNDASA-N PYMYPHUHKUWMLA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006681184 CCMSLIB00004683907 6016 spectra_filtered.mgf SUMNER.mgf 0.916864 23150.0 0 2.05293 5 0.00088501 431.097 -1 temp/spectra_filtered.mgf6016 1 Apigenin-7-O-glucoside (Apigetrin) - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 431.096 0.0 1 578-74-5 N/A c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative SUMNER 431.096 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683907 CCMSLIB00010152873 522 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.916656 33750.0 0 249236.0 6 96.9838 292.141 -1 temp/spectra_filtered.mgf522 1 Polydatin LC-ESI qTof Commercial NA Oliver Gericke M-H 389.125 390.132 1 OCC(O1)C(O)C(O)C(O)C1OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O)=C2 InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+ 3 Negative GNPS-LIBRARY 389.125 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H22O8 HSTZMXCBWJGKHG-OWOJBTEDSA-N HSTZMXCBWJGKHG Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Stilbenoids Monomeric stilbenes Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010152873 CCMSLIB00004683559 4826 spectra_filtered.mgf SUMNER.mgf 0.916549 25950.0 0 170881.0 5 104.09 505.05 -1 temp/spectra_filtered.mgf4826 1 Luteolin-7,3'-di-O-glucoside - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683559 CCMSLIB00005744674 6058 spectra_filtered.mgf MASSBANK.mgf 0.916511 16600.0 0 2.54845 5 0.00109863 431.097 -1 temp/spectra_filtered.mgf6058 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 578-74-5 N/A C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744674 CCMSLIB00004702372 2473 spectra_filtered.mgf MONA.mgf 0.916257 75050.0 0 5698.88 7 2.01221 351.076 -1 temp/spectra_filtered.mgf2473 1 CHLOROGENIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011309 [M-H]- 353.088 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 3 negative MONA 353.088 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702372 CCMSLIB00006121428 2363 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.916233 102480.0 0 5702.6 8 2.01352 351.074 -1 temp/spectra_filtered.mgf2363 1 Chlorogenic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 353.088 0.0 1 N/A c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 353.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006121428 CCMSLIB00004694220 6524 spectra_filtered.mgf MONA.mgf 0.915688 11040.0 0 1002800.0 8 360.081 719.158 -1 temp/spectra_filtered.mgf6524 1 ROSMARINIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003157 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+ N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-ZZXKWVIFSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004694220 CCMSLIB00000845756 8212 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.91467 112130.0 0 5624.13 16 4.03333 713.113 -1 temp/spectra_filtered.mgf8212 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00000845756 8375 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.914442 197670.0 0 2811.73 17 2.01642 715.13 -1 temp/spectra_filtered.mgf8375 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00005747340 6644 spectra_filtered.mgf MASSBANK.mgf 0.91396 6730.0 0 128127.0 4 46.0073 313.07 -1 temp/spectra_filtered.mgf6644 1 Massbank:PR305753 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747340 CCMSLIB00012328786 3428 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.91251 9220.0 0 445007.0 4 97.0441 121.029 -1 temp/spectra_filtered.mgf3428 1 1-HYDROXYPYRENE ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M]+ 218.073 218.073 1 N/A N/A Oc1c2ccc3cccc4c3c2c(cc1)cc4 InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H BIJNHUAPTJVVNQ-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 218.073 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H10O BIJNHUAPTJVVNQ-UHFFFAOYSA-N BIJNHUAPTJVVNQ N/A N/A N/A Phenanthrenoids Phenanthrenes Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012328786 CCMSLIB00005739712 430 spectra_filtered.mgf MASSBANK.mgf 0.910518 56760.0 0 419506.0 5 200.993 278.125 -1 temp/spectra_filtered.mgf430 1 Massbank:PR303058 Petunidin-3-O-beta-glucoside ESI qTof Isolated Massbank Massbank M 479.118 0.0 1 N/A N/A COC1=CC(=CC(O)=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1 1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 N/A 3 Positive MASSBANK 479.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A CCQDWIRWKWIUKK-QKYBYQKWSA-O CCQDWIRWKWIUKK Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739712 CCMSLIB00005739739 4869 spectra_filtered.mgf MASSBANK.mgf 0.909134 9460.0 0 129630.0 5 57.9566 505.05 -1 temp/spectra_filtered.mgf4869 1 Massbank:PR305600 Luteolin-7-O-glucoside ESI qTof Isolated Massbank Massbank M-H 447.093 0.0 1 N/A N/A OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 N/A 3 Negative MASSBANK 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 PEFNSGRTCBGNAN-UHFFFAOYSA-N PEFNSGRTCBGNAN Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739739 CCMSLIB00006684555 4725 spectra_filtered.mgf MONA.mgf 0.907658 17350.0 0 89189.5 7 32.0259 391.103 -1 temp/spectra_filtered.mgf4725 1 ROSMARINIC ACID ESI qTof isolated MoNA MoNA:MoNA034651 M-H 359.077 0.0 1 N/A N/A C1=C(/C=C/C(=O)O[C@H](CC2=CC=C(C(=C2)O)O)C(=O)O)C=C(C(=C1)O)O """InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1""" N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006684555 CCMSLIB00004709382 7768 spectra_filtered.mgf MONA.mgf 0.907055 5410.0 0 445105.0 4 142.024 177.057 -1 temp/spectra_filtered.mgf7768 1 methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018319 [M+H]+ 319.081 0.0 1 N/A N/A COC(=O)C1c2c(oc3cc(CO)cc(O)c3c2=O)C=CC1O InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3 N/A 3 positive MONA 319.081 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H14O7 MPAKYMOQGZITTQ-UHFFFAOYSA-N MPAKYMOQGZITTQ Organoheterocyclic compounds Benzopyrans 1-benzopyrans Xanthones Methyl xanthones Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709382 CCMSLIB00004698575 9938 spectra_filtered.mgf MONA.mgf 0.906711 46300.0 0 233064.0 5 106.072 349.048 -1 temp/spectra_filtered.mgf9938 1 apiosylskimmin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF007512 [M-H]- 455.12 0.0 1 N/A N/A O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1 N/A 3 negative MONA 455.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H24O12 SXPBJYHKMRWZNA-ZITSYKRSSA-N SXPBJYHKMRWZNA Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Coumarins Simple coumarins Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004698575 CCMSLIB00005749227 3638 spectra_filtered.mgf MASSBANK.mgf 0.904614 13580.0 0 895831.0 4 146.056 309.096 -1 temp/spectra_filtered.mgf3638 1 Massbank:PR305564 3-Hydroxycinnamic acid ESI qTof Isolated Massbank Massbank M-H 163.04 0.0 1 N/A N/A OC(=O)C=CC1=CC(O)=CC=C1 1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) N/A 3 Negative MASSBANK 163.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O3 KKSDGJDHHZEWEP-UHFFFAOYSA-N KKSDGJDHHZEWEP Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749227 CCMSLIB00012079739 5418 spectra_filtered.mgf PHENOLICSDB.mgf 0.904431 1950.0 0 141965.0 4 23.9991 193.049 -1 temp/spectra_filtered.mgf5418 1 Vanillic acid 40eV LC-ESI qTof Commercial Jessica Cooperstone DOI:10.5281/zenodo.8409038 M+H 169.05 168.042 1 N/A N/A COC1=C(C=CC(=C1)C(=O)O)O WKOLLVMJNQIZCI-UHFFFAOYSA-N N/A 1 Positive PHENOLICSDB 169.05 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H8O4 WKOLLVMJNQIZCI-UHFFFAOYSA-N WKOLLVMJNQIZCI Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012079739 CCMSLIB00006126398 548 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.904162 4210.0 0 462824.0 4 56.0253 177.076 -1 temp/spectra_filtered.mgf548 1 Erythritol - 30.0 eV ESI Orbitrap Isolated PI Data Collector M-H 121.051 0.0 1 N/A C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 121.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H10O4 UNXHWFMMPAWVPI-UHFFFAOYSA-N UNXHWFMMPAWVPI Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006126398 CCMSLIB00004683559 4687 spectra_filtered.mgf SUMNER.mgf 0.904053 21570.0 0 170878.0 5 104.089 505.051 -1 temp/spectra_filtered.mgf4687 1 Luteolin-7,3'-di-O-glucoside - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683559 CCMSLIB00005464059 4531 spectra_filtered.mgf GNPS-MSMLS.mgf 0.9036 6250.0 0 321026.0 4 43.9882 181.012 -1 temp/spectra_filtered.mgf4531 1 4-HYDROXYBENZOATE ESI Orbitrap Commercial Dorrestein Kelly Weldon M-H 137.024 138.032 -1 99-96-7 N/A OC(=O)C1=CC=C(O)C=C1 """InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)""" N/A 1 Negative GNPS-MSMLS 137.024 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N FJKROLUGYXJWQN Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464059 CCMSLIB00005778021 7177 spectra_filtered.mgf MASSBANK.mgf 0.903536 37260.0 0 97791.9 5 58.0054 651.156 -1 temp/spectra_filtered.mgf7177 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside ESI qTof Isolated Massbank Massbank M-H 593.151 0.0 1 17353-03-6 N/A O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 N/A 3 Negative MASSBANK 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 ZEJXENDZTYVXDP-CSJHBIPPSA-N ZEJXENDZTYVXDP Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778021 CCMSLIB00004705029 5462 spectra_filtered.mgf MONA.mgf 0.903234 16420.0 0 145607.0 8 81.9975 645.138 -1 temp/spectra_filtered.mgf5462 1 Apiin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF013966 [M-H]- 563.141 0.0 1 N/A N/A O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 N/A 3 negative MONA 563.141 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H28O14 NTDLXWMIWOECHG-YRCFQSNFSA-N NTDLXWMIWOECHG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004705029 CCMSLIB00012725748 2215 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.902943 48480.0 0 1002860.0 9 354.097 707.185 -1 temp/spectra_filtered.mgf2215 1 Chlorogenic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 353.088 0.0 1 327-97-9 3 Negative GNPS-LIBRARY 353.088 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:CCMSLIB00012725748 CCMSLIB00004683375 11814 spectra_filtered.mgf SUMNER.mgf 0.899865 11630.0 0 17769.0 5 10.0276 554.301 -1 temp/spectra_filtered.mgf11814 1 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV LC-ESI impact HD Isolated Sumner Sumner M-H 564.329 0.0 1 N/A N/A C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 N/A 3 Negative SUMNER 564.329 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SPJFYYJXNPEZDW-FTJOPAKQSA-N SPJFYYJXNPEZDW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683375 CCMSLIB00012263091 2127 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.899006 33410.0 0 372854.0 4 192.064 707.184 -1 temp/spectra_filtered.mgf2127 1 19870-46-3 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 515.12 516.127 1 N/A N/A O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O """InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1""" YDDUMTOHNYZQPO-PSEXTPKNSA-N 1 Positive PRIVATE-LIB 515.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H24O12 YDDUMTOHNYZQPO-UHFFFAOYSA-N YDDUMTOHNYZQPO Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012263091 CCMSLIB00004691542 1230 spectra_filtered.mgf MONA.mgf 0.897087 6740.0 0 3.67451 5 0.000701904 191.021 -1 temp/spectra_filtered.mgf1230 1 Citric acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF000479 [M-H]- 191.02 0.0 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004691542 CCMSLIB00012404918 8678 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.896534 131280.0 0 3727.87 13 2.0545 549.065 -1 temp/spectra_filtered.mgf8678 1 Monomethyl lithospermate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 551.12 552.127 1 N/A N/A COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ NFOCYHUCMXEHDG-WEVVVXLNSA-N 1 Negative MSNLIB-NEGATIVE 551.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H24O12 NFOCYHUCMXEHDG-WEVVVXLNSA-N NFOCYHUCMXEHDG N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404918 CCMSLIB00011428970 4449 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.896383 30650.0 0 4.30929 14 0.00268555 623.196 -1 temp/spectra_filtered.mgf4449 1 Acteoside LC-ESI qTof Commercial Stephane GREFF Stephane GREFF M-H 623.199 624.205 1 61276-17-3 5281800 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 FBSKJMQYURKNSU-ZLSOWSIRSA-N 3 Negative GNPS-LIBRARY 623.199 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C29H36O15 FBSKJMQYURKNSU-ZLSOWSIRSA-N FBSKJMQYURKNSU Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011428970 CCMSLIB00005738966 4641 spectra_filtered.mgf MASSBANK.mgf 0.895898 11280.0 0 346507.0 4 256.141 483.068 -1 temp/spectra_filtered.mgf4641 1 Massbank:PR306882 Kaempferol-3-O-galactoside-6''-rhamnoside-3'''-rha ESI qTof Isolated Massbank Massbank M-H 739.209 0.0 1 N/A N/A CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3 N/A 3 Negative MASSBANK 739.209 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O19 UYVBMGULWGRDQT-UHFFFAOYSA-N UYVBMGULWGRDQT Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738966 CCMSLIB00006680213 4729 spectra_filtered.mgf MONA.mgf 0.895736 20250.0 0 1441020.0 4 180.114 305.105 -1 temp/spectra_filtered.mgf4729 1 ETHYL SULFATE ESI qTof isolated MoNA MoNA:MoNA035427 M-H 124.991 0.0 1 N/A N/A CCOS(=O)(=O)O """InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)""" N/A 3 negative MONA 124.991 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C2H6O4S KIWBPDUYBMNFTB-UHFFFAOYSA-N KIWBPDUYBMNFTB Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006680213 CCMSLIB00012263005 5447 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.894786 4380.0 0 506396.0 4 198.052 193.049 -1 temp/spectra_filtered.mgf5447 1 TAK-041 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 391.102 392.11 1 N/A N/A CC(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 """InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1""" JZGLECLGVQRPPI-NSHDSACASA-N 1 Positive PRIVATE-LIB 391.102 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H15F3N4O3 JZGLECLGVQRPPI-UHFFFAOYSA-N JZGLECLGVQRPPI N/A N/A N/A Anthranilic acid alkaloids Quinazoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012263005 CCMSLIB00004706163 4644 spectra_filtered.mgf MONA.mgf 0.892881 11200.0 0 194806.0 6 83.9804 515.078 -1 temp/spectra_filtered.mgf4644 1 afzelin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF015100 [M-H]- 431.098 0.0 1 N/A N/A C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 N/A 3 negative MONA 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 SOSLMHZOJATCCP-AEIZVZFYSA-N SOSLMHZOJATCCP Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004706163 CCMSLIB00006529251 7408 spectra_filtered.mgf BMDMS-NP.mgf 0.891582 29300.0 0 129248.0 4 77.963 681.168 -1 temp/spectra_filtered.mgf7408 1 Episyringaresinol 4'-O-beta-D-glncopyranoside ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 603.205 580.216 1 N/A N/A OC1=C(OC)C=C(C=C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4 InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 N/A 1 Positive BMDMS-NP 603.205 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H36O13 WEKCEGQSIIQPAQ-UHFFFAOYSA-N WEKCEGQSIIQPAQ N/A N/A N/A Lignans Furofuranoid lignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006529251 CCMSLIB00004683556 4827 spectra_filtered.mgf SUMNER.mgf 0.890491 17980.0 0 162628.0 4 99.0648 510.086 -1 temp/spectra_filtered.mgf4827 1 Luteolin-7,3'-di-O-glucoside - 20eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.151 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683556 CCMSLIB00005464018 694 spectra_filtered.mgf GNPS-MSMLS.mgf 0.890286 5440.0 0 107333.0 5 15.9936 133.015 -1 temp/spectra_filtered.mgf694 1 TARTRATE ESI Orbitrap Commercial Dorrestein Kelly Weldon M-H 149.009 150.016 -1 147-71-7 N/A O[C@@H]([C@H](O)C(O)=O)C(O)=O """InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1""" N/A 1 Negative GNPS-MSMLS 149.009 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H6O6 FEWJPZIEWOKRBE-LWMBPPNESA-N FEWJPZIEWOKRBE Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464018 CCMSLIB00004683559 4853 spectra_filtered.mgf SUMNER.mgf 0.890183 12630.0 0 154419.0 5 94.0628 515.077 -1 temp/spectra_filtered.mgf4853 1 Luteolin-7,3'-di-O-glucoside - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683559 CCMSLIB00005744674 8959 spectra_filtered.mgf MASSBANK.mgf 0.888404 8490.0 0 180904.0 4 77.9873 509.085 -1 temp/spectra_filtered.mgf8959 1 Massbank:PR306069 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 578-74-5 N/A C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744674 CCMSLIB00005742214 5397 spectra_filtered.mgf MASSBANK.mgf 0.887895 17820.0 0 0.514499 7 0.000305176 593.151 -1 temp/spectra_filtered.mgf5397 1 Massbank:PR306636 Kaempferol-3-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 593.151 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 N/A 3 Negative MASSBANK 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 RTATXGUCZHCSNG-UHFFFAOYSA-N RTATXGUCZHCSNG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005742214 CCMSLIB00000578349 10464 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.886942 18340.0 0 872202.0 5 150.103 322.2 -1 temp/spectra_filtered.mgf10464 1 N-ACETYL-L-LEUCINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 172.097 173.105 0 1188-21-2 70912 O=C(N[C@H](C(=O)O)CC(C)C)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 172.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H15NO3 WXNXCEHXYPACJF-ZETCQYMHSA-N WXNXCEHXYPACJF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578349 CCMSLIB00005740596 6409 spectra_filtered.mgf MASSBANK.mgf 0.885426 9730.0 0 59244.8 5 35.9715 643.138 -1 temp/spectra_filtered.mgf6409 1 Massbank:PR306337 Diosmetin-7-O-neohesperidoside ESI qTof Isolated Massbank Massbank M-H 607.167 0.0 1 N/A N/A COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 N/A 3 Negative MASSBANK 607.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 VCCNKWWXYVWTLT-UHFFFAOYSA-N VCCNKWWXYVWTLT Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740596 CCMSLIB00012727487 6525 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.884363 3070.0 0 6.73301 5 0.00120544 179.034 -1 temp/spectra_filtered.mgf6525 1 Caffeic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 179.035 180.042 1 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ 3 Negative GNPS-LIBRARY 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-DUXPYHPUSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012727487 CCMSLIB00005747312 6873 spectra_filtered.mgf MASSBANK.mgf 0.883634 12510.0 0 50.4949 7 0.0363159 719.164 -1 temp/spectra_filtered.mgf6873 1 Massbank:PR040216 Rosmarinic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid ESI qTof Isolated Massbank Massbank M+H 719.2 0.0 1 20283-92-5 N/A OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 Negative MASSBANK 719.