flow_filelinking.yaml0000644000000000000000000001213714677272443014006 0ustar rootroot- parameter: inputfeatures target: inputfeatures/fraz90_bcp32_3_quant.csv - parameter: inputspectra target: inputspectra/fraz90_bcp32_3.mgf - parameter: input_libraries target: input_libraries/MMV_POSITIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf - parameter: input_libraries target: input_libraries/BMDMS-NP.mgf - parameter: input_libraries target: input_libraries/MSNLIB-POSITIVE.mgf - parameter: input_libraries target: input_libraries/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 input_libraries/0000755000000000000000000000000014677272443012767 5ustar rootroot././@LongLink0000644000000000000000000000015000000000000011576 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgfinput_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf0000777000000000000000000000000014677272443042153 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar rootrootinput_libraries/PSU-MSMLS.mgf0000777000000000000000000000000014677272443030471 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgfustar rootrootinput_libraries/GNPS-MSMLS.mgf0000777000000000000000000000000014677272443030671 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgfustar rootrootinput_libraries/MCE-DRUG.mgf0000777000000000000000000000000014677272443030077 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MCE-DRUG.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf0000777000000000000000000000000014677272443034215 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgfustar rootrootinput_libraries/GNPS-SCIEX-LIBRARY.mgf0000777000000000000000000000000014677272443033035 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgfustar rootrootinput_libraries/MSNLIB-NEGATIVE.mgf0000777000000000000000000000000014677272443032141 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgfustar rootrootinput_libraries/MASSBANK.mgf0000777000000000000000000000000014677272443030167 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgfustar rootrootinput_libraries/MIADB.mgf0000777000000000000000000000000014677272443027221 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf0000777000000000000000000000000014677272443035561 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgfustar rootrootinput_libraries/BILELIB19.mgf0000777000000000000000000000000014677272443030221 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgfustar rootrootinput_libraries/HCE-CELL-LYSATE-LIPIDS.mgf0000777000000000000000000000000014677272443033763 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgfustar rootrootinput_libraries/XANTHONES-DB.mgf0000777000000000000000000000000014677272443031255 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf0000777000000000000000000000000014677272443034775 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.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.mgf0000777000000000000000000000000014677272443042742 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar rootrootinput_libraries/MMV_NEGATIVE.mgf0000777000000000000000000000000014677272443031433 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgfustar rootrootinput_libraries/NEO-MSMS.mgf0000777000000000000000000000000014677272443030165 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgfustar rootrootinput_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf0000777000000000000000000000000014677272443040157 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgfustar rootrootinput_libraries/HMDB.mgf0000777000000000000000000000000014677272443027015 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgfustar rootrootinput_libraries/MSNLIB-POSITIVE.mgf0000777000000000000000000000000014677272443032241 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgfustar rootrootinput_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf0000777000000000000000000000000014677272443034043 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgfustar rootrootinput_libraries/SUMNER.mgf0000777000000000000000000000000014677272443027613 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgfustar rootrootinput_libraries/CASMI.mgf0000777000000000000000000000000014677272443027261 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgfustar rootrootinput_libraries/PHENOLICSDB.mgf0000777000000000000000000000000014677272443031055 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-MISC.mgf0000777000000000000000000000000014677272443033721 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.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.mgf0000777000000000000000000000000014677272443043042 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar rootrootinput_libraries/GNPS-IOBA-NHC.mgf0000777000000000000000000000000014677272443031343 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgfustar rootrootinput_libraries/MMV_POSITIVE.mgf0000777000000000000000000000000014677272443031533 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgfustar rootrootinput_libraries/UM-NPDC.mgf0000777000000000000000000000000014677272443027677 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgfustar rootrootinput_libraries/GNPS-EMBL-MCF.mgf0000777000000000000000000000000014677272443031347 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgfustar rootrootinput_libraries/BMDMS-NP.mgf0000777000000000000000000000000014677272443030123 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf0000777000000000000000000000000014677272443034275 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgfustar rootrootinput_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf0000777000000000000000000000000014677272443036071 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.mgfustar rootrootinput_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf0000777000000000000000000000000014677272443035615 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgfustar rootrootinput_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf0000777000000000000000000000000014677272443035531 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/BERKELEY-LAB.mgf0000777000000000000000000000000014677272443031165 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgfustar rootrootinput_libraries/CMMC-LIBRARY.mgf0000777000000000000000000000000014677272443031233 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgfustar rootrootinput_libraries/MONA.mgf0000777000000000000000000000000014677272443027055 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgfustar rootrootinput_libraries/LDB_NEGATIVE.mgf0000777000000000000000000000000014677272443031337 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgfustar rootrootinput_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf0000777000000000000000000000000014677272443036557 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgfustar rootrootinput_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf0000777000000000000000000000000014677272443034711 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-N-ACYL-LIPIDS-MASSQL.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf0000777000000000000000000000000014677272443034411 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgfustar rootrootinput_libraries/PNNL-LIPIDS-NEGATIVE.mgf0000777000000000000000000000000014677272443033453 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgfustar rootrootinput_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf0000777000000000000000000000000014677272443035771 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf0000777000000000000000000000000014677272443040223 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgfustar rootrootinput_libraries/GNPS-NIST14-MATCHES.mgf0000777000000000000000000000000014677272443033113 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgfustar rootrootinput_libraries/GNPS-FAULKNERLEGACY.mgf0000777000000000000000000000000014677272443033273 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgfustar rootrootinput_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf0000777000000000000000000000000014677272443035637 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf0000777000000000000000000000000014677272443035221 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf0000777000000000000000000000000014677272443035563 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgfustar rootrootinput_libraries/LDB_POSITIVE.mgf0000777000000000000000000000000014677272443031437 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgfustar rootrootinput_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf0000777000000000000000000000000014677272443034573 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf0000777000000000000000000000000014677272443034773 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgfustar rootrootinput_libraries/MASSBANKEU.mgf0000777000000000000000000000000014677272443030653 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgfustar rootrootinput_libraries/LEAFBOT.mgf0000777000000000000000000000000014677272443027721 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgfustar rootrootinput_libraries/GNPS-LIBRARY.mgf0000777000000000000000000000000014677272443031313 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgfustar rootrootinput_libraries/RESPECT.mgf0000777000000000000000000000000014677272443030003 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgfustar rootrootinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf0000777000000000000000000000000014677272443036771 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgfustar rootrootinput_libraries/ELIXDB-LICHEN-DATABASE.mgf0000777000000000000000000000000014677272443033713 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf0000777000000000000000000000000014677272443034471 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgfustar rootrootinput_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf0000777000000000000000000000000014677272443037043 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgfustar rootrootinput_libraries/IQAMDB.mgf0000777000000000000000000000000014677272443027463 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgfustar rootrootinput_libraries/PNNL-LIPIDS-POSITIVE.mgf0000777000000000000000000000000014677272443033553 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf0000777000000000000000000000000014677272443040123 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgfustar rootrootinput_raw_spectra/0000755000000000000000000000000014677272443013325 5ustar rootrootinput_supplemental_edges/0000755000000000000000000000000014677272443014673 5ustar rootrootinputfeatures/0000755000000000000000000000000014677272443012472 5ustar rootrootinputfeatures/fraz90_bcp32_3_quant.csv0000777000000000000000000000000014677272443034264 2/data/nf_data/useruploads/gerardo.dellasala/BCP32/fraz90_bcp32_3_quant.csvustar rootrootinputspectra/0000755000000000000000000000000014677272443012315 5ustar rootrootinputspectra/fraz90_bcp32_3.mgf0000777000000000000000000000000014677272443031423 2/data/nf_data/useruploads/gerardo.dellasala/BCP32/fraz90_bcp32_3.mgfustar rootrootjob_dag.html0000644000000000000000000002201614677304075012045 0ustar rootroot Nextflow Cytoscape.js with Dagre

Nextflow Cytoscape.js with Dagre

job_parameters.yaml0000644000000000000000000000242114677272443013454 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: 1b1c1180d47d47debeeea7f688d989fb OMETAUSER: gerardo.dellasala create_time: 2024-10-02 09:30:27 PDT-0700 description: bcp32_3 featurefindingtool: MZMINE fragment_tolerance: '0.05' input_libraries: /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/input_libraries input_raw_spectra: NO_FILE input_supplemental_edges: NO_FILE inputfeatures: /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/inputfeatures/fraz90_bcp32_3_quant.csv inputspectra: /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/inputspectra library_analog_search: '1' library_min_cosine: '0.7' library_min_matched_peaks: '4' library_topk: '1' metadata_filename: NO_FILE networking_max_shift: '1999' 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/1b1c1180d47d47debeeea7f688d989fb task: 1b1c1180d47d47debeeea7f688d989fb topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2024.09.17;WORKFLOW:2024.09.30 workflowname: feature_based_molecular_networking_workflow job_report.html0000644000000000000000001373001214677304074012632 0ustar rootroot [dreamy_engelbart] Nextflow Workflow Report

Nextflow workflow report

[dreamy_engelbart]

Workflow execution completed successfully!