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747312 CCMSLIB00006454977 5586 spectra_filtered.mgf BMDMS-NP.mgf 0.882176 11220.0 0 134541.0 5 30.0108 193.049 -1 temp/spectra_filtered.mgf5586 1 Isofraxidin ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 223.06 222.053 1 N/A N/A O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 N/A 1 Positive BMDMS-NP 223.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H10O5 HOEVRHHMDJKUMZ-UHFFFAOYSA-N HOEVRHHMDJKUMZ Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Coumarins Simple coumarins Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006454977 CCMSLIB00005771004 6313 spectra_filtered.mgf MASSBANK.mgf 0.880867 10860.0 0 83442.8 4 35.9722 467.072 -1 temp/spectra_filtered.mgf6313 1 Massbank:TY000187 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one ESI Ion Trap Isolated Massbank Massbank M+H 431.1 0.0 1 578-74-5 N/A C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative MASSBANK 431.1 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005771004 CCMSLIB00004684106 9146 spectra_filtered.mgf SUMNER.mgf 0.880574 1500.0 0 62432.1 4 12.0494 205.049 -1 temp/spectra_filtered.mgf9146 1 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 193.0 0.0 1 537-73-5 N/A COc1ccc(cc1O)/C=C/C(=O)O InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ N/A 3 Negative SUMNER 193.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H10O4 QURCVMIEKCOAJU-HWKANZROSA-N QURCVMIEKCOAJU Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004684106 CCMSLIB00004692297 4748 spectra_filtered.mgf MONA.mgf 0.880142 6590.0 0 89189.3 7 32.0258 391.103 -1 temp/spectra_filtered.mgf4748 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00005778211 6612 spectra_filtered.mgf MASSBANK.mgf 0.879618 8540.0 0 181311.0 4 110.086 497.081 -1 temp/spectra_filtered.mgf6612 1 Massbank:FIO01056 Diosmin ESI qTof Isolated Massbank Massbank M-H 607.167 0.0 1 N/A N/A c(O)(c3)c(C(=O)2)c(cc3O[C@H](O4)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H](O5)[C@H](O)[C@@H]([C@H]([C@@H]5C)O)O)4)OC(=C2)c(c1)ccc(c1O)OC 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 N/A 3 Negative MASSBANK 607.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-YFAPSIMESA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778211 CCMSLIB00005747340 6750 spectra_filtered.mgf MASSBANK.mgf 0.876685 13630.0 0 1005610.0 6 361.092 720.169 -1 temp/spectra_filtered.mgf6750 1 Massbank:PR305753 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747340 CCMSLIB00004683998 5804 spectra_filtered.mgf SUMNER.mgf 0.876502 13760.0 0 88843.6 4 50.0278 613.128 -1 temp/spectra_filtered.mgf5804 1 Apiin - 50eV LC-ESI impact HD Isolated Sumner Sumner M-H 563.1 0.0 1 26544-34-3 N/A c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 N/A 3 Negative SUMNER 563.1 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H28O14 FDRBRRBUPLHXEM-PUVROTEMSA-N FDRBRRBUPLHXEM Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683998 CCMSLIB00004683375 11830 spectra_filtered.mgf SUMNER.mgf 0.876379 6600.0 0 1.62233 4 0.000915527 564.33 -1 temp/spectra_filtered.mgf11830 1 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV LC-ESI impact HD Isolated Sumner Sumner M-H 564.329 0.0 1 N/A N/A C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 N/A 3 Negative SUMNER 564.329 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SPJFYYJXNPEZDW-FTJOPAKQSA-N SPJFYYJXNPEZDW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683375 CCMSLIB00004693946 6475 spectra_filtered.mgf MONA.mgf 0.875928 2940.0 0 170008.0 5 26.0144 179.033 -1 temp/spectra_filtered.mgf6475 1 PYROCATECHUIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF002883 [M-H]- 153.019 0.0 1 N/A N/A O=C(O)c1cccc(O)c1O InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) N/A 3 negative MONA 153.019 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H6O4 GLDQAMYCGOIJDV-UHFFFAOYSA-N GLDQAMYCGOIJDV Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004693946 CCMSLIB00005742150 9115 spectra_filtered.mgf MASSBANK.mgf 0.875494 38060.0 0 95529.9 4 58.0026 665.17 -1 temp/spectra_filtered.mgf9115 1 Massbank:PR306224 Diosmetin-7-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 607.167 0.0 1 N/A N/A COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 N/A 3 Negative MASSBANK 607.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-UHFFFAOYSA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005742150 CCMSLIB00012295538 9927 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.875485 5380.0 0 5.30641 11 0.00158691 299.054 -1 temp/spectra_filtered.mgf9927 1 Diosmetin ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 299.056 300.063 1 N/A N/A COc1c(O)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 MBNGWHIJMBWFHU-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 299.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H12O6 MBNGWHIJMBWFHU-UHFFFAOYSA-N MBNGWHIJMBWFHU Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012295538 CCMSLIB00005749394 9937 spectra_filtered.mgf MASSBANK.mgf 0.874381 46580.0 0 128123.0 7 46.0062 313.071 -1 temp/spectra_filtered.mgf9937 1 Massbank:PR305712 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749394 CCMSLIB00004702373 2364 spectra_filtered.mgf MONA.mgf 0.87429 7880.0 0 0.259292 8 9.15527e-05 353.088 -1 temp/spectra_filtered.mgf2364 1 CHLOROGENIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011310 [M-H]- 353.088 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 3 negative MONA 353.088 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702373 CCMSLIB00004692299 7902 spectra_filtered.mgf MONA.mgf 0.873709 11230.0 0 44545.6 7 15.9953 343.082 -1 temp/spectra_filtered.mgf7902 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001236 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692299 CCMSLIB00005747340 6560 spectra_filtered.mgf MASSBANK.mgf 0.8726 10310.0 0 128124.0 4 46.0064 313.071 -1 temp/spectra_filtered.mgf6560 1 Massbank:PR305753 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747340 CCMSLIB00012314870 7571 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.87123 6730.0 0 3.4657 11 0.00170898 493.112 -1 temp/spectra_filtered.mgf7571 1 Salvianolic acid A ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 493.114 494.121 1 N/A N/A O=C(/C=C/c1c(/C=C/c2cc(O)c(O)cc2)c(O)c(O)cc1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 YMGFTDKNIWPMGF-UCPJVGPRSA-N 1 Negative MSNLIB-NEGATIVE 493.114 UPDATE-SINGLE-ANNOTATED-GOLD Gold C26H22O10 YMGFTDKNIWPMGF-UCPJVGPRSA-N YMGFTDKNIWPMGF N/A N/A N/A Stilbenoids|Lignans Monomeric stilbenes|Stilbenolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012314870 CCMSLIB00000222187 1110 spectra_filtered.mgf RESPECT.mgf 0.869913 2840.0 0 872919.0 5 158.06 339.131 -1 temp/spectra_filtered.mgf1110 1 ReSpect:PT205430 D-Sorbitol|D-Sorbit|D-Glucitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbol|Cystosol|Glucarine|Diakarmon|Esasorb|Sorbol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol ESI LC-Q-TOF/MS Isolated Putative ReSpect Match ReSpect [M+H] 181.071 0.0 1 50-70-4 N/A C(C(C(C(C(CO)O)O)O)O)O 1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 N/A 3 Positive RESPECT 181.071 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-UHFFFAOYSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000222187 CCMSLIB00006122072 5598 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.867874 6030.0 0 104531.0 4 15.9953 137.024 -1 temp/spectra_filtered.mgf5598 1 2,4-Dihydroxybenzoic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 153.019 0.0 1 N/A c1cc(c(cc1O)O)C(=O)O InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 153.019 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H6O4 UIAFKZKHHVMJGS-UHFFFAOYSA-N UIAFKZKHHVMJGS Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122072 CCMSLIB00004691714 843 spectra_filtered.mgf MONA.mgf 0.866777 28110.0 0 2134980.0 4 476.185 699.225 -1 temp/spectra_filtered.mgf843 1 1-hydroxyanthraquinone N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF000651 [M-H]- 223.04 0.0 1 N/A N/A O=C1c2ccccc2C(=O)c2c(O)cccc21 InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H N/A 3 negative MONA 223.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H8O3 BTLXPCBPYBNQNR-UHFFFAOYSA-N BTLXPCBPYBNQNR Benzenoids Anthracenes Anthraquinones Polycyclic aromatic polyketides Anthraquinones and anthrones Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004691714 CCMSLIB00006125505 1718 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.866524 15290.0 0 162289.0 4 43.9937 315.076 -1 temp/spectra_filtered.mgf1718 1 Arbutin - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 271.082 0.0 1 N/A c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 271.082 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H16O7 BJRNKVDFDLYUGJ-RMPHRYRLSA-N BJRNKVDFDLYUGJ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125505 CCMSLIB00005740445 5039 spectra_filtered.mgf MASSBANK.mgf 0.866391 17350.0 0 337224.0 9 146.057 579.171 -1 temp/spectra_filtered.mgf5039 1 Massbank:PR306410 Naringenin-7-O-glucoside ESI qTof Isolated Massbank Massbank M-H 433.114 0.0 1 N/A N/A OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 N/A 3 Negative MASSBANK 433.114 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H22O10 DLIKSSGEMUFQOK-UHFFFAOYSA-N DLIKSSGEMUFQOK Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740445 CCMSLIB00004697307 2805 spectra_filtered.mgf MONA.mgf 0.866057 9450.0 0 81751.9 7 30.0114 337.092 -1 temp/spectra_filtered.mgf2805 1 3-O-Feruloylquinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF006244 [M-H]- 367.103 0.0 1 N/A N/A COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 N/A 3 negative MONA 367.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H20O9 RAGZUCNPTLULOL-KJJWLSQTSA-N RAGZUCNPTLULOL Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004697307 CCMSLIB00004710552 5186 spectra_filtered.mgf MONA.mgf 0.864921 28320.0 0 206373.0 14 162.055 623.196 -1 temp/spectra_filtered.mgf5186 1 [4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF019489 [M-H]- 785.251 0.0 1 N/A N/A CC1OC(OC2C(O)C(COC(=O)/C=C/c3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+ N/A 3 negative MONA 785.251 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C35H46O20 PSFMBXYUQFAGAM-QPJJXVBHSA-N PSFMBXYUQFAGAM Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004710552 CCMSLIB00005747474 4843 spectra_filtered.mgf MASSBANK.mgf 0.864285 5760.0 0 35774.4 8 15.9945 463.087 -1 temp/spectra_filtered.mgf4843 1 Massbank:PR309227 Flavonol base + 3O, O-Hex ESI qTof Isolated Massbank Massbank M-H 447.093 0.0 1 N/A N/A O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C=C4 1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2 N/A 3 Negative MASSBANK 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 JPUKWEQWGBDDQB-UHFFFAOYSA-N JPUKWEQWGBDDQB Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747474 CCMSLIB00005741351 4201 spectra_filtered.mgf MASSBANK.mgf 0.864137 10510.0 0 3314.85 8 2.01923 607.127 -1 temp/spectra_filtered.mgf4201 1 Massbank:PR306387 Quercetin-3-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 609.146 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 N/A 3 Negative MASSBANK 609.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 IKGXIBQEEMLURG-UHFFFAOYSA-N IKGXIBQEEMLURG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005741351 CCMSLIB00005740879 10890 spectra_filtered.mgf MASSBANK.mgf 0.863907 15120.0 0 738139.0 4 132.153 311.188 -1 temp/spectra_filtered.mgf10890 1 Massbank:PR307106 trans-Caffeic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 N/A N/A OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-UHFFFAOYSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740879 CCMSLIB00004683241 11986 spectra_filtered.mgf SUMNER.mgf 0.863783 20800.0 0 4.47417 4 0.00250244 559.312 -1 temp/spectra_filtered.mgf11986 1 Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV LC-ESI impact HD Isolated Sumner Sumner M-H 559.309 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 559.309 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:CCMSLIB00004683241 CCMSLIB00004700745 11607 spectra_filtered.mgf MONA.mgf 0.863781 34790.0 0 48666.4 6 22.1498 477.285 -1 temp/spectra_filtered.mgf11607 1 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF009682 [M-H]- 455.135 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 N/A 3 negative MONA 455.135 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C24H24O9 BRXADWYLMDAXBU-FLXITYBYSA-N BRXADWYLMDAXBU Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004700745 CCMSLIB00005719108 393 spectra_filtered.mgf LDB_POSITIVE.mgf 0.863618 18980.0 0 1562630.0 5 236.053 387.114 -1 temp/spectra_filtered.mgf393 1 Arabitol LC-ESI qTof Isolated David RONDEAU Thomas DELHAYE Damien OLIVIER [M-H] 151.061 152.068 1 N/A N/A C([C@H](C([C@@H](CO)O)O)O)O """InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1""" N/A 3 Negative LDB_POSITIVE 151.061 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N HEBKCHPVOIAQTA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005719108 CCMSLIB00005467727 13396 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.861727 2060.0 0 103360.0 4 28.0342 243.196 -1 temp/spectra_filtered.mgf13396 1 16-hydroxypalmitic acid LC-ESI qTof Isolated Claudia Maier Armando Alcazar M-H 271.23 0.0 1 3 Negative GNPS-LIBRARY 271.23 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:CCMSLIB00005467727 CCMSLIB00012079445 8197 spectra_filtered.mgf PHENOLICSDB.mgf 0.861487 3070.0 0 2.60886 5 0.000701904 269.045 -1 temp/spectra_filtered.mgf8197 1 Apigenin 40eV LC-ESI qTof Commercial Jessica Cooperstone DOI:10.5281/zenodo.8475 M-H 269.046 270.053 1 N/A N/A Oc1ccc(cc1)c1cc(=O)c2c(O)cc(O)cc2o1 KZNIFHPLKGYRTM-UHFFFAOYSA-N N/A 1 Negative PHENOLICSDB 269.046 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O5 KZNIFHPLKGYRTM-UHFFFAOYSA-N KZNIFHPLKGYRTM Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012079445 CCMSLIB00005740651 9000 spectra_filtered.mgf MASSBANK.mgf 0.861382 58520.0 0 1284850.0 4 230.033 409.068 -1 temp/spectra_filtered.mgf9000 1 Massbank:PR307117 trans-Caffeic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 N/A N/A OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-UHFFFAOYSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740651 CCMSLIB00005738596 5260 spectra_filtered.mgf MASSBANK.mgf 0.861086 3990.0 0 80969.1 4 14.0143 187.096 -1 temp/spectra_filtered.mgf5260 1 Massbank:RP015312 Suberic acid|Octanedioic acid ESI qTof Isolated Massbank Massbank M-H 173.082 0.0 1 505-48-6 N/A OC(=O)CCCCCCC(O)=O 1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) N/A 3 Negative MASSBANK 173.082 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N TYFQFVWCELRYAO Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738596 CCMSLIB00011906742 199 spectra_filtered.mgf TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0.859459 6930.0 0 545592.0 4 392.499 326.901 -1 temp/spectra_filtered.mgf199 1 Bafilomycin Cl ESI Orbitrap Isolated Daniel Petras """Christian Geibel, Giovanni Andrea Vitale""" M-H 719.4 720.409 -1 N/A N/A CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)C=CC(=O)O)O)O)OC)C InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41) N/A 1 Negative TUEBINGEN-NATURAL-PRODUCT-COLLECTION 719.4 UPDATE-SINGLE-ANNOTATED-GOLD Gold C39H60O12 WUDBXVQNMOTFEE-UHFFFAOYSA-N WUDBXVQNMOTFEE N/A N/A N/A Macrolides Bafilomycins Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011906742 CCMSLIB00004683557 4856 spectra_filtered.mgf SUMNER.mgf 0.858902 25230.0 0 471240.0 7 287.051 896.191 -1 temp/spectra_filtered.mgf4856 1 Luteolin-7,3'-di-O-glucoside - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683557 CCMSLIB00005747111 1108 spectra_filtered.mgf MASSBANK.mgf 0.858034 11160.0 0 7014.14 4 2.0491 290.09 -1 temp/spectra_filtered.mgf1108 1 Massbank:PR309145 N-Fructosyl isoleucine ESI qTof Isolated Massbank Massbank M-H 292.139 0.0 1 N/A N/A O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) N/A 3 Negative MASSBANK 292.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H23NO7 VYGRYVGDPYFVCA-UHFFFAOYSA-N VYGRYVGDPYFVCA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747111 CCMSLIB00004691252 12169 spectra_filtered.mgf MONA.mgf 0.856334 4210.0 0 110865.0 5 52.0323 417.3 -1 temp/spectra_filtered.mgf12169 1 18b-glycyrrhetinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF000189 [M-H]- 469.332 0.0 1 N/A N/A CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 N/A 3 negative MONA 469.332 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C30H46O4 MPDGHEJMBKOTSU-AWOGJAJBSA-N MPDGHEJMBKOTSU Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Oleanane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004691252 CCMSLIB00010072705 12230 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.855866 100850.0 0 248016.0 6 178.209 540.33 -1 temp/spectra_filtered.mgf12230 1 PE(16:0/18:0); [M-H]- C39H77N1O8P1 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M-H 718.539 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 718.539 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:CCMSLIB00010072705 CCMSLIB00005749148 8956 spectra_filtered.mgf MASSBANK.mgf 0.855821 6600.0 0 97448.2 5 42.0097 473.108 -1 temp/spectra_filtered.mgf8956 1 Massbank:PR306057 Apigenin-7-O-glucoside|Apigetrin|Cosmosiin|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 578-74-5 N/A C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N KMOUJOKENFFTPU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749148 CCMSLIB00012316145 7457 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.854143 12980.0 0 81902.4 9 43.9901 493.114 -1 temp/spectra_filtered.mgf7457 1 Lithospermic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 537.104 538.111 1 N/A N/A O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1 UJZQBMQZMKFSRV-RGKBJLTCSA-N 1 Negative MSNLIB-NEGATIVE 537.104 UPDATE-SINGLE-ANNOTATED-GOLD Gold C27H22O12 UJZQBMQZMKFSRV-RGKBJLTCSA-N UJZQBMQZMKFSRV N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012316145 CCMSLIB00005747217 10738 spectra_filtered.mgf MASSBANK.mgf 0.851793 3060.0 0 177399.0 4 61.9334 287.186 -1 temp/spectra_filtered.mgf10738 1 Massbank:PR311099 Camptothecin ESI qTof Isolated Massbank Massbank M+H 349.119 0.0 1 N/A N/A O=C2OCC=1C(=O)N4C(=CC=1C2(O)CC)C3=NC=5C=CC=CC=5(C=C3C4) 1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3 N/A 3 Positive MASSBANK 349.119 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H16N2O4 VSJKWCGYPAHWDS-UHFFFAOYSA-N VSJKWCGYPAHWDS N/A N/A N/A Tryptophan alkaloids Pyrroloquinoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747217 CCMSLIB00004693594 4965 spectra_filtered.mgf MONA.mgf 0.850767 6990.0 0 1236480.0 4 204.088 369.144 -1 temp/spectra_filtered.mgf4965 1 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF002531 [M-H]- 165.056 0.0 1 N/A N/A O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 N/A 3 negative MONA 165.