Run times
02-Oct-2024 17:08:51 - 02-Oct-2024 17:51:52 (duration: 43m 2s)
  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/1b1c1180d47d47debeeea7f688d989fb/job_parameters.yaml -w /data/nf_data/server/nf_work/1b1c1180d47d47debeeea7f688d989fb -with-report /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_report.html -with-timeline /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/1b1c1180d47d47debeeea7f688d989fb' -c /app/launchserver/nextflow.config
CPU-Hours
3.7
Launch directory
/data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb
Work directory
/data/nf_data/server/nf_work/1b1c1180d47d47debeeea7f688d989fb
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
3e861fa257870802b86f7cf0fee7f4a2
Workflow session
40a9ba4f-b061-4a43-af73-36b218e83720
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.html0000644000000000000000000107714414677304075013135 0ustar rootroot

Processes execution timeline

Launch time:
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metadata_filename/0000755000000000000000000000000014677272443013214 5ustar rootrootnextflow_stdout.log0000644000000000000000000043152414677304100013542 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` [dreamy_engelbart] - revision: 3e861fa257 [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary - [- ] process > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary - [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] 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 > 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 [ 0%] 0 of 1 [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary [ 0%] 0 of 8 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary [ 0%] 0 of 13 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (2) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [6a/a28e39] process > summaryLibrary (44) [ 0%] 0 of 22 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile - [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (3) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [be/675ec5] process > summaryLibrary (60) [ 0%] 0 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [b5/15379f] process > summaryLibrary (32) [ 9%] 6 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [db/87fb3e] process > summaryLibrary (1) [ 15%] 10 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [ed/bec1aa] process > summaryLibrary (27) [ 17%] 11 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [3c/b13b67] process > summaryLibrary (47) [ 21%] 14 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [2a/50ce55] process > summaryLibrary (29) [ 25%] 16 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [7c/966db5] process > summaryLibrary (56) [ 29%] 19 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [d9/db3636] process > summaryLibrary (12) [ 34%] 22 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData - executor > local (67) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [3d/f82593] process > summaryLibrary (52) [ 35%] 23 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [- ] process > createTallRawData [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [b9/09045a] process > summaryLibrary (28) [ 37%] 24 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [98/17ef8b] process > summaryLibrary (17) [ 43%] 28 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [5a/50146b] process > summaryLibrary (53) [ 50%] 32 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [99/410bcb] process > summaryLibrary (35) [ 56%] 36 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [ 0%] 0 of 1 [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [1e/88a9f7] process > summaryLibrary (41) [ 60%] 39 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [87/053cc7] process > summaryLibrary (16) [ 65%] 42 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [50/5cfe93] process > summaryLibrary (3) [ 73%] 47 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [10/abb2ef] process > summaryLibrary (15) [ 76%] 49 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [fb/1c1eeb] process > summaryLibrary (51) [ 78%] 50 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [c3/73b8e9] process > summaryLibrary (4) [ 79%] 51 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [bc/25eaa3] process > summaryLibrary (10) [ 81%] 52 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [6d/9ea7c0] process > summaryLibrary (46) [ 82%] 53 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [af/a2dbfc] process > summaryLibrary (36) [ 87%] 56 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [e6/23cc7c] process > summaryLibrary (7) [ 90%] 58 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [40/f69f91] process > summaryLibrary (26) [ 93%] 60 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [7c/98612c] process > summaryLibrary (34) [ 95%] 61 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [ac/822382] process > summaryLibrary (31) [ 96%] 62 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [ 0%] 0 of 1 executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (70) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [a2/756162] process > librarySearchData (23) [ 0%] 0 of 64 [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (89) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [88/92aafb] process > librarySearchData (22) [ 0%] 0 of 64 [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (105) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d6/17be45] process > librarySearchData (31) [ 0%] 0 of 64 [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (111) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [cb/e32c46] process > librarySearchData (14) [ 0%] 0 of 64 [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (117) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [be/71e387] process > librarySearchData (58) [ 0%] 0 of 64 [- ] process > librarymergeResults - [43/1442d0] process > summaryLibrary (20) [ 98%] 63 of 64 [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (123) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [92/8ba7c6] process > librarySearchData (56) [ 0%] 0 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (136) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [92/8ba7c6] process > librarySearchData (56) [ 0%] 0 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [92/8ba7c6] process > librarySearchData (56) [ 0%] 0 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [1e/fe48b0] process > librarySearchData (47) [ 1%] 1 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [5c/527842] process > librarySearchData (35) [ 3%] 2 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [ef/762e3e] process > librarySearchData (50) [ 6%] 4 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [39/627daa] process > librarySearchData (37) [ 9%] 6 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [ce/d10e72] process > librarySearchData (62) [ 12%] 8 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [cb/e32c46] process > librarySearchData (14) [ 15%] 10 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [6b/f71b00] process > librarySearchData (55) [ 17%] 11 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [ 0%] 0 of 1 [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [09/aea9c9] process > librarySearchData (5) [ 18%] 12 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [f0/90932b] process > librarySearchData (32) [ 20%] 13 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [5d/9fe6ea] process > librarySearchData (9) [ 23%] 15 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [34/0b8268] process > librarySearchData (45) [ 25%] 16 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [e8/8f2dcb] process > librarySearchData (46) [ 26%] 17 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [c2/e9b139] process > librarySearchData (38) [ 28%] 18 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [7f/9645d9] process > librarySearchData (1) [ 31%] 20 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [a6/13e8e3] process > librarySearchData (3) [ 32%] 21 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [53/dbdd37] process > librarySearchData (10) [ 34%] 22 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [cc/86e0d0] process > librarySearchData (11) [ 35%] 23 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [92/8ba7c6] process > librarySearchData (56) [ 37%] 24 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [9f/2d00f6] process > librarySearchData (41) [ 39%] 25 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [02/f01574] process > librarySearchData (12) [ 40%] 26 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [36/6d4302] process > librarySearchData (49) [ 42%] 27 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [e4/333fba] process > librarySearchData (19) [ 43%] 28 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [ca/72fb09] process > librarySearchData (48) [ 45%] 29 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [6d/521f4e] process > librarySearchData (43) [ 46%] 30 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [88/92aafb] process > librarySearchData (22) [ 48%] 31 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [9d/8f6244] process > librarySearchData (20) [ 51%] 33 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [86/1d14c4] process > librarySearchData (8) [ 53%] 34 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [3e/8cd3df] process > librarySearchData (16) [ 54%] 35 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [8b/e69356] process > librarySearchData (28) [ 56%] 36 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d5/3d07cd] process > librarySearchData (36) [ 57%] 37 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [db/eb116c] process > librarySearchData (51) [ 59%] 38 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/c013b1] process > librarySearchData (24) [ 60%] 39 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/57fab3] process > librarySearchData (42) [ 62%] 40 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [be/679a7d] process > librarySearchData (53) [ 64%] 41 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d7/02a24b] process > librarySearchData (30) [ 65%] 42 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [7c/7323e1] process > librarySearchData (34) [ 67%] 43 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [1f/b48e87] process > librarySearchData (54) [ 68%] 44 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [63/fae645] process > librarySearchData (6) [ 70%] 45 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [fb/74dac8] process > librarySearchData (40) [ 71%] 46 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [96/3de4e1] process > librarySearchData (60) [ 73%] 47 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [c2/14d837] process > librarySearchData (64) [ 75%] 48 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [76/09b8ba] process > librarySearchData (2) [ 76%] 49 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [4f/d0cf2d] process > librarySearchData (7) [ 78%] 50 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [b2/6b3b8b] process > librarySearchData (25) [ 79%] 51 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [7c/98acec] process > librarySearchData (52) [ 81%] 52 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [a2/756162] process > librarySearchData (23) [ 82%] 53 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [38/1faa0a] process > librarySearchData (26) [ 84%] 54 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [f6/a12f4d] process > librarySearchData (4) [ 85%] 55 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d6/17be45] process > librarySearchData (31) [ 87%] 56 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [7d/c03668] process > librarySearchData (33) [ 89%] 57 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [b0/96f4b1] process > librarySearchData (63) [ 90%] 58 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [be/71e387] process > librarySearchData (58) [ 92%] 59 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [97/241068] process > librarySearchData (61) [ 93%] 60 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d9/5913a1] process > librarySearchData (18) [ 95%] 61 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [50/9357bb] process > librarySearchData (27) [ 96%] 62 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [d1/668cff] process > librarySearchData (21) [ 98%] 63 of 64 [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [- ] process > librarymergeResults - [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (137) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [- ] process > librarymergeResults [ 0%] 0 of 1 [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (138) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [ 0%] 0 of 1 [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [- ] process > librarygetGNPSAnnotations - [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (139) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1 [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (139) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1 [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (140) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [ 0%] 0 of 1 [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (140) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [ 0%] 0 of 1 [- ] process > createNetworkGraphML - [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [b2/a48b34] process > createNetworkGraphML (1) [ 0%] 0 of 1 [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [b2/a48b34] process > createNetworkGraphML (1) [ 0%] 0 of 1 [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [b2/a48b34] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ executor > local (141) [29/09ae6d] process > filesummary (1) [100%] 1 of 1 ✔ [9d/d099ac] process > quantification_table_reform... [100%] 1 of 1 ✔ [be/bf51e0] process > filter_spectra (1) [100%] 1 of 1 ✔ [78/d61deb] process > librarySearchData (29) [100%] 64 of 64 ✔ [f9/0e9816] process > librarymergeResults [100%] 1 of 1 ✔ [3f/dab1bc] process > summaryLibrary (38) [100%] 64 of 64 ✔ [c1/f7e32f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [3a/703bd3] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [14/907015] process > calculatePairs (1) [100%] 1 of 1 ✔ [22/c2b1e3] process > filterNetwork (1) [100%] 1 of 1 ✔ [a3/f9d8b7] process > createMetadataFile (1) [100%] 1 of 1 ✔ [82/836967] process > calculateGroupings (1) [100%] 1 of 1 ✔ [ee/301688] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [b2/a48b34] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ [64/ac022d] process > createTallRawData (1) [100%] 1 of 1 ✔ Completed at: 02-Oct-2024 17:51:57 Duration : 43m 5s CPU hours : 3.7 Succeeded : 141 nf_cmd.sh0000644000000000000000000000120114677272443011350 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_parameters.yaml -w /data/nf_data/server/nf_work/1b1c1180d47d47debeeea7f688d989fb -with-report /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_report.html -with-timeline /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_dag.html -with-weblog http://localhost:4000/nf_weblog/1b1c1180d47d47debeeea7f688d989fb -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014677304047011613 5ustar rootrootnf_output/UM-NPDC.mgf.tsv0000644000000000000000000000000114677277111014154 0ustar rootroot nf_output/PSU-MSMLS.mgf.tsv0000644000000000000000000000000114677277105014454 0ustar rootroot nf_output/ELIXDB-LICHEN-DATABASE.mgf.tsv0000644000000000000000000000000114677277113016164 0ustar rootroot nf_output/MASSBANKEU.mgf.tsv0000644000000000000000000000000114677277114014545 0ustar rootroot nf_output/BERKELEY-LAB.mgf.tsv0000644000000000000000000000000114677277116014714 0ustar rootroot nf_output/library_intermediate/0000755000000000000000000000000014677303761016013 5ustar rootrootnf_output/library_intermediate/merged_results.tsv0000644000000000000000000020155314677303761021603 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 94 spectra_filtered.mgf *..* :1521 26 -1 0 718.54 1 0.959633 0 0 246529.0 2621800.0 PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid M+H GNPS-IOBA-NHC temp/spectra_filtered.mgf94 -1 GNPS-IOBA-NHC.mgf 2.63324 15 0 0.00189209 718.538 0 CCMSLIB00005724089 46 spectra_filtered.mgf *..* :1403 24 -1 0 690.509 1 0.921552 0 0 49120.1 364700.0 PE(16:0_16:1) - (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid M+H GNPS-IOBA-NHC temp/spectra_filtered.mgf46 -1 GNPS-IOBA-NHC.mgf 78327.1 12 0 54.0856 636.423 0 CCMSLIB00005724087 417 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.920403 0 0 19744700.0 7613900.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf417 -1 MASSBANK.mgf 13711.0 38 0 14.0218 1036.69 0 CCMSLIB00005727802 432 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.916879 0 0 19744700.0 2597600.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf432 -1 MASSBANK.mgf 19530.8 37 0 19.9736 1042.64 0 CCMSLIB00005727802 18 spectra_filtered.mgf *..* :9415 9415 -1 0 684.578 1 0.916865 0 0 594209.0 32100.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf18 -1 PNNL-LIPIDS-POSITIVE.mgf 81949.1 5 0 56.1006 628.477 0 CCMSLIB00010072377 395 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.916799 0 0 37035500.0 4563800.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf395 -1 MASSBANK.mgf 15463.5 37 0 16.0308 1020.66 0 CCMSLIB00005727067 472 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.916743 0 0 37035500.0 4264600.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf472 -1 MASSBANK.mgf 27041.1 37 0 28.0332 1064.72 0 CCMSLIB00005727067 377 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.914748 0 0 19744700.0 1657700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf377 -1 MASSBANK.mgf 41110.3 37 0 42.0423 980.628 0 CCMSLIB00005727802 85 spectra_filtered.mgf *..* :80 1528 -1 0 570.46 1 0.908844 0 0 290.113 501600.0 4-aminobutanoic acid_dodecanoic acid [2M]+ CMMC-LIBRARY temp/spectra_filtered.mgf85 -1 CMMC-LIBRARY.mgf 231526.0 11 0 132.077 702.537 0 CCMSLIB00012472783 399 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.907913 0 0 19744700.0 677600.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf399 -1 MASSBANK.mgf 7.34091 38 0 0.00750732 1022.68 0 CCMSLIB00005727802 386 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.905196 0 0 19744700.0 3145000.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf386 -1 MASSBANK.mgf 13699.8 36 0 14.0104 1008.66 0 CCMSLIB00005727802 397 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.904998 0 0 37035500.0 573800.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf397 -1 MASSBANK.mgf 13554.0 35 0 14.0513 1022.64 0 CCMSLIB00005727067 25 spectra_filtered.mgf *..* :913 2686 -1 0 459.28 1 0.901283 0 0 208503.0 442300.0 Spectral Match to Decaethylene glycol from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf25 -1 GNPS-NIST14-MATCHES.mgf 368445.0 18 0 169.22 628.5 0 CCMSLIB00003137173 437 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.898224 0 0 19744700.0 428500.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf437 -1 MASSBANK.mgf 27379.3 36 0 27.9999 1050.67 0 CCMSLIB00005727802 438 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.896794 0 0 19744700.0 532800.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf438 -1 MASSBANK.mgf 27379.3 37 0 27.9999 1050.67 0 CCMSLIB00005727802 8 spectra_filtered.mgf *..* :80 1528 -1 0 570.46 1 0.895151 0 0 290.113 377400.0 4-aminobutanoic acid_dodecanoic acid [2M]+ CMMC-LIBRARY temp/spectra_filtered.mgf8 -1 CMMC-LIBRARY.mgf 77172.2 11 0 44.0237 614.484 0 CCMSLIB00012472783 7 spectra_filtered.mgf *..* :80 1528 -1 0 570.46 1 0.895151 0 0 290.113 377400.0 4-aminobutanoic acid_dodecanoic acid [2M]+ CMMC-LIBRARY temp/spectra_filtered.mgf7 -1 CMMC-LIBRARY.mgf 77133.2 11 0 44.0014 614.461 0 CCMSLIB00012472783 68 spectra_filtered.mgf *..* :80 1528 -1 0 570.46 1 0.894096 0 0 290.113 443100.0 4-aminobutanoic acid_dodecanoic acid [2M]+ CMMC-LIBRARY temp/spectra_filtered.mgf68 -1 CMMC-LIBRARY.mgf 154349.0 10 0 88.05 658.51 0 CCMSLIB00012472783 440 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.893875 0 0 19744700.0 1191400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf440 -1 MASSBANK.mgf 27415.8 36 0 28.0373 1050.71 0 CCMSLIB00005727802 409 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.893475 0 0 37035500.0 360000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf409 -1 MASSBANK.mgf 1944.29 37 0 2.01562 1034.67 0 CCMSLIB00005727067 408 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.893475 0 0 37035500.0 360000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf408 -1 MASSBANK.mgf 1942.99 37 0 2.01428 1034.68 0 CCMSLIB00005727067 21 spectra_filtered.mgf *..* :913 2686 -1 0 459.28 1 0.891793 0 0 208503.0 955800.0 Spectral Match to Decaethylene glycol from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf21 -1 GNPS-NIST14-MATCHES.mgf 368400.0 16 0 169.199 628.479 0 CCMSLIB00003137173 20 spectra_filtered.mgf *..* :913 2686 -1 0 459.28 1 0.891793 0 0 208503.0 955800.0 Spectral Match to Decaethylene glycol from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf20 -1 GNPS-NIST14-MATCHES.mgf 368401.0 16 0 169.199 628.479 0 CCMSLIB00003137173 22 spectra_filtered.mgf *..* :913 2686 -1 0 459.28 1 0.889197 0 0 208503.0 577100.0 Spectral Match to Decaethylene glycol from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf22 -1 GNPS-NIST14-MATCHES.mgf 368400.0 16 0 169.199 628.479 0 CCMSLIB00003137173 471 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.886412 0 0 37035500.0 665700.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf471 -1 MASSBANK.mgf 27042.8 36 0 28.035 1064.72 0 CCMSLIB00005727067 398 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.881653 0 0 37035500.0 679000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf398 -1 MASSBANK.mgf 13554.6 36 0 14.0519 1022.64 0 CCMSLIB00005727067 80 spectra_filtered.mgf *..* :9415 9415 -1 0 684.578 1 0.880214 0 0 594209.0 25100.