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H10O3 LTEPZFZSPZASKJ-UHFFFAOYSA-N LTEPZFZSPZASKJ Organic oxygen compounds Organooxygen compounds Carbonyl compounds Phenylethanoids (C6-C2) Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004693594 CCMSLIB00005436443 11910 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.850021 24770.0 0 110319.0 8 76.1763 614.331 -1 temp/spectra_filtered.mgf11910 1 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid LC-ESI qTof Commercial O Laprevote UMR 8038 Universite de Paris M-H 690.507 691.515 1 923-61-5 3 Negative GNPS-LIBRARY 690.507 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:CCMSLIB00005436443 CCMSLIB00005724857 9510 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.849722 49010.0 0 6168.93 10 2.01859 325.199 -1 temp/spectra_filtered.mgf9510 1 (10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid ESI Orbitrap Isolated Wolfender Luis Quiros-Guerrero M-H 327.218 328.225 -1 N/A N/A CC/C=C/CC(C(/C=C/C(CCCCCCCC(O)=O)O)O)O InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23) N/A 1 Negative GNPS-LIBRARY 327.218 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O5 MKYUCBXUUSZMQB-NMABCHCUSA-N MKYUCBXUUSZMQB Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Octadecanoids Other Octadecanoids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005724857 CCMSLIB00004720253 3909 spectra_filtered.mgf MONA.mgf 0.848608 7410.0 0 39736.3 11 30.0104 785.25 -1 temp/spectra_filtered.mgf3909 1 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002397 [M-H]- 755.24 0.0 1 N/A N/A CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ N/A 3 negative MONA 755.24 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C34H44O19 UDHCHDJLZGYDDM-QPJJXVBHSA-N UDHCHDJLZGYDDM Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720253 CCMSLIB00012264954 2214 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.846452 125780.0 0 368943.0 5 190.05 705.17 -1 temp/spectra_filtered.mgf2214 1 19870-46-3 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 515.12 516.127 1 N/A N/A O=C(C=Cc1cc(O)c(O)cc1)OC1CC(OC(=O)C=Cc2cc(O)c(O)cc2)(C(=O)O)CC(O)C1O """InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1""" YDDUMTOHNYZQPO-PSEXTPKNSA-N 1 Positive PRIVATE-LIB 515.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H24O12 YDDUMTOHNYZQPO-UHFFFAOYSA-N YDDUMTOHNYZQPO Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012264954 CCMSLIB00004683997 5458 spectra_filtered.mgf SUMNER.mgf 0.846322 26270.0 0 88768.5 4 49.9891 613.129 -1 temp/spectra_filtered.mgf5458 1 Apiin - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 563.14 0.0 1 26544-34-3 N/A c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25?,26-/m1/s1 N/A 3 Negative SUMNER 563.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H28O14 FDRBRRBUPLHXEM-PUVROTEMSA-N FDRBRRBUPLHXEM Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683997 CCMSLIB00004711745 11800 spectra_filtered.mgf MONA.mgf 0.843987 1430.0 0 10030.0 6 2.95029 291.196 -1 temp/spectra_filtered.mgf11800 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020682 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711745 CCMSLIB00006125953 846 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.841939 2800.0 0 89332.4 4 15.9955 195.051 -1 temp/spectra_filtered.mgf846 1 L-(?)-Sorbose - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 179.056 0.0 1 N/A C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 179.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 BJHIKXHVCXFQLS-OTWZMJIISA-N BJHIKXHVCXFQLS Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125953 CCMSLIB00012428590 7377 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.841094 4370.0 0 260385.0 4 82.04 397.112 -1 temp/spectra_filtered.mgf7377 1 gentisic acid 5-O-beta-glucoside ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 315.072 316.079 1 N/A N/A O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 CBTFERBMQQAROP-BZNQNGANSA-N 1 Negative MSNLIB-NEGATIVE 315.072 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H16O9 CBTFERBMQQAROP-BZNQNGANSA-N CBTFERBMQQAROP Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012428590 CCMSLIB00010073524 12491 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.840935 60210.0 0 265030.0 5 204.224 566.346 -1 temp/spectra_filtered.mgf12491 1 PE(18:1/20:1); [M-H]- C43H81N1O8P1 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M-H 770.57 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 770.57 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:CCMSLIB00010073524 CCMSLIB00004692297 5027 spectra_filtered.mgf MONA.mgf 0.839789 6110.0 0 89188.9 6 32.0257 391.103 -1 temp/spectra_filtered.mgf5027 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00012404713 8589 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.839485 728820.0 0 316093.0 11 226.048 489.082 -1 temp/spectra_filtered.mgf8589 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404713 CCMSLIB00011431680 6693 spectra_filtered.mgf LEAFBOT.mgf 0.838888 15640.0 0 4.85881 8 0.00360107 741.148 -1 temp/spectra_filtered.mgf6693 1 ROSMARINIC_ACID ESI Orbitrap Commercial Cech Vicky & Victoria 2M-2H+Na 741.144 360.085 -1 20283-92-5 C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 1 Negative LEAFBOT 741.144 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011431680 CCMSLIB00004706197 4705 spectra_filtered.mgf MONA.mgf 0.837487 5620.0 0 140039.0 6 83.064 510.087 -1 temp/spectra_filtered.mgf4705 1 nicotiflorin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF015134 [M-H]- 593.151 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 N/A 3 negative MONA 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 RTATXGUCZHCSNG-QHWHWDPRSA-N RTATXGUCZHCSNG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004706197 CCMSLIB00004692175 11879 spectra_filtered.mgf MONA.mgf 0.836939 3160.0 0 331874.0 5 68.0631 273.15 -1 temp/spectra_filtered.mgf11879 1 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001112 [M-H]- 205.087 0.0 1 N/A N/A CC(C)=CCc1cc(C(=O)O)ccc1O InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) N/A 3 negative MONA 205.087 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H14O3 LBSJJNAMGVDGCU-UHFFFAOYSA-N LBSJJNAMGVDGCU Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Shikimic acids and derivatives|Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692175 CCMSLIB00004700716 10639 spectra_filtered.mgf MONA.mgf 0.836609 19260.0 0 0.795494 14 0.000427246 537.083 -1 temp/spectra_filtered.mgf10639 1 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF009653 [M-H]- 537.083 0.0 1 N/A N/A O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H N/A 3 negative MONA 537.083 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C30H18O10 KNOJWNDGCRZBBA-UHFFFAOYSA-N KNOJWNDGCRZBBA Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004700716 CCMSLIB00004697309 3298 spectra_filtered.mgf MONA.mgf 0.836016 6280.0 0 2.1614 7 0.000793457 367.104 -1 temp/spectra_filtered.mgf3298 1 3-O-Feruloylquinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF006246 [M-H]- 367.103 0.0 1 N/A N/A COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 N/A 3 negative MONA 367.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H20O9 RAGZUCNPTLULOL-KJJWLSQTSA-N RAGZUCNPTLULOL Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004697309 CCMSLIB00004718745 4099 spectra_filtered.mgf MONA.mgf 0.835646 15820.0 0 137840.0 7 104.097 651.107 -1 temp/spectra_filtered.mgf4099 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001120 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718745 CCMSLIB00010072705 12229 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.835253 29780.0 0 261973.0 6 188.237 530.302 -1 temp/spectra_filtered.mgf12229 1 PE(16:0/18:0); [M-H]- C39H77N1O8P1 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M-H 718.539 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 718.539 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:CCMSLIB00010072705 CCMSLIB00012335949 6783 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.833907 4210.0 0 510213.0 4 326.124 313.069 -1 temp/spectra_filtered.mgf6783 1 Plantamajoside ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 639.193 640.2 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCCc2cc(O)c(O)cc2)O[C@@H]1CO InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1 KFEFLPDKISUVNR-QJEHNBJNSA-N 1 Negative MSNLIB-NEGATIVE 639.193 UPDATE-SINGLE-ANNOTATED-GOLD Gold C29H36O16 KFEFLPDKISUVNR-QJEHNBJNSA-N KFEFLPDKISUVNR Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012335949 CCMSLIB00004683556 4658 spectra_filtered.mgf SUMNER.mgf 0.833795 29440.0 0 471216.0 4 287.042 896.193 -1 temp/spectra_filtered.mgf4658 1 Luteolin-7,3'-di-O-glucoside - 20eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.151 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683556 CCMSLIB00004700716 10283 spectra_filtered.mgf MONA.mgf 0.833474 10880.0 0 4.09111 15 0.00219727 537.081 -1 temp/spectra_filtered.mgf10283 1 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF009653 [M-H]- 537.083 0.0 1 N/A N/A O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c(O)c12 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-32,35-38H N/A 3 negative MONA 537.083 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C30H18O10 KNOJWNDGCRZBBA-UHFFFAOYSA-N KNOJWNDGCRZBBA Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004700716 CCMSLIB00006682784 3370 spectra_filtered.mgf MONA.mgf 0.833176 9680.0 0 83914.8 4 14.0167 153.018 -1 temp/spectra_filtered.mgf3370 1 HOMOGENTISIC ACID ESI qTof isolated MoNA MoNA:MoNA034572 M-H 167.035 0.0 1 N/A N/A C1=C(C=C(CC(=O)O)C(=C1)O)O """InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)""" N/A 3 negative MONA 167.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H8O4 IGMNYECMUMZDDF-UHFFFAOYSA-N IGMNYECMUMZDDF Benzenoids Benzene and substituted derivatives Phenylacetic acids Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006682784 CCMSLIB00004708020 11794 spectra_filtered.mgf MONA.mgf 0.832651 6210.0 0 475327.0 6 124.124 385.258 -1 temp/spectra_filtered.mgf11794 1 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016957 [M-H]- 261.134 0.0 1 N/A N/A O=C(O)CCCCCCCC(=O)OCC(O)CO InChI=1S/C12H22O6/c13-8-10(14)9-18-12(17)7-5-3-1-2-4-6-11(15)16/h10,13-14H,1-9H2,(H,15,16) N/A 3 negative MONA 261.134 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O6 BQRISQXLSXCXSC-UHFFFAOYSA-N BQRISQXLSXCXSC Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004708020 CCMSLIB00005740445 5040 spectra_filtered.mgf MASSBANK.mgf 0.832044 29430.0 0 420290.0 9 182.033 615.147 -1 temp/spectra_filtered.mgf5040 1 Massbank:PR306410 Naringenin-7-O-glucoside ESI qTof Isolated Massbank Massbank M-H 433.114 0.0 1 N/A N/A OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 N/A 3 Negative MASSBANK 433.114 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H22O10 DLIKSSGEMUFQOK-UHFFFAOYSA-N DLIKSSGEMUFQOK Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740445 CCMSLIB00004693594 4948 spectra_filtered.mgf MONA.mgf 0.831982 23870.0 0 1236480.0 4 204.089 369.145 -1 temp/spectra_filtered.mgf4948 1 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF002531 [M-H]- 165.056 0.0 1 N/A N/A O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 N/A 3 negative MONA 165.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H10O3 LTEPZFZSPZASKJ-UHFFFAOYSA-N LTEPZFZSPZASKJ Organic oxygen compounds Organooxygen compounds Carbonyl compounds Phenylethanoids (C6-C2) Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004693594 CCMSLIB00000845756 8163 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.829846 48460.0 0 2809.85 13 2.01508 715.131 -1 temp/spectra_filtered.mgf8163 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00004708005 4293 spectra_filtered.mgf MONA.mgf 0.82824 17040.0 0 116632.0 12 88.0783 667.105 -1 temp/spectra_filtered.mgf4293 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016942 [M-H]- 755.183 0.0 1 N/A N/A C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 N/A 3 negative MONA 755.183 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C36H36O18 LSMKTLJKBSXMMR-YQBWYNSVSA-N LSMKTLJKBSXMMR Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004708005 CCMSLIB00005745738 4566 spectra_filtered.mgf MASSBANK.mgf 0.827372 7440.0 0 116634.0 6 88.0803 667.103 -1 temp/spectra_filtered.mgf4566 1 Massbank:PR307512 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside ESI qTof Isolated Massbank Massbank M-H 755.183 0.0 1 N/A N/A CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O 1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3 N/A 3 Negative MASSBANK 755.183 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C36H36O18 LSMKTLJKBSXMMR-UHFFFAOYSA-N LSMKTLJKBSXMMR Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745738 CCMSLIB00000849608 11958 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.825882 17030.0 0 531763.0 6 492.039 433.259 -1 temp/spectra_filtered.mgf11958 1 NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 925.298 926.306 1 n/a n/a C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@H](CO)[C@H]3OC(=O)\C=C\C4=CC=C(O)C=C4)O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C42H54O23/c1-18-28(50)30(52)32(54)39(57-18)62-35-19(2)58-40(33(55)31(35)53)63-37-34(56)41(59-25(16-44)36(37)60-26(48)13-7-20-3-9-22(46)10-4-20)65-42(17-45)38(29(51)24(15-43)64-42)61-27(49)14-8-21-5-11-23(47)12-6-21/h3-14,18-19,24-25,28-41,43-47,50-56H,15-17H2,1-2H3/b13-7+,14-8+/t18-,19-,24+,25+,28-,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42-/m0/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 925.298 UPDATE-SINGLE-ANNOTATED-GOLD Gold C42H54O23 RTQZACYXEASSEF-FTOGDFEBSA-N RTQZACYXEASSEF Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000849608 CCMSLIB00005774817 4339 spectra_filtered.mgf MASSBANK.mgf 0.821336 6750.0 0 196889.0 4 65.0003 395.137 -1 temp/spectra_filtered.mgf4339 1 Massbank:AU206001 Metolachlor-ESA|Metolachlor esa|2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid ESI qTof Isolated Massbank Massbank M+H 330.137 0.0 1 171118-09-5 N/A CCC1=CC=CC(C)=C1N(C(C)COC)C(=O)CS(O)(=O)=O 1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) N/A 3 Positive MASSBANK 330.137 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H23NO5S CIGKZVUEZXGYSV-UHFFFAOYSA-N CIGKZVUEZXGYSV Benzenoids Benzene and substituted derivatives Anilides Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005774817 CCMSLIB00012404715 8720 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.820812 29550.0 0 316095.0 8 226.049 489.081 -1 temp/spectra_filtered.mgf8720 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00000845919 4950 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.82069 5460.0 0 35774.7 6 15.9946 463.088 -1 temp/spectra_filtered.mgf4950 1 NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H2O-H 447.093 466.111 1 n/a n/a OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4 InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18+,19-,20-,21?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 447.093 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H22O12 OSFCFXQMAHURHU-OIKOUPSRSA-N OSFCFXQMAHURHU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Dihydroflavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845919 CCMSLIB00011428721 2252 spectra_filtered.mgf LEAFBOT.mgf 0.819822 52490.0 0 2759.94 7 2.01245 727.153 -1 temp/spectra_filtered.mgf2252 1 Chlorogenic acid ESI Orbitrap commercial Kellogg Josh Kellogg 2M-2H+Na 729.165 354.095 -1 327-97-9 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O CWVRJTMFETXNAD-JUHZACGLSA-N N/A 1 Negative LEAFBOT 729.165 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H18O9 CWVRJTMFETXNAD-UHFFFAOYSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011428721 CCMSLIB00004711744 10961 spectra_filtered.mgf MONA.mgf 0.819611 13320.0 0 227839.0 7 67.0178 361.164 -1 temp/spectra_filtered.mgf10961 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020681 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711744 CCMSLIB00005436443 13361 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.819535 4240.0 0 221836.0 4 153.179 537.328 -1 temp/spectra_filtered.mgf13361 1 (2-aminoethoxy)[2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid LC-ESI qTof Commercial O Laprevote UMR 8038 Universite de Paris M-H 690.507 691.515 1 923-61-5 3 Negative GNPS-LIBRARY 690.507 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:CCMSLIB00005436443 CCMSLIB00004683759 8820 spectra_filtered.mgf SUMNER.mgf 0.817601 8460.0 0 641971.0 4 192.007 491.097 -1 temp/spectra_filtered.mgf8820 1 Farrerol - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 299.09 0.0 1 24211-30-1 N/A Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3 N/A 3 Negative SUMNER 299.09 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H16O5 DYHOLQACRGJEHX-UHFFFAOYSA-N DYHOLQACRGJEHX Phenylpropanoids and polyketides Flavonoids Flavans Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683759 CCMSLIB00012725751 1746 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.817519 8780.0 0 4.2351 6 0.00149536 353.09 -1 temp/spectra_filtered.mgf1746 1 Chlorogenic Acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 353.088 0.0 1 327-97-9 3 Negative GNPS-LIBRARY 353.088 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:CCMSLIB00012725751 CCMSLIB00006122308 917 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.817413 1630.0 0 14922.6 4 2.015 133.015 -1 temp/spectra_filtered.mgf917 1 L-threonic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 135.03 0.0 1 N/A C([C@@H]([C@H](C(=O)O)O)O)O InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 135.03 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H8O5 JPIJQSOTBSSVTP-STHAYSLISA-N JPIJQSOTBSSVTP Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates|Saccharides Hydroxy fatty acids|Monosaccharides Carbohydrates|Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006122308 CCMSLIB00000005359 1245 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART1.mgf 0.816849 15540.0 0 577566.0 4 242.105 177.077 -1 temp/spectra_filtered.mgf1245 1 Nimodipine LC-ESI qTof Isolated Sirenas Ed Esquenazi M+H 419.182 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-SELLECKCHEM-FDA-PART1 419.182 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:CCMSLIB00000005359 CCMSLIB00004692130 10817 spectra_filtered.mgf MONA.mgf 0.816152 11470.0 0 917946.0 8 322.258 673.322 -1 temp/spectra_filtered.mgf10817 1 Griseofulvin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001067 [M-H]- 351.064 0.0 1 N/A N/A COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 N/A 3 negative MONA 351.064 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H17ClO6 DDUHZTYCFQRHIY-RBHXEPJQSA-N DDUHZTYCFQRHIY N/A N/A N/A Aromatic polyketides Griseofulvins Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692130 CCMSLIB00011431680 6894 spectra_filtered.mgf LEAFBOT.mgf 0.815775 9550.0 0 6.4235 8 0.00476074 741.139 -1 temp/spectra_filtered.mgf6894 1 ROSMARINIC_ACID ESI Orbitrap Commercial Cech Vicky & Victoria 2M-2H+Na 741.144 360.085 -1 20283-92-5 C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 1 Negative LEAFBOT 741.144 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011431680 CCMSLIB00004718745 5514 spectra_filtered.mgf MONA.mgf 0.815033 8840.0 0 137831.0 9 104.091 651.113 -1 temp/spectra_filtered.mgf5514 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001120 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718745 CCMSLIB00004708005 4557 spectra_filtered.mgf MONA.mgf 0.815007 14990.0 0 103361.0 7 78.0561 677.127 -1 temp/spectra_filtered.mgf4557 1 [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016942 [M-H]- 755.183 0.0 1 N/A N/A C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1 N/A 3 negative MONA 755.183 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C36H36O18 LSMKTLJKBSXMMR-YQBWYNSVSA-N LSMKTLJKBSXMMR Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004708005 CCMSLIB00004696347 2253 spectra_filtered.mgf MONA.mgf 0.814628 39790.0 0 410017.0 4 212.034 729.168 -1 temp/spectra_filtered.mgf2253 1 phellopterin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF005284 [M+H]+ 517.134 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 N/A 3 positive MONA 517.134 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H24O12 UFCLZKMFXSILNL-PSEXTPKNSA-N UFCLZKMFXSILNL Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004696347 CCMSLIB00005747504 1483 spectra_filtered.mgf MASSBANK.mgf 0.814402 25200.0 0 421340.0 7 142.03 479.122 -1 temp/spectra_filtered.mgf1483 1 Massbank:PR309013 Coumaroyl quinic acid (isomer of 758, 760) ESI qTof Isolated Massbank Massbank M-H 337.092 0.0 1 N/A N/A O=C(OC1CC(O)(C(=O)O)CC(O)C1(O))C=CC2=CC=C(O)C=C2 1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22) N/A 3 Negative MASSBANK 337.092 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H18O8 BMRSEYFENKXDIS-UHFFFAOYSA-N BMRSEYFENKXDIS Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747504 CCMSLIB00004708185 7718 spectra_filtered.mgf MONA.mgf 0.813373 25120.0 0 50598.4 4 30.0125 623.164 -1 temp/spectra_filtered.mgf7718 1 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF017122 [M-H]- 593.151 0.0 1 N/A N/A COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 N/A 3 negative MONA 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 GXDJGKMWLJOJFR-WUSKNVGPSA-N GXDJGKMWLJOJFR Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Flavonoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004708185 CCMSLIB00004691252 13386 spectra_filtered.mgf MONA.mgf 0.812747 6920.0 0 311315.0 4 146.11 323.222 -1 temp/spectra_filtered.mgf13386 1 18b-glycyrrhetinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF000189 [M-H]- 469.332 0.0 1 N/A N/A CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 N/A 3 negative MONA 469.332 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C30H46O4 MPDGHEJMBKOTSU-AWOGJAJBSA-N MPDGHEJMBKOTSU Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Oleanane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004691252 CCMSLIB00006583289 4366 spectra_filtered.mgf BILELIB19.mgf 0.810845 7490.0 0 325112.0 5 318.488 661.136 -1 temp/spectra_filtered.mgf4366 1 Ala-aMCA ESI qToF Crude Dorrestein Emily Gentry 2M-2H+Na 979.624 479.325 -1 C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 N/A 2 Negative BILELIB19 979.624 UPDATE-SINGLE-ANNOTATED-SILVER Silver C27H45NO6 SUPPZMKSIYUTNV-GQLADQBGSA-N SUPPZMKSIYUTNV Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006583289 CCMSLIB00004703550 5360 spectra_filtered.mgf MONA.mgf 0.809646 7560.0 0 426964.0 4 190.032 635.11 -1 temp/spectra_filtered.mgf5360 1 baicalin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF012487 [M-H]- 445.078 0.0 1 N/A N/A O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 N/A 3 negative MONA 445.078 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H18O11 IKIIZLYTISPENI-ZFORQUDYSA-N IKIIZLYTISPENI Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004703550 CCMSLIB00012427369 9187 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.809268 49350.0 0 2897.8 4 1.04929 361.048 -1 temp/spectra_filtered.mgf9187 1 537045-51-5 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 362.097 361.09 1 N/A N/A COC(=O)C1=C(C)Nc2c(c(=O)nc(SC)[nH]2)C1c1ccc(F)cc1 InChI=1S/C17H16FN3O3S/c1-8-11(16(23)24-2)12(9-4-6-10(18)7-5-9)13-14(19-8)20-17(25-3)21-15(13)22/h4-7,12H,1-3H3,(H2,19,20,21,22) ALIUOMZWLHSXSX-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 362.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H16FN3O3S ALIUOMZWLHSXSX-UHFFFAOYSA-N ALIUOMZWLHSXSX N/A N/A N/A Histidine alkaloids Imidazole alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012427369 CCMSLIB00004720065 8808 spectra_filtered.mgf MONA.mgf 0.807656 9920.0 0 210396.0 4 94.0665 353.026 -1 temp/spectra_filtered.mgf8808 1 luteolin 4'-O-glucoside N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002244 [M-H]- 447.093 0.0 1 N/A N/A O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 N/A 3 negative MONA 447.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O11 UHNXUSWGOJMEFO-QNDFHXLGSA-N UHNXUSWGOJMEFO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720065 CCMSLIB00004683558 4643 spectra_filtered.mgf SUMNER.mgf 0.807209 5500.0 0 162611.0 5 99.0529 510.087 -1 temp/spectra_filtered.mgf4643 1 Luteolin-7,3'-di-O-glucoside - 60eV LC-ESI impact HD Isolated Sumner Sumner M-H 609.14 0.0 1 52187-80-1 N/A C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22-,23-,24?,25?,26-,27-/m1/s1 N/A 3 Negative SUMNER 609.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 BISZYPSIZGKOFA-UHFFFAOYSA-N BISZYPSIZGKOFA Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683558 CCMSLIB00012402470 1622 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.806693 8770.0 0 130650.0 4 52.0212 450.192 -1 temp/spectra_filtered.mgf1622 1 2-butoxy-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 398.171 397.164 1 N/A N/A CCCCOc1ccccc1C(=O)Nc1nonc1-c1cc(OC)c(OC)cc1 InChI=1S/C21H23N3O5/c1-4-5-12-28-16-9-7-6-8-15(16)21(25)22-20-19(23-29-24-20)14-10-11-17(26-2)18(13-14)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25) OSMNVIGODYLNNL-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 398.171 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H23N3O5 OSMNVIGODYLNNL-UHFFFAOYSA-N OSMNVIGODYLNNL Benzenoids Benzene and substituted derivatives Methoxybenzenes mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012402470 CCMSLIB00012725738 5288 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.806271 6070.0 0 11629.9 6 5.99103 521.13 -1 temp/spectra_filtered.mgf5288 1 Isorhamnetin-3-O-b-D-Glucoside LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 515.139 0.0 1 2450-53-5 3 Negative GNPS-LIBRARY 515.139 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:CCMSLIB00012725738 CCMSLIB00012404209 6911 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.805911 5270.0 0 79217.3 7 27.9707 381.059 -1 temp/spectra_filtered.mgf6911 1 Neochlorogenic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 353.088 354.095 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 CWVRJTMFETXNAD-NXLLHMKUSA-N 1 Negative MSNLIB-NEGATIVE 353.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H18O9 CWVRJTMFETXNAD-NXLLHMKUSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404209 CCMSLIB00005739153 11445 spectra_filtered.mgf MASSBANK.mgf 0.804768 34650.0 0 7117.69 8 4.03107 562.314 -1 temp/spectra_filtered.mgf11445 1 Massbank:PR309160 LPC 18:1 ESI qTof Isolated Massbank Massbank M+HCOO 566.345 0.0 1 N/A N/A O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3 N/A 3 Negative MASSBANK 566.345 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A YAMUFBLWGFFICM-UHFFFAOYSA-N YAMUFBLWGFFICM Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739153 CCMSLIB00004703088 4096 spectra_filtered.mgf MONA.mgf 0.804671 7150.0 0 0.888971 10 0.000671387 755.239 -1 temp/spectra_filtered.mgf4096 1 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF012025 [M-H]- 755.24 0.0 1 N/A N/A CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ N/A 3 negative MONA 755.24 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C34H44O19 UDHCHDJLZGYDDM-QPJJXVBHSA-N UDHCHDJLZGYDDM Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004703088 CCMSLIB00012298702 1671 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.804384 4680.0 0 52687.9 5 17.9723 323.137 -1 temp/spectra_filtered.mgf1671 1 trehalose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 341.109 342.116 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 HDTRYLNUVZCQOY-LIZSDCNHSA-N 1 Negative MSNLIB-NEGATIVE 341.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 HDTRYLNUVZCQOY-LIZSDCNHSA-N HDTRYLNUVZCQOY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012298702 CCMSLIB00005743474 12642 spectra_filtered.mgf MASSBANK.mgf 0.80278 12010.0 0 56554.9 6 30.0466 561.328 -1 temp/spectra_filtered.mgf12642 1 Massbank:PR309156 MGMG 16:3 ESI qTof Isolated Massbank Massbank M+HCOO 531.281 0.0 1 N/A N/A O=C(OC(CO)COC1OC(CO)C(O)C(O)C1(O))CCCCCC=CCC=CCC=CCC 1S/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)33-19(16-26)18-32-25-24(31)23(30)22(29)20(17-27)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3 N/A 3 Negative MASSBANK 531.281 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H42O9 LJVATEUJGAWSPM-UHFFFAOYSA-N LJVATEUJGAWSPM Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Glycerolipids Glycosylmonoacylglycerols Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005743474 CCMSLIB00003140088 7196 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.802146 12210.0 0 31120.5 8 13.9766 463.089 -1 temp/spectra_filtered.mgf7196 1 Spectral Match to Cyanidin 3-galactoside cation from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein;Ajit Jadhav Data deposited by lfnothias Cat 449.112 0.0 1 142506261 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 449.112 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:CCMSLIB00003140088 CCMSLIB00004693594 4690 spectra_filtered.mgf MONA.mgf 0.801559 6920.0 0 1236480.0 4 204.088 369.144 -1 temp/spectra_filtered.mgf4690 1 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF002531 [M-H]- 165.056 0.0 1 N/A N/A O=C(CCO)c1ccc(O)cc1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 N/A 3 negative MONA 165.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H10O3 LTEPZFZSPZASKJ-UHFFFAOYSA-N LTEPZFZSPZASKJ Organic oxygen compounds Organooxygen compounds Carbonyl compounds Phenylethanoids (C6-C2) Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004693594 CCMSLIB00004720158 4022 spectra_filtered.mgf MONA.mgf 0.799856 17080.0 0 97712.7 4 57.9584 651.109 -1 temp/spectra_filtered.mgf4022 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002322 [M-H]- 593.151 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 N/A 3 negative MONA 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 MGYBYJXAXUBTQF-FOBVWLSUSA-N MGYBYJXAXUBTQF Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720158 CCMSLIB00012428594 7267 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.799806 4890.0 0 260386.0 4 82.0403 397.112 -1 temp/spectra_filtered.mgf7267 1 gentisic acid 5-O-beta-glucoside ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 315.072 316.079 1 N/A N/A O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 CBTFERBMQQAROP-BZNQNGANSA-N 1 Negative MSNLIB-NEGATIVE 315.072 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H16O9 CBTFERBMQQAROP-BZNQNGANSA-N CBTFERBMQQAROP Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012428594 CCMSLIB00005749475 12011 spectra_filtered.mgf MASSBANK.mgf 0.79937 12080.0 0 42525.2 5 23.9982 540.332 -1 temp/spectra_filtered.mgf12011 1 Massbank:PR309158 LPC 18:2 ESI qTof Isolated Massbank Massbank M+HCOO 564.33 0.0 1 N/A N/A O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 N/A 3 Negative MASSBANK 564.33 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SPJFYYJXNPEZDW-UHFFFAOYSA-N SPJFYYJXNPEZDW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749475 CCMSLIB00012339085 6938 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.799231 6450.0 0 473113.0 4 133.937 417.035 -1 temp/spectra_filtered.mgf6938 1 Caffeic acid phenethyl ester ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 283.098 284.105 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ SWUARLUWKZWEBQ-VQHVLOKHSA-N 1 Negative MSNLIB-NEGATIVE 283.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H16O4 SWUARLUWKZWEBQ-VQHVLOKHSA-N SWUARLUWKZWEBQ Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012339085 CCMSLIB00006679587 13116 spectra_filtered.mgf MONA.mgf 0.79918 5010.0 0 1177190.0 7 220.219 407.291 -1 temp/spectra_filtered.mgf13116 1 ALPHA-N-ACETYL-GLUTAMINE ESI Orbitrap isolated MoNA MoNA:MoNA038311 M-H 187.072 0.0 1 N/A N/A C/C(=N/C(CCC(=N)O)C(=O)O)/O """InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)""" N/A 3 negative MONA 187.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H12N2O4 KSMRODHGGIIXDV-UHFFFAOYSA-N KSMRODHGGIIXDV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679587 CCMSLIB00012404918 8636 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.798516 33460.0 0 3729.09 13 2.05518 549.065 -1 temp/spectra_filtered.mgf8636 1 Monomethyl lithospermate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 551.12 552.127 1 N/A N/A COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ NFOCYHUCMXEHDG-WEVVVXLNSA-N 1 Negative MSNLIB-NEGATIVE 551.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H24O12 NFOCYHUCMXEHDG-WEVVVXLNSA-N NFOCYHUCMXEHDG N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404918 CCMSLIB00005778021 7192 spectra_filtered.mgf MASSBANK.mgf 0.797728 9430.0 0 99483.5 5 59.0087 652.16 -1 temp/spectra_filtered.mgf7192 1 Massbank:FIO00178 Kaempferol-7-neohesperidoside ESI qTof Isolated Massbank Massbank M-H 593.151 0.0 1 17353-03-6 N/A O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 N/A 3 Negative MASSBANK 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 ZEJXENDZTYVXDP-CSJHBIPPSA-N ZEJXENDZTYVXDP Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005778021 CCMSLIB00012320746 3161 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.797313 3920.0 0 173485.0 4 45.9885 311.076 -1 temp/spectra_filtered.mgf3161 1 2-HBA ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 265.087 266.094 1 N/A N/A O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+ YNVAHBUBGBLIEY-WGDLNXRISA-N 1 Negative MSNLIB-NEGATIVE 265.087 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H14O3 YNVAHBUBGBLIEY-WGDLNXRISA-N YNVAHBUBGBLIEY Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Diarylheptanoids Linear diarylheptanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012320746 CCMSLIB00012404912 8766 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.796753 137500.0 0 3701.4 12 2.03992 549.08 -1 temp/spectra_filtered.mgf8766 1 Monomethyl lithospermate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 551.12 552.127 1 N/A N/A COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ NFOCYHUCMXEHDG-WEVVVXLNSA-N 1 Negative MSNLIB-NEGATIVE 551.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H24O12 NFOCYHUCMXEHDG-WEVVVXLNSA-N NFOCYHUCMXEHDG N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404912 CCMSLIB00000845756 8506 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.79637 75930.0 0 69730.2 12 50.0067 667.139 -1 temp/spectra_filtered.mgf8506 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00012404715 8639 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.796292 38620.0 0 313276.0 7 224.033 491.097 -1 temp/spectra_filtered.mgf8639 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00000578095 961 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.794597 35480.0 0 265249.0 4 92.0519 439.091 -1 temp/spectra_filtered.mgf961 1 INOSINE 5'-PHOSPHATE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 347.039 348.047 0 131-99-7 8582 C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) N/A 1 Negative GNPS-EMBL-MCF 347.039 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H13N4O8P GRSZFWQUAKGDAV-UHFFFAOYSA-N GRSZFWQUAKGDAV Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578095 CCMSLIB00012407177 3045 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.79316 33060.0 0 6412.4 7 2.16251 335.076 -1 temp/spectra_filtered.mgf3045 1 MEGxp0_001651 (Chimeric precursor selection) ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 337.238 338.246 1 N/A N/A CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) RPHNSADJHUEKRG-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 337.238 UPDATE-SINGLE-ANNOTATED-GOLD Gold C20H34O4 RPHNSADJHUEKRG-UHFFFAOYSA-N RPHNSADJHUEKRG Lipids and lipid-like molecules Prenol lipids Diterpenoids Diterpenoids Colensane and Clerodane diterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012407177 CCMSLIB00012424736 9338 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.792785 61290.0 0 422455.0 6 150.003 505.078 -1 temp/spectra_filtered.mgf9338 1 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 355.075 354.067 1 N/A N/A CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 WWMUCNBEECXFOK-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 355.075 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H14N2O4S WWMUCNBEECXFOK-UHFFFAOYSA-N WWMUCNBEECXFOK Organoheterocyclic compounds Furans Furoic acid and derivatives mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012424736 CCMSLIB00004711743 11479 spectra_filtered.mgf MONA.mgf 0.792651 5270.0 0 3300.38 6 0.970795 293.175 -1 temp/spectra_filtered.mgf11479 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020680 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711743 CCMSLIB00004705740 9139 spectra_filtered.mgf MONA.mgf 0.792309 5020.0 0 83237.4 11 58.0451 639.299 -1 temp/spectra_filtered.mgf9139 1 3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF014677 [M-H]- 697.344 0.0 1 N/A N/A C[C@]12CC[C@H](OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C[C@@H]1CC[C@@H]1C2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18-,19+,20?,21+,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34+,35-/m0/s1 N/A 3 negative MONA 697.344 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C35H54O14 RIPMDUQTRRLJTE-FHSBOVABSA-N RIPMDUQTRRLJTE Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Steroids Cardenolides Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004705740 CCMSLIB00005467911 2923 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.792202 8490.0 0 291078.0 7 149.94 365.18 -1 temp/spectra_filtered.mgf2923 1 1,3-Dicaffeoylquinic acid LC-ESI qTof Isolated Claudia Maier Armando Alcazar M-H 515.12 0.0 1 3 Negative GNPS-LIBRARY 515.12 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:CCMSLIB00005467911 CCMSLIB00000849389 8802 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.788551 72920.0 0 481615.0 4 454.399 489.092 -1 temp/spectra_filtered.mgf8802 1 NCGC00385737-01_C46H74O17_ LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+FA-H 943.491 898.493 1 n/a n/a CC1(C)CCC2(CCC3(C)\C(=C/CC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC8OCC(O)C(O)C8O InChI=1S/C46H74O17/c1-41(2)12-14-46(40(57)63-38-34(55)30(51)25(49)19-59-38)15-13-44(6)21(22(46)16-41)8-9-28-43(5)17-23(47)36(42(3,4)27(43)10-11-45(28,44)7)62-39-35(56)32(53)31(52)26(61-39)20-60-37-33(54)29(50)24(48)18-58-37/h8,22-39,47-56H,9-20H2,1-7H3 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 943.491 UPDATE-SINGLE-ANNOTATED-GOLD Gold C46H74O17 GEXPREATDMYGJF-UHFFFAOYSA-N GEXPREATDMYGJF Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000849389 CCMSLIB00006583113 13419 spectra_filtered.mgf BILELIB19.mgf 0.787185 6400.0 0 186456.0 6 94.0428 410.326 -1 temp/spectra_filtered.mgf13419 1 Ile/Leu-CDCA ESI qToF Crude Dorrestein Emily Gentry M-H 504.369 505.377 -1 C[C@H](CCC(N[C@H](C(O)=O)C(C)CC)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C30H51NO5/c1-6-17(2)27(28(35)36)31-25(34)10-7-18(3)21-8-9-22-26-23(12-14-30(21,22)5)29(4)13-11-20(32)15-19(29)16-24(26)33/h17-24,26-27,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t17?,18-,19+,20-,21-,22+,23+,24-,26+,27?,29+,30-/m1/s1 N/A 2 Negative BILELIB19 504.369 UPDATE-SINGLE-ANNOTATED-SILVER Silver C30H51NO5 RSENRUOYAHKCHG-IQUWCKJFSA-N RSENRUOYAHKCHG Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholane steroids|Stigmastane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006583113 CCMSLIB00006455042 9677 spectra_filtered.mgf BMDMS-NP.mgf 0.786647 11690.0 0 403522.0 5 90.0097 313.07 -1 temp/spectra_filtered.mgf9677 1 Isofraxidin ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 223.06 222.053 1 N/A N/A O=C1OC=2C(OC)=C(O)C(OC)=CC2C=C1 InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 N/A 1 Positive BMDMS-NP 223.