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf80 -1 PNNL-LIPIDS-POSITIVE.mgf 3051.86 5 0 2.08923 682.489 0 CCMSLIB00010072377 401 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.875158 0 0 37035500.0 2220400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf401 -1 MASSBANK.mgf 13518.2 34 0 14.0142 1022.68 0 CCMSLIB00005727067 413 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.875065 0 0 37035500.0 159000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf413 -1 MASSBANK.mgf 34.9718 29 0 0.0362549 1036.65 0 CCMSLIB00005727067 77 spectra_filtered.mgf *..* :1394 1212 -1 0 658.504 1 0.869939 0 0 239.036 358000.0 11-Deoxy-PGE1 [2M-2H2O+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf77 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 21293.4 4 0 14.0218 672.526 0 CCMSLIB00012248169 415 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.864307 0 0 19744700.0 1862400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf415 -1 MASSBANK.mgf 13709.5 37 0 14.0203 1036.69 0 CCMSLIB00005727802 414 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.861281 0 0 37035500.0 2740400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf414 -1 MASSBANK.mgf 35.325 33 0 0.0366211 1036.65 0 CCMSLIB00005727067 400 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.858622 0 0 19744700.0 913900.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf400 -1 MASSBANK.mgf 4.89394 36 0 0.00500488 1022.67 0 CCMSLIB00005727802 93 spectra_filtered.mgf *..* :16042 13964 -1 0 628.505 1 0.853339 0 0 215.407 134700.0 Amafolone [2M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf93 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 140090.0 4 0 88.0471 716.552 0 CCMSLIB00012268277 92 spectra_filtered.mgf *..* :16042 13964 -1 0 628.505 1 0.847417 0 0 215.407 159900.0 Amafolone [2M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf92 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 140089.0 4 0 88.0469 716.552 0 CCMSLIB00012268277 439 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.838949 0 0 37035500.0 676700.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf439 -1 MASSBANK.mgf 13483.2 33 0 13.9779 1050.67 0 CCMSLIB00005727067 436 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.838828 0 0 19744700.0 126200.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf436 -1 MASSBANK.mgf 25444.1 29 0 26.0209 1048.69 0 CCMSLIB00005727802 470 spectra_filtered.mgf *..* :84 84 -1 0 1036.69 1 0.838651 0 0 66792.0 697700.0 [Leu7]-Surfactin_C14i_monomethyl_ester_45019_dereplictor_pv_9.54813e-25 M+H DEREPLICATOR_IDENTIFIED_LIBRARY temp/spectra_filtered.mgf470 -1 DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 27041.5 36 0 28.0337 1064.72 0 CCMSLIB00000577574 387 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.838164 0 0 19744700.0 92800.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf387 -1 MASSBANK.mgf 13700.3 26 0 14.0109 1008.66 0 CCMSLIB00005727802 412 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.837157 0 0 37035500.0 1572000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf412 -1 MASSBANK.mgf 546.36 36 0 0.566406 1036.12 0 CCMSLIB00005727067 43 spectra_filtered.mgf *..* :51922 51922 -1 0 346.213 1 0.832588 0 0 220.633 110900.0 CHEMBL4950191 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf43 -1 MSNLIB-POSITIVE.mgf 837999.0 4 0 290.126 636.339 0 CCMSLIB00012371734 45 spectra_filtered.mgf *..* :51922 51922 -1 0 346.213 1 0.832588 0 0 220.633 110900.0 CHEMBL4950191 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf45 -1 MSNLIB-POSITIVE.mgf 837999.0 4 0 290.126 636.339 0 CCMSLIB00012371734 44 spectra_filtered.mgf *..* :51922 51922 -1 0 346.213 1 0.832588 0 0 220.633 110900.0 CHEMBL4950191 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf44 -1 MSNLIB-POSITIVE.mgf 837999.0 4 0 290.126 636.339 0 CCMSLIB00012371734 42 spectra_filtered.mgf *..* :51922 51922 -1 0 346.213 1 0.832588 0 0 220.633 110900.0 CHEMBL4950191 [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf42 -1 MSNLIB-POSITIVE.mgf 837998.0 4 0 290.126 636.339 0 CCMSLIB00012371734 441 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.830432 0 0 37035500.0 73500.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf441 -1 MASSBANK.mgf 13520.2 23 0 14.0162 1050.71 0 CCMSLIB00005727067 403 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.828786 0 0 19744700.0 546300.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf403 -1 MASSBANK.mgf 1938.42 33 0 1.98236 1024.65 0 CCMSLIB00005727802 287 spectra_filtered.mgf *..* :20855 32854 -1 0 209.045 1 0.827379 0 0 10119.0 132800.0 Massbank:PR309199 Hydroxyferulic acid M-H MASSBANK temp/spectra_filtered.mgf287 -1 MASSBANK.mgf 3115820.0 4 0 651.346 860.391 0 CCMSLIB00005746406 131 spectra_filtered.mgf *..* :1698 1602 -1 0 415.253 1 0.824303 0 0 104562000.0 175200.0 Spectral Match to Nonaethylene glycol from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf131 -1 GNPS-NIST14-MATCHES.mgf 831604.0 13 0 345.326 760.579 0 CCMSLIB00003136089 39 spectra_filtered.mgf *..* :6 3623 -1 0 652.4 1 0.816679 0 0 232403000.0 180100.0 val-leu-pro-val-pro-gln M+H GNPS-LIBRARY temp/spectra_filtered.mgf39 -1 GNPS-LIBRARY.mgf 27601.4 12 0 18.0071 634.393 0 CCMSLIB00004679264 394 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.815547 0 0 37035500.0 76400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf394 -1 MASSBANK.mgf 17371.8 24 0 18.0092 1018.68 0 CCMSLIB00005727067 393 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.815547 0 0 37035500.0 76400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf393 -1 MASSBANK.mgf 17372.9 24 0 18.0103 1018.68 0 CCMSLIB00005727067 190 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.815078 0 0 161.918 51600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf190 -1 MONA.mgf 40275.0 11 0 34.2105 815.214 0 CCMSLIB00004707177 179 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf179 -1 MONA.mgf 40274.6 11 0 34.2102 815.214 0 CCMSLIB00004707177 178 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf178 -1 MONA.mgf 40274.8 11 0 34.2104 815.214 0 CCMSLIB00004707177 180 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf180 -1 MONA.mgf 40274.2 11 0 34.2099 815.214 0 CCMSLIB00004707177 181 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf181 -1 MONA.mgf 40273.9 11 0 34.2096 815.214 0 CCMSLIB00004707177 177 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf177 -1 MONA.mgf 40273.8 11 0 34.2095 815.214 0 CCMSLIB00004707177 176 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf176 -1 MONA.mgf 40273.4 11 0 34.2092 815.215 0 CCMSLIB00004707177 175 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf175 -1 MONA.mgf 40273.5 11 0 34.2093 815.215 0 CCMSLIB00004707177 182 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf182 -1 MONA.mgf 40274.4 11 0 34.21 815.214 0 CCMSLIB00004707177 171 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf171 -1 MONA.mgf 40273.5 11 0 34.2093 815.215 0 CCMSLIB00004707177 173 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf173 -1 MONA.mgf 40273.4 11 0 34.2092 815.215 0 CCMSLIB00004707177 172 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf172 -1 MONA.mgf 40273.5 11 0 34.2093 815.215 0 CCMSLIB00004707177 174 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.813848 0 0 161.918 63900.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf174 -1 MONA.mgf 40273.5 11 0 34.2093 815.215 0 CCMSLIB00004707177 200 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.812125 0 0 161.918 55500.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf200 -1 MONA.mgf 40273.2 10 0 34.209 815.215 0 CCMSLIB00004707177 201 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.812125 0 0 161.918 55500.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf201 -1 MONA.mgf 40272.0 10 0 34.208 815.216 0 CCMSLIB00004707177 455 spectra_filtered.mgf *..* :1 2497 -1 0 1036.69 1 0.811644 0 0 6313220000.0 2887200.0 Surfactin C M+H GNPS-LIBRARY temp/spectra_filtered.mgf455 -1 GNPS-LIBRARY.mgf 17370.3 31 0 18.0076 1054.7 0 CCMSLIB00000531487 299 spectra_filtered.mgf *..* :5908 5908 -1 0 716.523 1 0.810094 0 0 1063960.0 1772100.0 PE(16:0/18:1); [M-H]- C39H75N1O8P1 M-H PNNL-LIPIDS-NEGATIVE temp/spectra_filtered.mgf299 -1 PNNL-LIPIDS-NEGATIVE.mgf 226165.0 4 0 162.052 878.575 0 CCMSLIB00010068872 195 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809822 0 0 161.918 58700.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf195 -1 MONA.mgf 40274.2 12 0 34.2098 815.214 0 CCMSLIB00004707177 212 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf212 -1 MONA.mgf 40272.6 12 0 34.2085 815.216 0 CCMSLIB00004707177 203 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf203 -1 MONA.mgf 40274.7 12 0 34.2103 815.214 0 CCMSLIB00004707177 213 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf213 -1 MONA.mgf 40273.1 12 0 34.2089 815.215 0 CCMSLIB00004707177 211 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf211 -1 MONA.mgf 40272.6 12 0 34.2085 815.216 0 CCMSLIB00004707177 210 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf210 -1 MONA.mgf 40273.9 12 0 34.2096 815.214 0 CCMSLIB00004707177 209 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf209 -1 MONA.mgf 40273.4 12 0 34.2092 815.215 0 CCMSLIB00004707177 208 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf208 -1 MONA.mgf 40273.9 12 0 34.2096 815.214 0 CCMSLIB00004707177 207 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf207 -1 MONA.mgf 40274.0 12 0 34.2097 815.214 0 CCMSLIB00004707177 205 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf205 -1 MONA.mgf 40274.6 12 0 34.2102 815.214 0 CCMSLIB00004707177 204 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf204 -1 MONA.mgf 40274.0 12 0 34.2097 815.214 0 CCMSLIB00004707177 206 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf206 -1 MONA.mgf 40274.4 12 0 34.2101 815.214 0 CCMSLIB00004707177 202 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.809336 0 0 161.918 66100.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf202 -1 MONA.mgf 40274.8 12 0 34.2104 815.214 0 CCMSLIB00004707177 268 spectra_filtered.mgf *..* :28514 40513 -1 0 225.098 1 0.808977 0 0 1265040.0 63800.0 Massbank: Etofylline|7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione M+H MASSBANK temp/spectra_filtered.mgf268 -1 MASSBANK.mgf 2751340.0 4 0 619.322 844.42 0 CCMSLIB00005754065 481 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.808374 0 0 37035500.0 3509700.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf481 -1 MASSBANK.mgf 32749.8 31 0 33.9514 1070.64 0 CCMSLIB00005727067 193 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.807052 0 0 161.918 54700.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf193 -1 MONA.mgf 40273.9 11 0 34.2096 815.214 0 CCMSLIB00004707177 192 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.807052 0 0 161.918 54700.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf192 -1 MONA.mgf 40274.4 11 0 34.2101 815.214 0 CCMSLIB00004707177 191 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.807052 0 0 161.918 54700.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf191 -1 MONA.mgf 40274.2 11 0 34.2098 815.214 0 CCMSLIB00004707177 40 spectra_filtered.mgf *..* :6 3623 -1 0 652.4 1 0.805963 0 0 232403000.0 159500.0 val-leu-pro-val-pro-gln M+H GNPS-LIBRARY temp/spectra_filtered.mgf40 -1 GNPS-LIBRARY.mgf 27601.0 12 0 18.0069 634.393 0 CCMSLIB00004679264 189 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.80548 0 0 161.918 69800.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf189 -1 MONA.mgf 40275.5 12 0 34.2109 815.213 0 CCMSLIB00004707177 429 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.804487 0 0 19744700.0 1089300.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf429 -1 MASSBANK.mgf 17614.8 27 0 18.0141 1040.68 0 CCMSLIB00005727802 109 spectra_filtered.mgf *..* :29192 29192 -1 0 742.539 1 0.802868 0 0 82004.7 513900.0 PE(18:1/18:2); [M+H]+ C41H77N1O8P1 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf109 -1 PNNL-LIPIDS-POSITIVE.mgf 2716.23 5 0 2.01691 740.522 0 CCMSLIB00010100596 41 spectra_filtered.mgf *..* :3157 2751 -1 0 634.452 1 0.802337 0 0 445.253 272200.0 Nonoxynol-9 [M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf41 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.288604 14 0 0.000183105 634.452 0 CCMSLIB00012249708 76 spectra_filtered.mgf *..* :5 1725 -1 0 370.243 1 0.801402 0 0 258744.0 788400.0 PerindoprilErbumine M+H GNPS-SELLECKCHEM-FDA-PART1 temp/spectra_filtered.mgf76 -1 GNPS-SELLECKCHEM-FDA-PART1.mgf 813435.0 5 0 301.169 671.412 0 CCMSLIB00000005946 452 spectra_filtered.mgf *..* :1 2497 -1 0 1036.69 1 0.798392 0 0 6313220000.0 107100.0 Surfactin C M+H GNPS-LIBRARY temp/spectra_filtered.mgf452 -1 GNPS-LIBRARY.mgf 16423.9 19 0 17.0265 1053.72 0 CCMSLIB00000531487 479 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.795032 0 0 37035500.0 1041200.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf479 -1 MASSBANK.mgf 32749.7 32 0 33.9513 1070.64 0 CCMSLIB00005727067 188 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf188 -1 MONA.mgf 40275.1 12 0 34.2106 815.213 0 CCMSLIB00004707177 184 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf184 -1 MONA.mgf 40274.2 12 0 34.2099 815.214 0 CCMSLIB00004707177 186 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf186 -1 MONA.mgf 40274.2 12 0 34.2099 815.214 0 CCMSLIB00004707177 185 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf185 -1 MONA.mgf 40274.2 12 0 34.2099 815.214 0 CCMSLIB00004707177 183 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf183 -1 MONA.mgf 40273.9 12 0 34.2096 815.214 0 CCMSLIB00004707177 187 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.793713 0 0 161.918 71600.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf187 -1 MONA.mgf 40274.2 12 0 34.2099 815.214 0 CCMSLIB00004707177 392 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.793211 0 0 37035500.0 73000.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf392 -1 MASSBANK.mgf 17370.5 22 0 18.0078 1018.68 0 CCMSLIB00005727067 346 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.790803 0 0 37035500.0 245900.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf346 -1 MASSBANK.mgf 109081.0 27 0 113.083 923.607 0 CCMSLIB00005727067 480 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.789951 0 0 37035500.0 2211400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf480 -1 MASSBANK.mgf 32749.9 31 0 33.9515 1070.64 0 CCMSLIB00005727067 458 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.7896 0 0 19744700.0 830200.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf458 -1 MASSBANK.mgf 33203.3 31 0 33.956 1056.63 0 CCMSLIB00005727802 484 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.788552 0 0 37035500.0 1050500.