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H10O5 HOEVRHHMDJKUMZ-UHFFFAOYSA-N HOEVRHHMDJKUMZ Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Coumarins Simple coumarins Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006455042 CCMSLIB00005741244 7824 spectra_filtered.mgf MASSBANK.mgf 0.785961 10020.0 0 44545.6 6 15.9953 343.082 -1 temp/spectra_filtered.mgf7824 1 Massbank:PR305705 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005741244 CCMSLIB00005777796 10060 spectra_filtered.mgf MASSBANK.mgf 0.785741 10760.0 0 295487.0 6 152.211 667.331 -1 temp/spectra_filtered.mgf10060 1 Massbank:FIO00937 Cynarine ESI qTof Isolated Massbank Massbank M-H 515.12 0.0 1 N/A N/A Oc(c1)c(O)cc(C=CC(=O)O[C@@H]([C@@H](O)2)C[C@@](OC(=O)C=Cc(c3)cc(O)c(O)c3)(C(O)=O)C[C@@H](O)2)c1 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 N/A 3 Negative MASSBANK 515.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H24O12 YDDUMTOHNYZQPO-GCBRTHAASA-N YDDUMTOHNYZQPO Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005777796 CCMSLIB00004720252 5075 spectra_filtered.mgf MONA.mgf 0.785719 15730.0 0 2.34365 9 0.00177002 755.238 -1 temp/spectra_filtered.mgf5075 1 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002396 [M-H]- 755.24 0.0 1 N/A N/A CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ N/A 3 negative MONA 755.24 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C34H44O19 UDHCHDJLZGYDDM-QPJJXVBHSA-N UDHCHDJLZGYDDM Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720252 CCMSLIB00005884087 10574 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.784954 8860.0 0 1054960.0 4 196.239 382.255 -1 temp/spectra_filtered.mgf10574 1 O-PHOSPHO-L-SERINE - 60.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 186.016 0.0 1 407-41-0 N/A N[C@@H](COP(O)(O)=O)C(O)=O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 N/A 1 Positive GNPS-LIBRARY 186.016 UPDATE-SINGLE-ANNOTATED-GOLD Gold C3H8NO6P BZQFBWGGLXLEPQ-REOHCLBHSA-N BZQFBWGGLXLEPQ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005884087 CCMSLIB00004700745 12820 spectra_filtered.mgf MONA.mgf 0.782917 11050.0 0 88145.5 4 40.1181 495.253 -1 temp/spectra_filtered.mgf12820 1 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF009682 [M-H]- 455.135 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1 N/A 3 negative MONA 455.135 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C24H24O9 BRXADWYLMDAXBU-FLXITYBYSA-N BRXADWYLMDAXBU Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004700745 CCMSLIB00012349118 10708 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.782426 1880.0 0 115294.0 6 40.0326 307.189 -1 temp/spectra_filtered.mgf10708 1 CORTICOSTERONE ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 347.222 346.214 1 N/A N/A C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 OMFXVFTZEKFJBZ-HJTSIMOOSA-N 1 Positive MSNLIB-POSITIVE 347.222 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H30O4 OMFXVFTZEKFJBZ-HJTSIMOOSA-N OMFXVFTZEKFJBZ Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Steroids Pregnane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012349118 CCMSLIB00005744550 5019 spectra_filtered.mgf MASSBANK.mgf 0.782169 17600.0 0 627664.0 4 150.056 389.127 -1 temp/spectra_filtered.mgf5019 1 Massbank:PR306967 2'-Hydroxyflavanone ESI qTof Isolated Massbank Massbank M-H 239.071 0.0 1 N/A N/A OC1=CC=CC=C1C1CC(=O)C2=CC=CC=C2O1 1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2 N/A 3 Negative MASSBANK 239.071 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H12O3 KZKWCKFDCPVDFJ-UHFFFAOYSA-N KZKWCKFDCPVDFJ Phenylpropanoids and polyketides Flavonoids Flavans Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744550 CCMSLIB00004711743 10969 spectra_filtered.mgf MONA.mgf 0.782097 9310.0 0 1071560.0 5 315.195 609.341 -1 temp/spectra_filtered.mgf10969 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020680 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711743 CCMSLIB00012404715 8583 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.781451 28970.0 0 313276.0 8 224.033 491.097 -1 temp/spectra_filtered.mgf8583 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00004683375 10889 spectra_filtered.mgf SUMNER.mgf 0.781175 15670.0 0 31917.9 4 18.0122 582.341 -1 temp/spectra_filtered.mgf10889 1 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine (NMR) - 39.9124eV LC-ESI impact HD Isolated Sumner Sumner M-H 564.329 0.0 1 N/A N/A C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1 N/A 3 Negative SUMNER 564.329 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SPJFYYJXNPEZDW-FTJOPAKQSA-N SPJFYYJXNPEZDW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683375 CCMSLIB00006529239 5622 spectra_filtered.mgf BMDMS-NP.mgf 0.780038 9820.0 0 108272.0 4 65.9572 675.139 -1 temp/spectra_filtered.mgf5622 1 Kakkalide ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 609.182 608.174 1 N/A N/A O=C1C(=COC=2C=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5 InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3 N/A 1 Positive BMDMS-NP 609.182 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H32O15 QTVAYNGFFDZGDR-UHFFFAOYSA-N QTVAYNGFFDZGDR Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Isoflavonoids Isoflavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006529239 CCMSLIB00012725771 9189 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.779841 23830.0 0 683869.0 4 132.021 325.071 -1 temp/spectra_filtered.mgf9189 1 Trans ferulic acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 193.05 194.19 1 537-98-4 3 Negative GNPS-LIBRARY 193.05 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:CCMSLIB00012725771 CCMSLIB00004696547 2995 spectra_filtered.mgf MONA.mgf 0.779524 5970.0 0 0.831308 6 0.000305176 367.103 -1 temp/spectra_filtered.mgf2995 1 methyl chlorogenate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF005484 [M-H]- 367.103 0.0 1 N/A N/A COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 N/A 3 negative MONA 367.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H20O9 MZNIJRAPCCELQX-AWOKGZDASA-N MZNIJRAPCCELQX Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004696547 CCMSLIB00012404010 6785 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.779423 3880.0 0 401502.0 4 108.023 161.023 -1 temp/spectra_filtered.mgf6785 1 7,3',4'-Trihydroxyflavone ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 269.046 270.053 1 N/A N/A O=c1cc(-c2cc(O)c(O)cc2)oc2c1ccc(O)c2 InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H PVFGJHYLIHMCQD-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 269.046 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O5 PVFGJHYLIHMCQD-UHFFFAOYSA-N PVFGJHYLIHMCQD N/A N/A N/A Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404010 CCMSLIB00000578349 11733 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.778384 2590.0 0 570083.0 4 98.1095 270.207 -1 temp/spectra_filtered.mgf11733 1 N-ACETYL-L-LEUCINE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 172.097 173.105 0 1188-21-2 70912 O=C(N[C@H](C(=O)O)CC(C)C)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 172.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H15NO3 WXNXCEHXYPACJF-ZETCQYMHSA-N WXNXCEHXYPACJF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578349 CCMSLIB00005747111 1856 spectra_filtered.mgf MASSBANK.mgf 0.778282 9810.0 0 7015.91 4 2.04962 290.089 -1 temp/spectra_filtered.mgf1856 1 Massbank:PR309145 N-Fructosyl isoleucine ESI qTof Isolated Massbank Massbank M-H 292.139 0.0 1 N/A N/A O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) N/A 3 Negative MASSBANK 292.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H23NO7 VYGRYVGDPYFVCA-UHFFFAOYSA-N VYGRYVGDPYFVCA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747111 CCMSLIB00004711745 11664 spectra_filtered.mgf MONA.mgf 0.777728 2780.0 0 10030.4 7 2.95041 291.196 -1 temp/spectra_filtered.mgf11664 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020682 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711745 CCMSLIB00012404916 8643 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.77697 6140.0 0 0.664485 10 0.000366211 551.12 -1 temp/spectra_filtered.mgf8643 1 Monomethyl lithospermate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 551.12 552.127 1 N/A N/A COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ NFOCYHUCMXEHDG-WEVVVXLNSA-N 1 Negative MSNLIB-NEGATIVE 551.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H24O12 NFOCYHUCMXEHDG-WEVVVXLNSA-N NFOCYHUCMXEHDG N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404916 CCMSLIB00012414593 7472 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.775002 6930.0 0 3749.36 10 2.01379 535.09 -1 temp/spectra_filtered.mgf7472 1 Lithospermic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 537.104 538.111 1 N/A N/A O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1 UJZQBMQZMKFSRV-RGKBJLTCSA-N 1 Negative MSNLIB-NEGATIVE 537.104 UPDATE-SINGLE-ANNOTATED-GOLD Gold C27H22O12 UJZQBMQZMKFSRV-RGKBJLTCSA-N UJZQBMQZMKFSRV N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012414593 CCMSLIB00005745073 6476 spectra_filtered.mgf MASSBANK.mgf 0.774848 3440.0 0 128126.0 6 46.007 313.07 -1 temp/spectra_filtered.mgf6476 1 Massbank:PR305739 Rosmarinic acid ESI qTof Isolated Massbank Massbank M-H 359.077 0.0 1 N/A N/A OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) N/A 3 Negative MASSBANK 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-UHFFFAOYSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745073 CCMSLIB00012400434 6669 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.774462 5840.0 0 174378.0 4 88.0802 417.032 -1 temp/spectra_filtered.mgf6669 1 NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M+Cl]- 505.112 470.142 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)OC1C(O)C=CC(OC2OC(CO)C(O)C(O)C2O)C1O InChI=1S/C21H26O12/c22-8-14-16(27)18(29)19(30)21(32-14)31-13-5-4-11(24)20(17(13)28)33-15(26)6-2-9-1-3-10(23)12(25)7-9/h1-7,11,13-14,16-25,27-30H,8H2/b6-2+ HRTKMOMTMZCGLF-QHHAFSJGSA-N 1 Negative MSNLIB-NEGATIVE 505.112 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H26O12 HRTKMOMTMZCGLF-QHHAFSJGSA-N HRTKMOMTMZCGLF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012400434 CCMSLIB00004717938 3624 spectra_filtered.mgf MONA.mgf 0.773785 5570.0 0 0.307654 7 0.000183105 595.167 -1 temp/spectra_filtered.mgf3624 1 neoeriocitrin N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF000410 [M-H]- 595.167 0.0 1 N/A N/A C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 N/A 3 negative MONA 595.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H32O15 OBKKEZLIABHSGY-DOYQYKRZSA-N OBKKEZLIABHSGY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004717938 CCMSLIB00004706598 5618 spectra_filtered.mgf MONA.mgf 0.771009 8690.0 0 386126.0 5 178.046 639.155 -1 temp/spectra_filtered.mgf5618 1 5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF015535 [M-H]- 461.109 0.0 1 N/A N/A COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1O InChI=1S/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-11(24)7-12(30-2)15(26)20(13)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1 N/A 3 negative MONA 461.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C22H22O11 SSVHQKZUFBBLJY-OELQVNMVSA-N SSVHQKZUFBBLJY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004706598 CCMSLIB00010125563 3225 spectra_filtered.mgf BERKELEY-LAB.mgf 0.770957 750.0 0 244937.0 4 36.9952 188.035 -1 temp/spectra_filtered.mgf3225 1 3-Hydroxyphenylacetic acid CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 151.04 0.0 1 N/A N/A O=C(O)Cc1cccc(O)c1 """InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)""" N/A 3 Negative BERKELEY-LAB 151.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N FVMDYYGIDFPZAX Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010125563 CCMSLIB00004683573 5874 spectra_filtered.mgf SUMNER.mgf 0.769424 35890.0 0 111904.0 4 67.9481 675.148 -1 temp/spectra_filtered.mgf5874 1 Diosmin - 40eV LC-ESI impact HD Isolated Sumner Sumner M-H 607.2 0.0 1 520-27-4 N/A C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 N/A 3 Negative SUMNER 607.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O15 GZSOSUNBTXMUFQ-YFAPSIMESA-N GZSOSUNBTXMUFQ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683573 CCMSLIB00004720157 4439 spectra_filtered.mgf MONA.mgf 0.768576 6140.0 0 114612.0 5 67.9821 661.133 -1 temp/spectra_filtered.mgf4439 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002321 [M-H]- 593.151 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 N/A 3 negative MONA 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 MGYBYJXAXUBTQF-FOBVWLSUSA-N MGYBYJXAXUBTQF Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720157 CCMSLIB00006125724 323 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.767889 7930.0 0 174366.0 7 69.9434 471.073 -1 temp/spectra_filtered.mgf323 1 alpha,alpha-Trehalose - 40.0 eV ESI Orbitrap Isolated PI Data Collector Unknown 401.13 0.0 1 N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 401.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 HDTRYLNUVZCQOY-LIZSDCNHSA-N HDTRYLNUVZCQOY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125724 CCMSLIB00004713843 11621 spectra_filtered.mgf MONA.mgf 0.76777 2610.0 0 63470.1 4 20.0056 295.191 -1 temp/spectra_filtered.mgf11621 1 7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF022780 [M-H]- 315.197 0.0 1 N/A N/A C=CC1(C)CC2CCC3C(C)(C(=O)O)CCCC3(C)C2=CC1=O InChI=1S/C20H28O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,11,13,15H,1,6-10,12H2,2-4H3,(H,22,23) N/A 3 negative MONA 315.197 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H28O3 VNOMXNULTAUIDL-UHFFFAOYSA-N VNOMXNULTAUIDL Lipids and lipid-like molecules Prenol lipids Diterpenoids Diterpenoids Pimarane and Isopimarane diterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004713843 CCMSLIB00005740708 5494 spectra_filtered.mgf MASSBANK.mgf 0.767139 4610.0 0 105618.0 5 78.0736 661.135 -1 temp/spectra_filtered.mgf5494 1 Massbank:PR305598 Kaempferol-3-O-robinoside-7-O-rhamnoside ESI qTof Isolated Massbank Massbank M-H 739.209 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 N/A 3 Negative MASSBANK 739.209 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O19 PEFASEPMJYRQBW-UHFFFAOYSA-N PEFASEPMJYRQBW Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740708 CCMSLIB00000845756 8469 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.766719 18040.0 0 5.19161 10 0.00372314 717.142 -1 temp/spectra_filtered.mgf8469 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00012404715 4410 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.766124 8160.0 0 313277.0 7 224.034 491.096 -1 temp/spectra_filtered.mgf4410 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00006583390 12997 spectra_filtered.mgf BILELIB19.mgf 0.766089 20550.0 0 422890.0 4 414.273 565.351 -1 temp/spectra_filtered.mgf12997 1 Ala-aMCA ESI qToF Crude Dorrestein Emily Gentry 2M-2H+Na 979.624 479.325 -1 C[C@H](CCC(N[C@@H](C)C(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO6/c1-14(5-8-21(30)28-15(2)25(33)34)17-6-7-18-22-19(10-12-26(17,18)3)27(4)11-9-16(29)13-20(27)23(31)24(22)32/h14-20,22-24,29,31-32H,5-13H2,1-4H3,(H,28,30)(H,33,34)/t14-,15?,16-,17-,18+,19+,20+,22+,23+,24+,26-,27-/m1/s1 N/A 2 Negative BILELIB19 979.624 UPDATE-SINGLE-ANNOTATED-SILVER Silver C27H45NO6 SUPPZMKSIYUTNV-GQLADQBGSA-N SUPPZMKSIYUTNV Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006583390 CCMSLIB00012404715 8721 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.765575 13890.0 0 313277.0 6 224.034 491.096 -1 temp/spectra_filtered.mgf8721 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00012293059 7411 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.764895 10200.0 0 50512.5 6 26.02 489.1 -1 temp/spectra_filtered.mgf7411 1 77307-50-7 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 515.12 516.127 1 N/A N/A CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1 SXOZSDJHGMAEGZ-IGKKHSBFSA-N 1 Negative MSNLIB-NEGATIVE 515.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H24O12 SXOZSDJHGMAEGZ-IGKKHSBFSA-N SXOZSDJHGMAEGZ Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293059 CCMSLIB00012428590 7615 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.764867 5240.0 0 260390.0 4 82.0417 397.114 -1 temp/spectra_filtered.mgf7615 1 gentisic acid 5-O-beta-glucoside ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 315.072 316.079 1 N/A N/A O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 CBTFERBMQQAROP-BZNQNGANSA-N 1 Negative MSNLIB-NEGATIVE 315.072 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H16O9 CBTFERBMQQAROP-BZNQNGANSA-N CBTFERBMQQAROP Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012428590 CCMSLIB00012292483 2138 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.764007 6900.0 0 164155.0 6 57.9612 411.049 -1 temp/spectra_filtered.mgf2138 1 Neochlorogenic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 353.088 354.095 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 CWVRJTMFETXNAD-NXLLHMKUSA-N 1 Negative MSNLIB-NEGATIVE 353.