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf484 -1 MASSBANK.mgf 32780.1 30 0 33.9828 1070.67 0 CCMSLIB00005727067 199 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.783247 0 0 161.918 55300.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf199 -1 MONA.mgf 40273.3 10 0 34.2091 815.215 0 CCMSLIB00004707177 198 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.783247 0 0 161.918 55300.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf198 -1 MONA.mgf 40273.4 10 0 34.2092 815.215 0 CCMSLIB00004707177 197 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.783247 0 0 161.918 55300.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf197 -1 MONA.mgf 40273.8 10 0 34.2095 815.214 0 CCMSLIB00004707177 196 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.783247 0 0 161.918 55300.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf196 -1 MONA.mgf 40274.0 10 0 34.2097 815.214 0 CCMSLIB00004707177 194 spectra_filtered.mgf *..* :16114 34577 -1 0 849.424 1 0.781887 0 0 161.918 57500.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid [M+Na]+ MONA temp/spectra_filtered.mgf194 -1 MONA.mgf 40274.0 11 0 34.2097 815.214 0 CCMSLIB00004707177 12 spectra_filtered.mgf *..* :4184 1641 -1 0 515.359 1 0.779773 0 0 1587350.0 235600.0 Spectral Match to p-tert-Octylphenol heptaglycol ether from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf12 -1 GNPS-NIST14-MATCHES.mgf 203892.0 14 0 105.078 620.437 0 CCMSLIB00003136128 457 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.779669 0 0 19744700.0 885700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf457 -1 MASSBANK.mgf 33203.3 32 0 33.956 1056.63 0 CCMSLIB00005727802 72 spectra_filtered.mgf *..* :3400 2781 -1 0 691.46 1 0.773558 0 0 284166.0 127900.0 Spectral Match to p-tert-Octylphenol undecaglycol ether from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf72 -1 GNPS-NIST14-MATCHES.mgf 39044.1 16 0 26.9974 664.463 0 CCMSLIB00003137268 126 spectra_filtered.mgf *..* :1110 4860 -1 0 771.517 1 0.772804 0 0 29423.1 463100.0 PG(18:2_18:2) - [2,3-di[octadeca-9,12-dienoyloxy]propoxy][2,3-dihydroxypropoxy]phosphinic acid M+H GNPS-LIBRARY temp/spectra_filtered.mgf126 -1 GNPS-LIBRARY.mgf 38873.4 5 0 29.9915 741.526 0 CCMSLIB00005436318 114 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf114 -1 MONA.mgf 384889.0 11 0 205.993 741.195 0 CCMSLIB00004709934 113 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf113 -1 MONA.mgf 384888.0 11 0 205.993 741.195 0 CCMSLIB00004709934 112 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf112 -1 MONA.mgf 384888.0 11 0 205.993 741.195 0 CCMSLIB00004709934 115 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf115 -1 MONA.mgf 384890.0 11 0 205.994 741.196 0 CCMSLIB00004709934 110 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf110 -1 MONA.mgf 384890.0 11 0 205.994 741.196 0 CCMSLIB00004709934 111 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.771747 0 0 359.845 54500.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf111 -1 MONA.mgf 384888.0 11 0 205.993 741.195 0 CCMSLIB00004709934 474 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.766733 0 0 19744700.0 23605700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf474 -1 MASSBANK.mgf 44063.9 39 0 45.0628 1067.73 0 CCMSLIB00005727802 59 spectra_filtered.mgf *..* :6 3623 -1 0 652.4 1 0.762372 0 0 232403000.0 146800.0 val-leu-pro-val-pro-gln M+H GNPS-LIBRARY temp/spectra_filtered.mgf59 -1 GNPS-LIBRARY.mgf 6.26817 8 0 0.00408936 652.404 0 CCMSLIB00004679264 58 spectra_filtered.mgf *..* :6 3623 -1 0 652.4 1 0.762372 0 0 232403000.0 146800.0 val-leu-pro-val-pro-gln M+H GNPS-LIBRARY temp/spectra_filtered.mgf58 -1 GNPS-LIBRARY.mgf 18.6174 8 0 0.012146 652.412 0 CCMSLIB00004679264 379 spectra_filtered.mgf *..* :21 21 -1 0 1022.68 1 0.761441 0 0 219944.0 554200.0 [Val7]-Surfactin_C15ai_45009_dereplictor_pv_9.80728e-39 M+H DEREPLICATOR_IDENTIFIED_LIBRARY temp/spectra_filtered.mgf379 -1 DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 41119.0 37 0 42.0516 980.628 0 CCMSLIB00000577511 14 spectra_filtered.mgf *..* :340 340 -1 0 560.289 1 0.761309 0 0 75996.0 418700.0 versicoloritide_A_22810_dereplictor_pv_1.77097e-11 M+H DEREPLICATOR_IDENTIFIED_LIBRARY temp/spectra_filtered.mgf14 -1 DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 110719.0 6 0 62.0347 622.324 0 CCMSLIB00000577830 456 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.761042 0 0 19744700.0 852700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf456 -1 MASSBANK.mgf 33203.5 34 0 33.9562 1056.63 0 CCMSLIB00005727802 491 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.759416 0 0 19744700.0 520000.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf491 -1 MASSBANK.mgf 55797.2 37 0 57.0621 1079.73 0 CCMSLIB00005727802 512 spectra_filtered.mgf *..* :10777 29240 -1 0 267.159 1 0.757561 0 0 212.914 157300.0 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one [M+H]+ MONA temp/spectra_filtered.mgf512 -1 MONA.mgf 3089780.0 4 0 825.464 1092.62 0 CCMSLIB00004701840 492 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.75228 0 0 19744700.0 442800.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf492 -1 MASSBANK.mgf 55798.0 35 0 57.0629 1079.73 0 CCMSLIB00005727802 404 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.744718 0 0 19744700.0 463000.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf404 -1 MASSBANK.mgf 1939.73 30 0 1.9837 1024.65 0 CCMSLIB00005727802 19 spectra_filtered.mgf *..* :9415 9415 -1 0 684.578 1 0.742259 0 0 594209.0 202300.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf19 -1 PNNL-LIPIDS-POSITIVE.mgf 81948.3 5 0 56.1 628.478 0 CCMSLIB00010072377 517 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.738596 0 0 37035500.0 315400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf517 -1 MASSBANK.mgf 55037.8 31 0 57.0571 1093.75 0 CCMSLIB00005727067 384 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.73742 0 0 19744700.0 2518300.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf384 -1 MASSBANK.mgf 27404.7 31 0 28.026 994.644 0 CCMSLIB00005727802 586 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.737145 0 0 37035500.0 483500.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf586 -1 MASSBANK.mgf 96515.3 35 0 100.056 1136.75 0 CCMSLIB00005727067 108 spectra_filtered.mgf *..* :5289 273 -1 0 740.521 1 0.735442 0 0 170014.0 536800.0 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf108 -1 GNPS-NIST14-MATCHES.mgf 818.45 6 0 0.606079 739.915 0 CCMSLIB00003134759 469 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.734628 0 0 37035500.0 118300.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf469 -1 MASSBANK.mgf 27039.7 19 0 28.0317 1064.72 0 CCMSLIB00005727067 519 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.733683 0 0 19744700.0 496300.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf519 -1 MASSBANK.mgf 71475.5 36 0 73.0959 1095.77 0 CCMSLIB00005727802 443 spectra_filtered.mgf *..* :1 2497 -1 0 1036.69 1 0.73218 0 0 6313220000.0 1147100.0 Surfactin C M+H GNPS-LIBRARY temp/spectra_filtered.mgf443 -1 GNPS-LIBRARY.mgf 15429.0 26 0 15.9951 1052.69 0 CCMSLIB00000531487 391 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.732166 0 0 37035500.0 181800.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf391 -1 MASSBANK.mgf 17371.7 26 0 18.009 1018.68 0 CCMSLIB00005727067 453 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.731645 0 0 37035500.0 893900.