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H18O9 CWVRJTMFETXNAD-NXLLHMKUSA-N CWVRJTMFETXNAD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012292483 CCMSLIB00012411709 2423 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.763564 1970.0 0 183080.0 4 65.0123 290.091 -1 temp/spectra_filtered.mgf2423 1 MEGxp0_000146 ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 355.103 356.111 1 N/A N/A COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(=O)O)cc1 InChI=1S/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1 FQWZGEBZILOCET-BJGSYIFTSA-N 1 Negative MSNLIB-NEGATIVE 355.103 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H20O9 FQWZGEBZILOCET-BJGSYIFTSA-N FQWZGEBZILOCET Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012411709 CCMSLIB00005721876 3940 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.762996 9200.0 0 263681.0 4 77.0261 369.144 -1 temp/spectra_filtered.mgf3940 1 NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match] LC-ESI qTof Commercial Pieter Dorrestein lfnothias/robinschmid [M+NH4]+ 292.118 274.084 1 N/A N/A COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1 InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-8H,2,4,9H2,1H3 N/A 3 Positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 292.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H14O5 BYHVZDRLSCCTND-UHFFFAOYSA-N BYHVZDRLSCCTND N/A N/A N/A Styrylpyrones Kavalactones and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005721876 CCMSLIB00011431401 10959 spectra_filtered.mgf NEO-MSMS.mgf 0.759994 8050.0 0 254441.0 6 100.053 293.175 -1 temp/spectra_filtered.mgf10959 1 4(RS)-ST-del5-8-NeuroF ESI Orbitrap Isolated J.M.Galano A.Sanchez M-H 393.228 394.236 1 N/A N/A O[C@@H]1CC([C@H](/C=C/C(O)CCC(O)=O)O)O[C@H]1C/C=C\C/C=C\C/C=C\CC InChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-10-11-20-19(25)16-21(28-20)18(24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17?,18-,19-,20+,21?/m0/s1 N/A 1 Negative NEO-MSMS 393.228 UPDATE-SINGLE-ANNOTATED-GOLD Gold C22H34O6 UCBGJOSAVMKADE-BMIBYDEFSA-N UCBGJOSAVMKADE N/A N/A N/A Docosanoids Neurofurans Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011431401 CCMSLIB00005724416 11028 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.757705 28930.0 0 3.88236 6 0.00280762 723.169 -1 temp/spectra_filtered.mgf11028 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ESI Orbitrap Isolated Wolfender Luis Quiros-Guerrero M-H 723.172 724.179 -1 N/A N/A O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 N/A 1 Negative GNPS-LIBRARY 723.172 UPDATE-SINGLE-ANNOTATED-GOLD Gold C39H32O14 GBBLNEWSFXZKJC-LJFOHRRRSA-N GBBLNEWSFXZKJC Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005724416 CCMSLIB00012334046 7759 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.756219 3490.0 0 194156.0 5 100.013 415.107 -1 temp/spectra_filtered.mgf7759 1 Isochlorogenic acid A ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 515.12 516.127 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2cc(O)c(O)cc2)C1O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 KRZBCHWVBQOTNZ-RDJMKVHDSA-N 1 Negative MSNLIB-NEGATIVE 515.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H24O12 KRZBCHWVBQOTNZ-RDJMKVHDSA-N KRZBCHWVBQOTNZ Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012334046 CCMSLIB00005738296 2798 spectra_filtered.mgf MASSBANK.mgf 0.755742 2170.0 0 11274.4 5 2.01851 177.016 -1 temp/spectra_filtered.mgf2798 1 Massbank:RP016713 Caffeic acid|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 331-39-5 N/A O=C(O)\C=C\c1cc(O)c(O)cc1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-DUXPYHPUSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738296 CCMSLIB00005738321 11395 spectra_filtered.mgf MASSBANK.mgf 0.754518 2040.0 0 457017.0 4 63.0934 201.148 -1 temp/spectra_filtered.mgf11395 1 Massbank:RP011503 Anthranilic acid|2-azaniumylbenzoate ESI qTof Isolated Massbank Massbank M+H 138.055 0.0 1 118-92-3 N/A NC1=CC=CC=C1C(O)=O 1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) N/A 3 Positive MASSBANK 138.055 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N RWZYAGGXGHYGMB Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Anthranilic acid alkaloids|Small peptides Aminoacids|Anthranillic acid derivatives Alkaloids|Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738321 CCMSLIB00004719883 1512 spectra_filtered.mgf MONA.mgf 0.754515 7420.0 0 54554.6 4 17.0238 295.026 -1 temp/spectra_filtered.mgf1512 1 2'-Deoxyadenosine cyclic 3',5'-(hydrogen phosphate) N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002092 [M-H]- 312.05 0.0 1 N/A N/A Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]2O1 InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5-6(19-7)2-18-21(16,17)20-5/h3-7H,1-2H2,(H,16,17)(H2,11,12,13)/t5-,6+,7+/m0/s1 N/A 3 negative MONA 312.05 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H12N5O5P MKMZAENVDZADSW-RRKCRQDMSA-N MKMZAENVDZADSW Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719883 CCMSLIB00004683268 12039 spectra_filtered.mgf SUMNER.mgf 0.753022 22290.0 0 30469.8 9 21.9797 699.381 -1 temp/spectra_filtered.mgf12039 1 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV LC-ESI impact HD Isolated Sumner Sumner M-H 721.361 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 721.361 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:CCMSLIB00004683268 CCMSLIB00006564878 3179 spectra_filtered.mgf BMDMS-NP.mgf 0.752818 21050.0 0 527749.0 4 142.023 411.133 -1 temp/spectra_filtered.mgf3179 1 ellipticine ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 269.11 246.116 1 N/A N/A N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 N/A 1 Positive BMDMS-NP 269.11 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H14N2 CTSPAMFJBXKSOY-UHFFFAOYSA-N CTSPAMFJBXKSOY Organoheterocyclic compounds Indoles and derivatives Carbazoles Tryptophan alkaloids Carboline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006564878 CCMSLIB00012725741 5313 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.75221 6960.0 0 11629.1 6 5.9906 521.13 -1 temp/spectra_filtered.mgf5313 1 1,5-Dicaffeoylquinic acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 515.139 0.0 1 30964-13-7 3 Negative GNPS-LIBRARY 515.139 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:CCMSLIB00012725741 CCMSLIB00004720050 5460 spectra_filtered.mgf MONA.mgf 0.751997 16350.0 0 127800.0 5 71.9694 635.11 -1 temp/spectra_filtered.mgf5460 1 Ambocin N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002232 [M-H]- 563.141 0.0 1 N/A N/A O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 InChI=1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1 N/A 3 negative MONA 563.141 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H28O14 UXJMURXRQMFKJC-JEQMPJCPSA-N UXJMURXRQMFKJC Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Isoflavonoids Isoflavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720050 CCMSLIB00004703245 7621 spectra_filtered.mgf MONA.mgf 0.75124 7450.0 0 543434.0 4 229.97 653.15 -1 temp/spectra_filtered.mgf7621 1 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF012182 [M+H]+ 423.18 0.0 1 N/A N/A CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3 N/A 3 positive MONA 423.18 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H26O6 OAUIRSVJXOFAOO-UHFFFAOYSA-N OAUIRSVJXOFAOO Phenylpropanoids and polyketides Isoflavonoids Isoflavans Isoflavonoids Isoflavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004703245 CCMSLIB00012319818 8481 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.75108 22150.0 0 8432.63 8 6.04742 711.099 -1 temp/spectra_filtered.mgf8481 1 Salvianolic acid B ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 717.146 718.153 1 N/A N/A O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 SNKFFCBZYFGCQN-VWUOOIFGSA-N 1 Negative MSNLIB-NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-VWUOOIFGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012319818 CCMSLIB00004683268 13461 spectra_filtered.mgf SUMNER.mgf 0.750497 15270.0 0 8391.48 8 6.05328 727.414 -1 temp/spectra_filtered.mgf13461 1 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV LC-ESI impact HD Isolated Sumner Sumner M-H 721.361 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 721.361 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:CCMSLIB00004683268 CCMSLIB00012407177 3113 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.75036 6120.0 0 432.374 7 0.145813 337.092 -1 temp/spectra_filtered.mgf3113 1 MEGxp0_001651 (Chimeric precursor selection) ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 337.238 338.246 1 N/A N/A CC(CCC1(C)C(C)CCC2(CO)C(CO)=CCCC21)CC(=O)O InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24) RPHNSADJHUEKRG-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 337.238 UPDATE-SINGLE-ANNOTATED-GOLD Gold C20H34O4 RPHNSADJHUEKRG-UHFFFAOYSA-N RPHNSADJHUEKRG Lipids and lipid-like molecules Prenol lipids Diterpenoids Diterpenoids Colensane and Clerodane diterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012407177 CCMSLIB00000578132 42 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.749675 6520.0 0 1052100.0 5 139.944 272.958 -1 temp/spectra_filtered.mgf42 1 (S)-MALATE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 133.014 134.022 0 97-67-6 222656 OC(=O)C[C@@H](C(=O)O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 133.014 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578132 CCMSLIB00005777726 5471 spectra_filtered.mgf MASSBANK.mgf 0.749276 9530.0 0 510353.0 5 220.012 651.11 -1 temp/spectra_filtered.mgf5471 1 Massbank:FIO00765 Afzelin ESI qTof Isolated Massbank Massbank M-H 431.098 0.0 1 482-39-3 N/A Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C(C)3)C(=O)c(c(O)2)c(cc(O)c2)1 1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 N/A 3 Negative MASSBANK 431.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 SOSLMHZOJATCCP-UHFFFAOYSA-N SOSLMHZOJATCCP Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005777726 CCMSLIB00005743996 10670 spectra_filtered.mgf MASSBANK.mgf 0.748331 7150.0 0 32029.2 4 18.0104 580.323 -1 temp/spectra_filtered.mgf10670 1 Massbank:PR309157 LPC 18:3 ESI qTof Isolated Massbank Massbank M+HCOO 562.313 0.0 1 N/A N/A O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCC=CCC 1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3 N/A 3 Negative MASSBANK 562.313 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A WKQNRCYKYCKESD-UHFFFAOYSA-N WKQNRCYKYCKESD Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005743996 CCMSLIB00005740650 4484 spectra_filtered.mgf MASSBANK.mgf 0.748183 7980.0 0 103359.0 7 78.0549 677.128 -1 temp/spectra_filtered.mgf4484 1 Massbank:PR307516 Quercetin 3-O-[2''-O-(6'''-O-p-coumaroyl)-b-D-glucopyranosyl]-a-L-rhamnopyranoside ESI qTof Isolated Massbank Massbank M-H 755.183 0.0 1 N/A N/A CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O 1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3 N/A 3 Negative MASSBANK 755.183 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C36H36O18 LSMKTLJKBSXMMR-UHFFFAOYSA-N LSMKTLJKBSXMMR Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740650 CCMSLIB00004718745 4491 spectra_filtered.mgf MONA.mgf 0.748017 10420.0 0 137841.0 4 104.098 651.106 -1 temp/spectra_filtered.mgf4491 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001120 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718745 CCMSLIB00004697143 9614 spectra_filtered.mgf MONA.mgf 0.747642 4440.0 0 401165.0 5 367.338 548.34 -1 temp/spectra_filtered.mgf9614 1 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF006080 [M-H]- 915.678 0.0 1 N/A N/A CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1 N/A 3 negative MONA 915.678 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C51H96O13 MONOOAYGIBRELN-REQVTYDXSA-N MONOOAYGIBRELN Lipids and lipid-like molecules Prenol lipids Polyterpenoids Polyprenols Polyprenol derivatives Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004697143 CCMSLIB00012410349 5543 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.747542 8710.0 0 115658.0 4 35.9762 347.032 -1 temp/spectra_filtered.mgf5543 1 KS IV ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 311.056 312.063 1 N/A N/A O=C(O)c1cc(-c2cc(O)c(O)cc2)c2cc(O)c(O)cc2c1 InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) ZSKDVJYWOHBGNI-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 311.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H12O6 ZSKDVJYWOHBGNI-UHFFFAOYSA-N ZSKDVJYWOHBGNI Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012410349 CCMSLIB00004717520 4986 spectra_filtered.mgf MONA.mgf 0.746098 6820.0 0 4.19725 11 0.0032959 785.248 -1 temp/spectra_filtered.mgf4986 1 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF000039 [M-H]- 785.251 0.0 1 N/A N/A C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 N/A 3 negative MONA 785.251 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C35H46O20 SDRRSTAVRUERNC-JASYHDAHSA-N SDRRSTAVRUERNC Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004717520 CCMSLIB00004717520 5349 spectra_filtered.mgf MONA.mgf 0.745884 8330.0 0 17845.6 12 14.0133 799.264 -1 temp/spectra_filtered.mgf5349 1 [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF000039 [M-H]- 785.251 0.0 1 N/A N/A C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 N/A 3 negative MONA 785.251 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C35H46O20 SDRRSTAVRUERNC-JASYHDAHSA-N SDRRSTAVRUERNC Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004717520 CCMSLIB00006401679 9197 spectra_filtered.mgf BMDMS-NP.mgf 0.745811 100380.0 0 302275.0 5 74.9853 323.055 -1 temp/spectra_filtered.mgf9197 1 1-hydroxy-10-methylacridone ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 248.07 225.079 1 N/A N/A O=C1C=2C=CC=CC2N(C=3C=CC=C(O)C13)C InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3 N/A 1 Positive BMDMS-NP 248.07 UPDATE-SINGLE-ANNOTATED-GOLD Gold C14H11NO2 NHYDBJFGZCQFEO-UHFFFAOYSA-N NHYDBJFGZCQFEO Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Anthranilic acid alkaloids Acridone alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006401679 CCMSLIB00005744479 640 spectra_filtered.mgf MASSBANK.mgf 0.74547 69510.0 0 10270.9 4 2.94919 290.089 -1 temp/spectra_filtered.mgf640 1 Massbank:PR308174 Indole-3-acetyl-L-leucine ESI qTof Isolated Massbank Massbank M-H 287.14 0.0 1 N/A N/A CC(C)CC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O 1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21) N/A 3 Negative MASSBANK 287.14 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H20N2O3 HCZNPUHZYPPINM-UHFFFAOYSA-N HCZNPUHZYPPINM Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Tryptophan alkaloids Simple indole alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744479 CCMSLIB00006583706 12232 spectra_filtered.mgf BILELIB19.mgf 0.743914 7420.0 0 399862.0 4 405.312 608.318 -1 temp/spectra_filtered.mgf12232 1 Ser-bMCA ESI qToF Crude Dorrestein Emily Gentry 2M+Na 1013.63 495.32 1 C[C@H](CCC(N[C@H](C(O)=O)CO)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C InChI=1S/C27H45NO7/c1-14(4-7-21(31)28-20(13-29)25(34)35)16-5-6-17-22-18(9-11-26(16,17)2)27(3)10-8-15(30)12-19(27)23(32)24(22)33/h14-20,22-24,29-30,32-33H,4-13H2,1-3H3,(H,28,31)(H,34,35)/t14-,15-,16-,17+,18+,19+,20?,22+,23+,24-,26-,27-/m1/s1 N/A 2 Positive BILELIB19 1013.63 UPDATE-SINGLE-ANNOTATED-SILVER Silver C27H45NO7 XTVBGIKVKTYPQN-AYYILLNLSA-N XTVBGIKVKTYPQN Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006583706 CCMSLIB00004714458 4244 spectra_filtered.mgf MONA.mgf 0.743404 3160.0 0 471794.0 5 176.067 549.254 -1 temp/spectra_filtered.mgf4244 1 2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF023395 [M-H]- 373.187 0.0 1 N/A N/A CC/C=C\CC1C(CC(=O)O)CCC1OC1OC(CO)C(O)C(O)C1O InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3- N/A 3 negative MONA 373.187 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H30O8 GJZJZRWFRZFTEE-ARJAWSKDSA-N GJZJZRWFRZFTEE Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Octadecanoids Jasmonic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004714458 CCMSLIB00004683243 11878 spectra_filtered.mgf SUMNER.mgf 0.742866 6990.0 0 5.4563 4 0.00305176 559.312 -1 temp/spectra_filtered.mgf11878 1 Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV LC-ESI impact HD Isolated Sumner Sumner M-H 559.309 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 559.309 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:CCMSLIB00004683243 CCMSLIB00010007912 8474 spectra_filtered.mgf GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0.742452 28810.0 0 66969.1 7 48.0268 669.121 -1 temp/spectra_filtered.mgf8474 1 Salvianolic acid B LC-ESI qTof Isolated Sang Hee SHIM Kyo Bin Kang Eunah JEONG Seungju SON M-H 717.148 718.153 1 121521-90-2 N/A C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48) N/A 1 Negative GNPS-SAM-SIK-KANG-LEGACY-LIBRARY 717.148 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-UHFFFAOYSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010007912 CCMSLIB00005742326 8296 spectra_filtered.mgf MASSBANK.mgf 0.74203 7930.0 0 62912.3 6 40.2108 679.368 -1 temp/spectra_filtered.mgf8296 1 Massbank:PR306731 isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) ESI qTof Isolated Massbank Massbank M-H 639.157 0.0 1 N/A N/A COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 N/A 3 Negative MASSBANK 639.157 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C28H32O17 VKVBSQRURLRCHO-UHFFFAOYSA-N VKVBSQRURLRCHO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005742326 CCMSLIB00004697142 7795 spectra_filtered.mgf MONA.mgf 0.741217 3150.0 0 268954.0 7 246.276 669.402 -1 temp/spectra_filtered.mgf7795 1 (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF006079 [M-H]- 915.678 0.0 1 N/A N/A CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1 N/A 3 negative MONA 915.678 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C51H96O13 MONOOAYGIBRELN-REQVTYDXSA-N MONOOAYGIBRELN Lipids and lipid-like molecules Prenol lipids Polyterpenoids Polyprenols Polyprenol derivatives Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004697142 CCMSLIB00006682958 4952 spectra_filtered.mgf MONA.mgf 0.74105 4610.0 0 69757.0 4 12.001 160.039 -1 temp/spectra_filtered.mgf4952 1 4-QUINOLINECARBOXYLIC ACID ESI qTof isolated MoNA MoNA:MoNA034514 M-H 172.04 0.0 1 N/A N/A C1=CC2=C(C=C1)N=CC=C2C(=O)O """InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)""" N/A 3 negative MONA 172.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H7NO2 VQMSRUREDGBWKT-UHFFFAOYSA-N VQMSRUREDGBWKT Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Tryptophan alkaloids|Anthranilic acid alkaloids Quinoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006682958 CCMSLIB00012339085 10947 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.740529 11470.0 0 1364160.0 4 386.192 669.29 -1 temp/spectra_filtered.mgf10947 1 Caffeic acid phenethyl ester ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 283.098 284.105 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)OCCc1ccccc1 InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ SWUARLUWKZWEBQ-VQHVLOKHSA-N 1 Negative MSNLIB-NEGATIVE 283.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H16O4 SWUARLUWKZWEBQ-VQHVLOKHSA-N SWUARLUWKZWEBQ Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012339085 CCMSLIB00012404912 8898 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.740377 9320.0 0 4.87289 11 0.00268555 551.117 -1 temp/spectra_filtered.mgf8898 1 Monomethyl lithospermate ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 551.12 552.127 1 N/A N/A COC(=O)C1c2c(/C=C/C(=O)OC(Cc3cc(O)c(O)cc3)C(=O)O)ccc(O)c2OC1c1cc(O)c(O)cc1 InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+ NFOCYHUCMXEHDG-WEVVVXLNSA-N 1 Negative MSNLIB-NEGATIVE 551.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H24O12 NFOCYHUCMXEHDG-WEVVVXLNSA-N NFOCYHUCMXEHDG N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404912 CCMSLIB00004711744 10960 spectra_filtered.mgf MONA.mgf 0.738178 4030.0 0 193745.0 6 56.9894 351.135 -1 temp/spectra_filtered.mgf10960 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020681 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711744 CCMSLIB00010121955 3174 spectra_filtered.mgf BERKELEY-LAB.mgf 0.737563 2370.0 0 8.68699 6 0.0019989 230.101 -1 temp/spectra_filtered.mgf3174 1 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 230.103 0.0 1 N/A N/A CCC(C)C(N=C(O)CCC(=O)O)C(=O)O """InChI=1S/C10H17NO5/c1-3-6(2)9(10(15)16)11-7(12)4-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)""" N/A 3 Negative BERKELEY-LAB 230.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H17NO5 LLXWDSPVRCKBPZ-UHFFFAOYSA-N LLXWDSPVRCKBPZ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010121955 CCMSLIB00000845756 8424 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.737518 8000.0 0 19490.8 10 13.9778 731.124 -1 temp/spectra_filtered.mgf8424 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00012342407 3490 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.737387 1920.0 0 9.25673 5 0.00160217 173.08 -1 temp/spectra_filtered.mgf3490 1 Octanedioic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 173.082 174.089 1 N/A N/A O=C(O)CCCCCCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 173.082 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N TYFQFVWCELRYAO Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012342407 CCMSLIB00005724416 10042 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.736041 27820.0 0 201943.0 5 146.039 577.133 -1 temp/spectra_filtered.mgf10042 1 [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ESI Orbitrap Isolated Wolfender Luis Quiros-Guerrero M-H 723.172 724.179 -1 N/A N/A O[C@@H]([C@H](COC(/C=C/c(cc1)ccc1O)=O)O[C@@H]([C@H]1OC(/C=C/c(cc2)ccc2O)=O)Oc(cc2O)cc(OC(c(cc3)ccc3O)=C3)c2C3=O)[C@H]1O InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/t32-,36+,37-,38-,39-/m0/s1 N/A 1 Negative GNPS-LIBRARY 723.172 UPDATE-SINGLE-ANNOTATED-GOLD Gold C39H32O14 GBBLNEWSFXZKJC-LJFOHRRRSA-N GBBLNEWSFXZKJC Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005724416 CCMSLIB00006118756 113 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.735206 860.0 0 494516.0 4 227.046 232.081 -1 temp/spectra_filtered.mgf113 1 Phloridzin - 30.0 eV ESI Orbitrap Isolated PI Data Collector M+Na 459.127 0.0 1 N/A c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 459.127 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H24O10 IOUVKUPGCMBWBT-QNDFHXLGSA-N IOUVKUPGCMBWBT Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Chalcones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006118756 CCMSLIB00004718745 4173 spectra_filtered.mgf MONA.mgf 0.735168 9140.0 0 137840.0 5 104.098 651.106 -1 temp/spectra_filtered.mgf4173 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001120 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718745 CCMSLIB00004718745 4110 spectra_filtered.mgf MONA.mgf 0.73402 7270.0 0 124561.0 6 94.0693 661.135 -1 temp/spectra_filtered.mgf4110 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001120 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718745 CCMSLIB00004700537 4532 spectra_filtered.mgf MONA.mgf 0.732724 2320.0 0 172541.0 5 73.0073 350.123 -1 temp/spectra_filtered.mgf4532 1 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF009474 [M-H]- 423.13 0.0 1 N/A N/A C=C(C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CO InChI=1S/C20H24O10/c1-11(13(22)9-21)19(27)28-10-14-16(24)17(25)18(26)20(29-14)30-15(23)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-18,20-22,24-26H,1,9-10H2/b8-7+/t13?,14-,16-,17+,18-,20+/m1/s1 N/A 3 negative MONA 423.13 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H24O10 MYWZGSROPRXVPM-AUMMCNCRSA-N MYWZGSROPRXVPM N/A N/A N/A Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004700537 CCMSLIB00005464173 7823 spectra_filtered.mgf GNPS-MSMLS.mgf 0.732679 6900.0 0 821455.0 4 147.069 326.104 -1 temp/spectra_filtered.mgf7823 1 CAFFEATE ESI Orbitrap Commercial Dorrestein Kelly Weldon M-H 179.035 180.042 -1 331-39-5 N/A OC(=O)\C=C/C1=CC=C(O)C(O)=C1 """InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-""" N/A 1 Negative GNPS-MSMLS 179.035 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H8O4 QAIPRVGONGVQAS-RQOWECAXSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464173 CCMSLIB00004719993 4647 spectra_filtered.mgf MONA.mgf 0.73251 5600.0 0 226102.0 5 68.0731 369.145 -1 temp/spectra_filtered.mgf4647 1 Sternbin N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002184 [M-H]- 301.072 0.0 1 N/A N/A COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2=O InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3 N/A 3 negative MONA 301.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H14O6 DSAJORLEPQBKDA-UHFFFAOYSA-N DSAJORLEPQBKDA Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719993 CCMSLIB00004720252 5450 spectra_filtered.mgf MONA.mgf 0.732498 6250.0 0 18554.4 9 14.013 769.253 -1 temp/spectra_filtered.mgf5450 1 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002396 [M-H]- 755.24 0.0 1 N/A N/A CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ N/A 3 negative MONA 755.24 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C34H44O19 UDHCHDJLZGYDDM-QPJJXVBHSA-N UDHCHDJLZGYDDM Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylethanoids (C6-C2)|Phenylpropanoids (C6-C3) Cinnamic acids and derivatives|Phenylethanoids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720252 CCMSLIB00005776367 7814 spectra_filtered.mgf MASSBANK.mgf 0.732475 12130.0 0 750452.0 4 250.036 583.217 -1 temp/spectra_filtered.mgf7814 1 Massbank:AU259905 Isoxaben|2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide ESI qTof Isolated Massbank Massbank M+H 333.181 0.0 1 87387-81-3 N/A CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) N/A 3 Positive MASSBANK 333.181 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H24N2O4 PMHURSZHKKJGBM-UHFFFAOYSA-N PMHURSZHKKJGBM Benzenoids Benzene and substituted derivatives Methoxybenzenes Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005776367 CCMSLIB00004706089 11344 spectra_filtered.mgf MONA.mgf 0.731194 12930.0 0 433661.0 9 218.202 721.364 -1 temp/spectra_filtered.mgf11344 1 Melezitose N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF015026 [M-H]- 503.162 0.0 1 N/A N/A OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 N/A 3 negative MONA 503.162 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H32O16 QWIZNVHXZXRPDR-WSCXOGSTSA-N QWIZNVHXZXRPDR Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004706089 CCMSLIB00012401185 3725 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.729987 3750.0 0 759176.0 7 236.162 547.239 -1 temp/spectra_filtered.mgf3725 1 NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 311.077 312.085 1 N/A N/A CC(O)(C(=O)O)C(O)COC(=O)/C=C/c1cc(O)c(O)cc1 InChI=1S/C14H16O8/c1-14(21,13(19)20)11(17)7-22-12(18)5-3-8-2-4-9(15)10(16)6-8/h2-6,11,15-17,21H,7H2,1H3,(H,19,20)/b5-3+ RUEPXZDDWQCITK-HWKANZROSA-N 1 Negative MSNLIB-NEGATIVE 311.077 UPDATE-SINGLE-ANNOTATED-GOLD Gold C14H16O8 RUEPXZDDWQCITK-HWKANZROSA-N RUEPXZDDWQCITK Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012401185 CCMSLIB00012404713 4384 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.729139 15050.0 0 316095.0 8 226.049 489.081 -1 temp/spectra_filtered.mgf4384 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404713 CCMSLIB00012334705 4477 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.729099 7650.0 0 1315810.0 8 296.138 521.2 -1 temp/spectra_filtered.mgf4477 1 alpha-D-glucose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 225.062 180.063 1 N/A N/A OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N 1 Negative MSNLIB-NEGATIVE 225.062 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012334705 CCMSLIB00005744713 3670 spectra_filtered.mgf MASSBANK.mgf 0.728596 5520.0 0 286424.0 7 116.046 521.201 -1 temp/spectra_filtered.mgf3670 1 Massbank:PR307949 Lariciresinol ESI qTof Isolated Massbank Massbank M+HCOO 405.155 0.0 1 N/A N/A COC1=C(O)C=CC(CC2COC(C2CO)C2=CC(OC)=C(O)C=C2)=C1 1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3 N/A 3 Negative MASSBANK 405.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H24O6 MHXCIKYXNYCMHY-UHFFFAOYSA-N MHXCIKYXNYCMHY Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Lignans Furanoid lignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005744713 CCMSLIB00000845890 7677 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.728099 17790.0 0 86669.7 10 61.9802 653.151 -1 temp/spectra_filtered.mgf7677 1 NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 715.131 716.138 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5 InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 715.131 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845890 CCMSLIB00005749475 11695 spectra_filtered.mgf MASSBANK.mgf 0.727858 4270.0 0 2.81203 4 0.00158691 564.328 -1 temp/spectra_filtered.mgf11695 1 Massbank:PR309158 LPC 18:2 ESI qTof Isolated Massbank Massbank M+HCOO 564.33 0.0 1 N/A N/A O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3 N/A 3 Negative MASSBANK 564.33 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SPJFYYJXNPEZDW-UHFFFAOYSA-N SPJFYYJXNPEZDW Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005749475 CCMSLIB00005738501 10529 spectra_filtered.mgf MASSBANK.mgf 0.727621 11030.0 0 116564.0 5 45.9649 440.298 -1 temp/spectra_filtered.mgf10529 1 Massbank:RP029713 N-Oleyl-Leucine|N-oleoyl leucine|(2S)-4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid ESI qTof Isolated Massbank Massbank M-H 394.333 0.0 1 N/A N/A CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O 1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)(H,27,28)/b12-11-/t22-/m0/s1 N/A 3 Negative MASSBANK 394.333 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C24H45NO3 UMOAAMQGRRCHPA-GJCOWUBNSA-N UMOAAMQGRRCHPA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005738501 CCMSLIB00012404713 8692 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.72726 10920.0 0 282537.0 5 202.05 513.08 -1 temp/spectra_filtered.mgf8692 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404713 CCMSLIB00005741351 7701 spectra_filtered.mgf MASSBANK.mgf 0.727143 5270.0 0 219989.0 6 134.005 743.151 -1 temp/spectra_filtered.mgf7701 1 Massbank:PR306387 Quercetin-3-O-rutinoside ESI qTof Isolated Massbank Massbank M-H 609.146 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 N/A 3 Negative MASSBANK 609.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O16 IKGXIBQEEMLURG-UHFFFAOYSA-N IKGXIBQEEMLURG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005741351 CCMSLIB00004720157 4023 spectra_filtered.mgf MONA.mgf 0.726989 6930.0 0 114618.0 4 67.9857 661.137 -1 temp/spectra_filtered.mgf4023 1 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF002321 [M-H]- 593.151 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 N/A 3 negative MONA 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H30O15 MGYBYJXAXUBTQF-FOBVWLSUSA-N MGYBYJXAXUBTQF Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004720157 CCMSLIB00005747016 3180 spectra_filtered.mgf MASSBANK.mgf 0.726777 5610.0 0 64007.7 5 26.063 381.122 -1 temp/spectra_filtered.mgf3180 1 Massbank:PR309344 Licodione base + 2Prenyl ESI qTof Isolated Massbank Massbank M-H 407.185 0.0 1 N/A N/A O=C(C=C(O)C=1C=CC(O)=C(C=1)CC=C(C)C)C=2C=C(C(O)=CC=2(O))CC=C(C)C 1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-14,26-28,30H,7-8H2,1-4H3 N/A 3 Negative MASSBANK 407.185 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H28O5 FFPFIAFZJXSGDK-UHFFFAOYSA-N FFPFIAFZJXSGDK Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Flavonoids Chalcones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005747016 CCMSLIB00004710949 13152 spectra_filtered.mgf MONA.mgf 0.726744 8280.0 0 420886.0 6 156.19 527.288 -1 temp/spectra_filtered.mgf13152 1 (2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF019886 [M-H]- 371.098 0.0 1 N/A N/A O=C(OCC(O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 InChI=1S/C16H20O10/c17-9(6-24-15(23)8-4-2-1-3-5-8)7-25-16-12(20)10(18)11(19)13(26-16)14(21)22/h1-5,9-13,16-20H,6-7H2,(H,21,22)/t9?,10-,11-,12+,13-,16+/m0/s1 N/A 3 negative MONA 371.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H20O10 DLZMKPZOEYKXHQ-MQCRQNCBSA-N DLZMKPZOEYKXHQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004710949 CCMSLIB00000846972 1431 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.726486 4820.0 0 22673.8 5 11.9513 515.145 -1 temp/spectra_filtered.mgf1431 1 NCGC00385218-01!7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+Cl 527.096 492.127 1 n/a n/a COC1=CC(=CC(OC)=C1O)C2=CC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3O2 InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 527.096 UPDATE-SINGLE-ANNOTATED-GOLD Gold C23H24O12 FLSOTPIEFVBPBU-LDBVRRDLSA-N FLSOTPIEFVBPBU Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000846972 CCMSLIB00004683268 11337 spectra_filtered.mgf SUMNER.mgf 0.725752 8660.0 0 1394.39 7 1.00586 722.367 -1 temp/spectra_filtered.mgf11337 1 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV LC-ESI impact HD Isolated Sumner Sumner M-H 721.361 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 721.361 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:CCMSLIB00004683268 CCMSLIB00012404715 8740 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.724245 29660.0 0 318914.0 8 228.065 487.065 -1 temp/spectra_filtered.mgf8740 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404715 CCMSLIB00012725772 6487 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.724187 930.0 0 165900.0 4 32.0269 161.023 -1 temp/spectra_filtered.mgf6487 1 Trans ferulic acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 193.05 194.19 1 537-98-4 3 Negative GNPS-LIBRARY 193.05 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:CCMSLIB00012725772 CCMSLIB00004718743 4221 spectra_filtered.mgf MONA.mgf 0.724156 5530.0 0 124562.0 4 94.0699 661.134 -1 temp/spectra_filtered.mgf4221 1 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001118 [M-H]- 755.204 0.0 1 N/A N/A C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 N/A 3 negative MONA 755.204 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H40O20 FYJOVKRHRUYSLY-QDSFYBSMSA-N FYJOVKRHRUYSLY Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004718743 CCMSLIB00005746536 9900 spectra_filtered.mgf MASSBANK.mgf 0.723688 10640.0 0 141710.0 5 84.0557 677.207 -1 temp/spectra_filtered.mgf9900 1 Massbank:PR305994 Cyanidin-3-O-rutinoside ESI qTof Isolated Massbank Massbank M-2H 593.151 0.0 1 N/A N/A CC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O 1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1 N/A 3 Negative MASSBANK 593.151 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A USNPULRDBDVJAO-UHFFFAOYSA-O USNPULRDBDVJAO Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746536 CCMSLIB00000845756 8476 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.723364 6740.0 0 64153.4 10 46.0074 671.139 -1 temp/spectra_filtered.mgf8476 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00005777834 2376 spectra_filtered.mgf MASSBANK.mgf 0.722928 6550.0 0 372852.0 6 192.064 707.184 -1 temp/spectra_filtered.mgf2376 1 Massbank:FIO00935 Cynarine ESI qTof Isolated Massbank Massbank M-H 515.12 0.0 1 N/A N/A Oc(c1)c(O)cc(C=CC(=O)O[C@@H]([C@@H](O)2)C[C@@](OC(=O)C=Cc(c3)cc(O)c(O)c3)(C(O)=O)C[C@@H](O)2)c1 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 N/A 3 Negative MASSBANK 515.12 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H24O12 YDDUMTOHNYZQPO-GCBRTHAASA-N YDDUMTOHNYZQPO Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005777834 CCMSLIB00004683268 12312 spectra_filtered.mgf SUMNER.mgf 0.722428 7040.0 0 5594.15 7 4.0354 725.396 -1 temp/spectra_filtered.mgf12312 1 Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV LC-ESI impact HD Isolated Sumner Sumner M-H 721.361 0.0 1 N/A N/A N/A N/A N/A 3 Negative SUMNER 721.361 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:CCMSLIB00004683268 CCMSLIB00006564878 3394 spectra_filtered.mgf BMDMS-NP.mgf 0.720742 9040.0 0 527748.0 4 142.022 411.132 -1 temp/spectra_filtered.mgf3394 1 ellipticine ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 269.11 246.116 1 N/A N/A N=1C=CC=2C(C1)=C(C=3C=4C=CC=CC4NC3C2C)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 N/A 1 Positive BMDMS-NP 269.11 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H14N2 CTSPAMFJBXKSOY-UHFFFAOYSA-N CTSPAMFJBXKSOY Organoheterocyclic compounds Indoles and derivatives Carbazoles Tryptophan alkaloids Carboline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006564878 CCMSLIB00005740955 13330 spectra_filtered.mgf MASSBANK.mgf 0.720506 5650.0 0 899111.0 4 292.294 617.386 -1 temp/spectra_filtered.mgf13330 1 Massbank:PR309357 Coumaroyl Hexoside (isomer of 691, 692) ESI qTof Isolated Massbank Massbank M-H 325.092 0.0 1 N/A N/A O=C(OC1OC(CO)C(O)C(O)C1(O))C=CC2=CC=C(O)C=C2 1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2 N/A 3 Negative MASSBANK 325.092 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H18O8 DSNCQKUYZOSARM-UHFFFAOYSA-N DSNCQKUYZOSARM Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740955 CCMSLIB00003136357 8530 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.719079 6810.0 0 960613.0 4 416.052 849.163 -1 temp/spectra_filtered.mgf8530 1 Spectral Match to Genistin from NIST14 ESI Ion Trap Isolated Data from Rolf Mueller Data deposited by thho M+H 433.111 432.106 1 529599 N/A C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 433.111 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H20O10 ZCOLJUOHXJRHDI-CMWLGVBASA-N ZCOLJUOHXJRHDI Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Isoflavonoids Isoflavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136357 CCMSLIB00004722172 4995 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.7187 22180.0 0 114.74 4 0.0350037 305.105 -1 temp/spectra_filtered.mgf4995 1 12-Hydroxyjasmonate sulfate LC-ESI Orbitrap Commercial Ales Svatos Riya Menezes M-H 305.07 0.0 1 3 Negative GNPS-LIBRARY 305.07 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:CCMSLIB00004722172 CCMSLIB00012326970 11239 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.718241 1650.0 0 346723.0 4 103.007 194.081 -1 temp/spectra_filtered.mgf11239 1 ID-8 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 297.088 298.095 1 N/A N/A COc1ccc(-n2c(C)c([N+](=O)[O-])c3c2cc(O)cc3)cc1 InChI=1S/C16H14N2O4/c1-10-16(18(20)21)14-8-5-12(19)9-15(14)17(10)11-3-6-13(22-2)7-4-11/h3-9,19H,1-2H3 VVZNWYXIOADGSW-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 297.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A VVZNWYXIOADGSW-UHFFFAOYSA-N VVZNWYXIOADGSW Organoheterocyclic compounds Pyrroles Substituted pyrroles N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012326970 CCMSLIB00005740566 7834 spectra_filtered.mgf MASSBANK.mgf 0.717988 2880.0 0 242587.0 4 59.9488 307.072 -1 temp/spectra_filtered.mgf7834 1 Massbank:PR301263 Ellipticine ESI qTof Isolated Massbank Massbank M+H 247.123 0.0 1 N/A N/A CC1=C2NC3=CC=CC=C3C2=C(C)C2=CN=CC=C12 1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 N/A 3 Positive MASSBANK 247.123 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H14N2 CTSPAMFJBXKSOY-UHFFFAOYSA-N CTSPAMFJBXKSOY Organoheterocyclic compounds Indoles and derivatives Carbazoles Tryptophan alkaloids Carboline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740566 CCMSLIB00000845756 8219 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0.716311 18660.0 0 8437.73 11 6.05109 711.095 -1 temp/spectra_filtered.mgf8219 1 NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M-H 717.146 718.153 1 n/a n/a OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31?,32?/m1/s1 N/A 1 negative GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-FTNWOIIGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000845756 CCMSLIB00012319818 10010 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.715153 5160.0 0 211965.0 7 152.01 565.136 -1 temp/spectra_filtered.mgf10010 1 Salvianolic acid B ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 717.146 718.153 1 N/A N/A O=C(/C=C/c1c2c(c(O)cc1)O[C@H](c1cc(O)c(O)cc1)[C@H]2C(=O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 SNKFFCBZYFGCQN-VWUOOIFGSA-N 1 Negative MSNLIB-NEGATIVE 717.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H30O16 SNKFFCBZYFGCQN-VWUOOIFGSA-N SNKFFCBZYFGCQN N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012319818 CCMSLIB00004709772 11576 spectra_filtered.mgf MONA.mgf 0.714243 3530.0 0 259801.0 4 109.943 313.237 -1 temp/spectra_filtered.mgf11576 1 Kuwanon C N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018709 [M+H]+ 423.18 0.0 1 N/A N/A CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 N/A 3 positive MONA 423.18 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C25H26O6 UWQYBLOHTQWSQD-UHFFFAOYSA-N UWQYBLOHTQWSQD Phenylpropanoids and polyketides Flavonoids Flavones Flavonoids Flavones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709772 CCMSLIB00005739020 5328 spectra_filtered.mgf MASSBANK.mgf 0.712752 8150.0 0 1016930.0 5 182.066 361.101 -1 temp/spectra_filtered.mgf5328 1 Massbank:PR309377 trans-Caffeic acid ESI qTof Isolated Massbank Massbank M-H 179.035 0.0 1 N/A N/A O=C(O)C=CC1=CC=C(O)C(O)=C1 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) N/A 3 Negative MASSBANK 179.035 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H8O4 QAIPRVGONGVQAS-UHFFFAOYSA-N QAIPRVGONGVQAS Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739020 CCMSLIB00004692396 6022 spectra_filtered.mgf MONA.mgf 0.7116 5340.0 0 3.52276 10 0.00189209 537.102 -1 temp/spectra_filtered.mgf6022 1 4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001333 [M-H]- 537.104 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+ N/A 3 negative MONA 537.104 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H22O12 UJZQBMQZMKFSRV-XBXARRHUSA-N UJZQBMQZMKFSRV N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692396 CCMSLIB00005746967 9198 spectra_filtered.mgf MASSBANK.mgf 0.711322 4730.0 0 492216.0 9 162.053 491.284 -1 temp/spectra_filtered.mgf9198 1 Massbank:PR309108 FA 18:1+3O ESI qTof Isolated Massbank Massbank M-H 329.231 0.0 1 N/A N/A O=C(O)CCCCCCCC(O)C=CC(O)C(O)CCCCC 1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23) N/A 3 Negative MASSBANK 329.231 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H34O5 MDIUMSLCYIJBQC-UHFFFAOYSA-N MDIUMSLCYIJBQC Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Octadecanoids Other Octadecanoids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746967 CCMSLIB00005745558 11582 spectra_filtered.mgf MASSBANK.mgf 0.711241 4440.0 0 3164.19 6 2.01343 638.329 -1 temp/spectra_filtered.mgf11582 1 Massbank:PR309168 Hexosyl LPE 18:3 ESI qTof Isolated Massbank Massbank M-H 636.316 0.0 1 N/A N/A CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)OC(CO)COP(O)(=O)OCCNC1OC(CO)C(O)C(O)C1O 1S/C29H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)41-23(20-31)22-40-43(37,38)39-19-18-30-29-28(36)27(35)26(34)24(21-32)42-29/h3-4,6-7,9-10,23-24,26-32,34-36H,2,5,8,11-22H2,1H3,(H,37,38)/b4-3+,7-6+,10-9+ N/A 3 Negative MASSBANK 636.316 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C29H52NO12P QFDVZERXJLVROF-IUQGRGSQSA-N QFDVZERXJLVROF Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycerophospholipids Glycerophosphoethanolamines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005745558 CCMSLIB00006681185 6095 spectra_filtered.mgf MONA.mgf 0.710027 4910.0 0 1139560.0 4 188.092 353.148 -1 temp/spectra_filtered.mgf6095 1 2-(4-HYDROXYPHENYL)PROPIONIC ACID ESI qTof isolated MoNA MoNA:MoNA035419 M-H 165.056 0.0 1 N/A N/A CC(C1=CC=C(C=C1)O)C(=O)O """InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)""" N/A 3 negative MONA 165.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H10O3 ZHMMPVANGNPCBW-UHFFFAOYSA-N ZHMMPVANGNPCBW N/A N/A N/A Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006681185 CCMSLIB00012410345 5535 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.709762 10920.0 0 6482.1 5 2.0163 309.04 -1 temp/spectra_filtered.mgf5535 1 KS IV ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 311.056 312.063 1 N/A N/A O=C(O)c1cc(-c2cc(O)c(O)cc2)c2cc(O)c(O)cc2c1 InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) ZSKDVJYWOHBGNI-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 311.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H12O6 ZSKDVJYWOHBGNI-UHFFFAOYSA-N ZSKDVJYWOHBGNI Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012410345 CCMSLIB00004715867 6512 spectra_filtered.mgf MONA.mgf 0.709561 7880.0 0 79215.0 5 27.9699 381.058 -1 temp/spectra_filtered.mgf6512 1 (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF024804 [M-H]- 353.088 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 N/A 3 negative MONA 353.088 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H18O9 GYFFKZTYYAFCTR-JUHZACGLSA-N GYFFKZTYYAFCTR Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004715867 CCMSLIB00004711745 12121 spectra_filtered.mgf MONA.mgf 0.709303 4350.0 0 3233.05 7 0.950989 293.195 -1 temp/spectra_filtered.mgf12121 1 1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF020682 [M-H]- 294.146 0.0 1 N/A N/A CC(CC12CCCN1C(=O)C1CCCN1C2=O)OC(=N)O InChI=1S/C14H21N3O4/c1-9(21-13(15)20)8-14-5-3-7-17(14)11(18)10-4-2-6-16(10)12(14)19/h9-10H,2-8H2,1H3,(H2,15,20) N/A 3 negative MONA 294.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H21N3O4 LZRMGGWCVAVBJA-UHFFFAOYSA-N LZRMGGWCVAVBJA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Ornithine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004711745 CCMSLIB00012428590 7230 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.709282 4700.0 0 260389.0 5 82.0412 397.113 -1 temp/spectra_filtered.mgf7230 1 gentisic acid 5-O-beta-glucoside ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 315.072 316.079 1 N/A N/A O=C(O)c1c(O)ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 CBTFERBMQQAROP-BZNQNGANSA-N 1 Negative MSNLIB-NEGATIVE 315.072 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H16O9 CBTFERBMQQAROP-BZNQNGANSA-N CBTFERBMQQAROP Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenolic acids (C6-C1) Simple phenolic acids Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012428590 CCMSLIB00005739225 5014 spectra_filtered.mgf MASSBANK.mgf 0.708477 4980.0 0 238789.0 4 68.0732 353.15 -1 temp/spectra_filtered.mgf5014 1 Massbank:PR306071 Sakuranetin ESI qTof Isolated Massbank Massbank M-H 285.077 0.0 1 N/A N/A COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1 1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 N/A 3 Negative MASSBANK 285.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H14O5 DJOJDHGQRNZXQQ-UHFFFAOYSA-N DJOJDHGQRNZXQQ Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Flavonoids Flavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005739225 CCMSLIB00004696008 7958 spectra_filtered.mgf MONA.mgf 0.708215 21230.0 0 410305.0 4 208.056 715.131 -1 temp/spectra_filtered.mgf7958 1 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF004945 [M+Na]+ 507.075 0.0 1 N/A N/A O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2 N/A 3 positive MONA 507.075 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H20O14 LYGRISUQIZNHGM-UHFFFAOYSA-N LYGRISUQIZNHGM N/A N/A N/A Phenolic acids (C6-C1) Gallotannins Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004696008 CCMSLIB00005467770 9530 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.707284 5040.0 0 25371.2 8 10.0267 385.173 -1 temp/spectra_filtered.mgf9530 1 Tsangane L 3-glucoside LC-ESI qTof Isolated Claudia Maier Armando Alcazar M+Na-2H 395.2 0.0 1 3 Negative GNPS-LIBRARY 395.2 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:CCMSLIB00005467770 CCMSLIB00012429415 3968 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.7068 1910.0 0 29915.1 5 12.0003 413.145 -1 temp/spectra_filtered.mgf3968 1 NCGC00385728-01 ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 401.145 402.153 1 N/A N/A OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1 ONUWJUACWORIMJ-NWQIESHVSA-N 1 Negative MSNLIB-NEGATIVE 401.145 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H26O10 ONUWJUACWORIMJ-NWQIESHVSA-N ONUWJUACWORIMJ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012429415 CCMSLIB00012725736 7363 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.706383 7400.0 0 38832.5 5 20.0042 535.143 -1 temp/spectra_filtered.mgf7363 1 3,5-Di-caffeoylquinic acid LC-ESI qTof Commercial AGR274 Bioactive Ingredients Lab, University of Granada, Spain A. Fernandez-Ochoa M-H 515.139 0.0 1 2450-53-5 3 Negative GNPS-LIBRARY 515.139 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:CCMSLIB00012725736 CCMSLIB00004692297 3843 spectra_filtered.mgf MONA.mgf 0.706278 4920.0 0 495788.0 6 178.026 537.103 -1 temp/spectra_filtered.mgf3843 1 rosmarinic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF001234 [M-H]- 359.077 0.0 1 N/A N/A O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004692297 CCMSLIB00003138502 9151 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.70598 5120.0 0 507166.0 4 173.999 517.079 -1 temp/spectra_filtered.mgf9151 1 Spectral Match to Rosmarinic acid from NIST14 ESI HCD Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 343.08 0.0 1 20283925 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 343.08 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:CCMSLIB00003138502 CCMSLIB00006679833 5051 spectra_filtered.mgf MONA.mgf 0.705003 5170.0 0 451299.0 6 162.051 521.128 -1 temp/spectra_filtered.mgf5051 1 ROSMARINIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA038091 M-H 359.077 0.0 1 N/A N/A C1=C(/C=C/C(=O)O[C@H](CC2=CC=C(C(=C2)O)O)C(=O)O)C=C(C(=C1)O)O """InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1""" N/A 3 negative MONA 359.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O8 DOUMFZQKYFQNTF-WUTVXBCWSA-N DOUMFZQKYFQNTF Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679833 CCMSLIB00004717290 8053 spectra_filtered.mgf MONA.mgf 0.704662 6970.0 0 1297660.0 4 231.032 409.069 -1 temp/spectra_filtered.mgf8053 1 Xanthopterin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026227 [M-H]- 178.037 0.0 1 N/A N/A N=c1nc(O)c2[nH]c(=O)cnc2[nH]1 InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) N/A 3 negative MONA 178.037 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H5N5O2 VURKRJGMSKJIQX-UHFFFAOYSA-N VURKRJGMSKJIQX Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Pseudoalkaloids pteridine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004717290 CCMSLIB00012254348 12863 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.704376 3310.0 0 118.041 4 0.0346069 293.211 -1 temp/spectra_filtered.mgf12863 1 6-Gingerol LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 293.176 294.183 1 N/A N/A CCCCCC(O)CC(=O)CCc1cc(OC)c(O)cc1 """InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1""" NLDDIKRKFXEWBK-AWEZNQCLSA-N 1 Positive PRIVATE-LIB 293.176 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H26O4 NLDDIKRKFXEWBK-UHFFFAOYSA-N NLDDIKRKFXEWBK Benzenoids Phenols Methoxyphenols mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012254348 CCMSLIB00006681661 1527 spectra_filtered.mgf MONA.mgf 0.70416 940.0 0 131008.0 4 34.9887 232.084 -1 temp/spectra_filtered.mgf1527 1 INOSINE ESI qTof isolated MoNA MoNA:MoNA034077 M-H 267.073 0.0 1 N/A N/A C([C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)O)O1)O)O)O """InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1""" N/A 3 negative MONA 267.073 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N UGQMRVRMYYASKQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006681661 CCMSLIB00012424736 9325 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.703926 7490.0 0 428127.0 5 152.017 507.092 -1 temp/spectra_filtered.mgf9325 1 ethyl 3-amino-4-(2-furyl)-6-(2-thienyl)furo[2,3-b]pyridine-2-carboxylate ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 355.075 354.067 1 N/A N/A CCOC(=O)c1c(N)c2c(nc(-c3cccs3)cc2-c2ccco2)o1 InChI=1S/C18H14N2O4S/c1-2-22-18(21)16-15(19)14-10(12-5-3-7-23-12)9-11(20-17(14)24-16)13-6-4-8-25-13/h3-9H,2,19H2,1H3 WWMUCNBEECXFOK-UHFFFAOYSA-N 1 Positive MSNLIB-POSITIVE 355.075 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H14N2O4S WWMUCNBEECXFOK-UHFFFAOYSA-N WWMUCNBEECXFOK Organoheterocyclic compounds Furans Furoic acid and derivatives mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012424736 CCMSLIB00012404713 8642 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.703189 6310.0 0 282536.0 6 202.05 513.08 -1 temp/spectra_filtered.mgf8642 1 (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 715.13 716.138 1 N/A N/A O=C(/C=C/c1cc(O)c2oc(-c3cc(O)c(O)cc3)c(C(=O)O[C@H](Cc3cc(O)c(O)cc3)C(=O)O)c2c1)O[C@H](Cc1cc(O)c(O)cc1)C(=O)O InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1 KROVXXIIXUFKOO-NGJWAYPNSA-N 1 Negative MSNLIB-NEGATIVE 715.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C36H28O16 KROVXXIIXUFKOO-NGJWAYPNSA-N KROVXXIIXUFKOO N/A N/A N/A Lignans Neolignans Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012404713 CCMSLIB00012312445 7985 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.702365 10410.0 0 231598.0 5 72.0363 383.077 -1 temp/spectra_filtered.mgf7985 1 caftaric acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 311.041 312.048 1 N/A N/A O=C(/C=C/c1cc(O)c(O)cc1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 SWGKAHCIOQPKFW-JTNORFRNSA-N 1 Negative MSNLIB-NEGATIVE 311.041 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H12O9 SWGKAHCIOQPKFW-JTNORFRNSA-N SWGKAHCIOQPKFW Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012312445 CCMSLIB00012402010 13034 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.701205 16420.0 0 16076.1 5 8.02631 507.296 -1 temp/spectra_filtered.mgf13034 1 NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 499.27 500.277 1 N/A N/A CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC(CCO)COC(=O)/C=C/c1cc(O)c(O)cc1 InChI=1S/C29H40O7/c1-19-11-14-29(3)22(27(34)35)5-4-6-25(29)28(19,2)15-12-21(13-16-30)18-36-26(33)10-8-20-7-9-23(31)24(32)17-20/h5,7-10,17,19,21,25,30-32H,4,6,11-16,18H2,1-3H3,(H,34,35)/b10-8+ UVGRPMWFXIDHJC-CSKARUKUSA-N 1 Negative MSNLIB-NEGATIVE 499.27 UPDATE-SINGLE-ANNOTATED-GOLD Gold C29H40O7 UVGRPMWFXIDHJC-CSKARUKUSA-N UVGRPMWFXIDHJC Lipids and lipid-like molecules Prenol lipids Diterpenoids Diterpenoids Colensane and Clerodane diterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012402010 CCMSLIB00005746116 11230 spectra_filtered.mgf MASSBANK.mgf 0.701182 7280.0 0 0.676887 8 0.000488281 721.362 -1 temp/spectra_filtered.mgf11230 1 Massbank:PR309171 DGMG 18:3 ESI qTof Isolated Massbank Massbank M+HCOO 721.363 0.0 1 N/A N/A O=C(OCC(O)COC2OC(COC1OC(CO)C(O)C(O)C1(O))C(O)C(O)C2(O))CCCCCCCC=CCC=CCC=CCC 1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3 N/A 3 Negative MASSBANK 721.363 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C33H56O14 MPSGDHOYFIUPSO-UHFFFAOYSA-N MPSGDHOYFIUPSO Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Glycerolipids Glycosylmonoacylglycerols Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005746116 nf_output/PNNL-LIPIDS-POSITIVE.mgf.tsv0000644000000000000000000000000114704537054016076 0ustar rootroot nf_output/GNPS-EMBL-MCF.mgf.tsv0000644000000000000000000000000114704537052014772 0ustar rootroot nf_output/filesummary/0000755000000000000000000000000014704537053014144 5ustar rootrootnf_output/filesummary/summaryresult.tsv0000644000000000000000000000000114704537053017625 0ustar rootroot nf_resume_cmd.sh0000644000000000000000000000121114704467665012734 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_parameters.yaml -w /data/nf_data/server/nf_work/a9a85daccf72416486fe75743dc1fc08 -with-report /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a9a85daccf72416486fe75743dc1fc08/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/a9a85daccf72416486fe75743dc1fc08 -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000170314704467665015102 0ustar rootrootcreate_time: 2024-10-18 07:24:39 PDT-0700 description: onosma_sp_1 featurefindingtool: MZMINE fragment_tolerance: '0.02' input_libraries: LIBRARYLOCATION/LC/LIBRARY input_raw_spectra: '' input_supplemental_edges: USERUPLOAD/nklmlc2/Evge/EVGE-BOR-MZIO_edges_msannotation.csv inputfeatures: USERUPLOAD/nklmlc2/Evge/EVGE-BOR-MZIO_quant.csv inputspectra: USERUPLOAD/nklmlc2/Evge/EVGE-BOR-MZIO.mgf library_analog_max_shift: '500' library_analog_search: '1' library_min_cosine: '0.7' library_min_matched_peaks: '4' library_topk: '1' metadata_filename: USERUPLOAD/nklmlc2/Evge/Evge_metadata.csv networking_max_shift: '500' networking_min_cosine: '0.7' networking_min_matched_peaks: '4' normalization: None pm_tolerance: '0.02' precursor_filter: '1' task: a9a85daccf72416486fe75743dc1fc08 topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2024.09.17;WORKFLOW:2024.10.09 workflowname: feature_based_molecular_networking_workflow workflowdisplay.yaml0000644000000000000000000003040214704467665013722 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