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf453 -1 MASSBANK.mgf 17322.4 32 0 17.958 1054.65 0 CCMSLIB00005727067 132 spectra_filtered.mgf *..* :97090 97089 -1 0 633.29 1 0.729677 0 0 2118.0 251900.0 N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide [M+Na]+ BMDMS-NP temp/spectra_filtered.mgf132 -1 BMDMS-NP.mgf 202272.0 7 0 128.097 761.387 0 CCMSLIB00006451390 433 spectra_filtered.mgf *..* :97243 97242 -1 0 1024.62 1 0.729301 0 0 283.597 32300.0 CHEBI:182584 [M+NH4]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf433 -1 MSNLIB-POSITIVE.mgf 19555.9 6 0 20.0374 1044.66 0 CCMSLIB00012448495 250 spectra_filtered.mgf *..* :1945 1511 -1 0 330.168 1 0.727149 0 0 221406.0 52000.0 Tyr-C8:0 M+Na ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf250 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 1539450.0 4 0 508.279 838.447 0 CCMSLIB00011434954 249 spectra_filtered.mgf *..* :1945 1511 -1 0 330.168 1 0.727149 0 0 221406.0 52000.0 Tyr-C8:0 M+Na ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf249 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 1539460.0 4 0 508.279 838.447 0 CCMSLIB00011434954 520 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.726501 0 0 19744700.0 480700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf520 -1 MASSBANK.mgf 71474.3 34 0 73.0947 1095.76 0 CCMSLIB00005727802 571 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.725312 0 0 19744700.0 454400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf571 -1 MASSBANK.mgf 96912.3 33 0 99.1093 1121.78 0 CCMSLIB00005727802 572 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.725312 0 0 19744700.0 454400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf572 -1 MASSBANK.mgf 96910.4 33 0 99.1074 1121.78 0 CCMSLIB00005727802 570 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.725312 0 0 19744700.0 454400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf570 -1 MASSBANK.mgf 96899.7 33 0 99.0964 1121.77 0 CCMSLIB00005727802 385 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.723264 0 0 19744700.0 203700.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf385 -1 MASSBANK.mgf 17605.9 27 0 18.005 1004.66 0 CCMSLIB00005727802 499 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.721682 0 0 37035500.0 256100.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf499 -1 MASSBANK.mgf 43464.5 28 0 45.0592 1081.75 0 CCMSLIB00005727067 500 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.721682 0 0 37035500.0 256100.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf500 -1 MASSBANK.mgf 43466.6 28 0 45.0614 1081.75 0 CCMSLIB00005727067 419 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.721006 0 0 37035500.0 482400.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf419 -1 MASSBANK.mgf 1907.43 30 0 1.97742 1038.67 0 CCMSLIB00005727067 402 spectra_filtered.mgf *..* :1 2497 -1 0 1036.69 1 0.720593 0 0 6313220000.0 251300.0 Surfactin C M+H GNPS-LIBRARY temp/spectra_filtered.mgf402 -1 GNPS-LIBRARY.mgf 11609.5 22 0 12.0354 1024.65 0 CCMSLIB00000531487 607 spectra_filtered.mgf *..* :4639 4639 -1 0 228.098 1 0.718108 0 0 106.903 218400.0 2'-deoxycytidine [M+H]+ MSNLIB-POSITIVE temp/spectra_filtered.mgf607 -1 MSNLIB-POSITIVE.mgf 4093360.0 4 0 933.688 1161.79 0 CCMSLIB00012278940 574 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.715895 0 0 19744700.0 700200.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf574 -1 MASSBANK.mgf 97843.5 36 0 100.062 1122.73 0 CCMSLIB00005727802 121 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf121 -1 MONA.mgf 384888.0 10 0 205.993 741.195 0 CCMSLIB00004709934 120 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf120 -1 MONA.mgf 384887.0 10 0 205.992 741.194 0 CCMSLIB00004709934 119 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf119 -1 MONA.mgf 384888.0 10 0 205.993 741.195 0 CCMSLIB00004709934 118 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf118 -1 MONA.mgf 384889.0 10 0 205.993 741.195 0 CCMSLIB00004709934 117 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf117 -1 MONA.mgf 384889.0 10 0 205.993 741.195 0 CCMSLIB00004709934 116 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.715104 0 0 359.845 52600.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf116 -1 MONA.mgf 384889.0 10 0 205.993 741.195 0 CCMSLIB00004709934 50 spectra_filtered.mgf *..* :3909 3909 -1 0 738.625 1 0.712996 0 0 4382180.0 143800.0 DGTSA(16:0/18:1); [M+H]+ C44H84N1O7 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf50 -1 PNNL-LIPIDS-POSITIVE.mgf 132878.0 7 0 98.147 640.478 0 CCMSLIB00010059335 333 spectra_filtered.mgf *..* :10882 10882 -1 0 906.849 1 0.710212 0 0 1385180.0 12100.0 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf333 -1 PNNL-LIPIDS-POSITIVE.mgf 13191.8 4 0 11.963 918.812 0 CCMSLIB00010075540 332 spectra_filtered.mgf *..* :10882 10882 -1 0 906.849 1 0.710212 0 0 1385180.0 12100.0 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf332 -1 PNNL-LIPIDS-POSITIVE.mgf 13192.4 4 0 11.9635 918.812 0 CCMSLIB00010075540 123 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.709711 0 0 359.845 34800.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf123 -1 MONA.mgf 384885.0 8 0 205.991 741.193 0 CCMSLIB00004709934 124 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.709711 0 0 359.845 34800.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf124 -1 MONA.mgf 384887.0 8 0 205.993 741.195 0 CCMSLIB00004709934 122 spectra_filtered.mgf *..* :18871 37334 -1 0 535.202 1 0.709711 0 0 359.845 34800.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol [M+H]+ MONA temp/spectra_filtered.mgf122 -1 MONA.mgf 384888.0 8 0 205.993 741.195 0 CCMSLIB00004709934 16 spectra_filtered.mgf *..* :18847 37310 -1 0 486.215 1 0.708983 0 0 194.93 132000.0 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione [M-H]- MONA temp/spectra_filtered.mgf16 -1 MONA.mgf 290268.0 4 0 141.133 627.348 0 CCMSLIB00004709910 425 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.707851 0 0 19744700.0 442900.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf425 -1 MASSBANK.mgf 17563.2 29 0 17.9614 1040.63 0 CCMSLIB00005727802 573 spectra_filtered.mgf *..* :2251 14250 -1 0 1022.67 1 0.706347 0 0 19744700.0 875300.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop M+H MASSBANK temp/spectra_filtered.mgf573 -1 MASSBANK.mgf 97843.7 36 0 100.062 1122.73 0 CCMSLIB00005727802 418 spectra_filtered.mgf *..* :1 2497 -1 0 1036.69 1 0.706097 0 0 6313220000.0 773100.0 Surfactin C M+H GNPS-LIBRARY temp/spectra_filtered.mgf418 -1 GNPS-LIBRARY.mgf 1910.02 22 0 1.9801 1038.67 0 CCMSLIB00000531487 15 spectra_filtered.mgf *..* :24595 43058 -1 0 591.168 1 0.705228 0 0 178.809 372500.0 5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one [M+Na]+ MONA temp/spectra_filtered.mgf15 -1 MONA.mgf 61204.2 4 0 36.1819 627.35 0 CCMSLIB00004715658 549 spectra_filtered.mgf *..* :1516 13515 -1 0 1036.69 1 0.704237 0 0 37035500.0 326200.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc M+H MASSBANK temp/spectra_filtered.mgf549 -1 MASSBANK.mgf 70502.9 29 0 73.0896 1109.78 0 CCMSLIB00005727067 nf_output/metadata/0000755000000000000000000000000014677277112013375 5ustar rootrootnf_output/metadata/merged_metadata.tsv0000644000000000000000000000000114677277112017225 0ustar rootroot nf_output/HMDB.mgf.tsv0000644000000000000000000000000114677277113013625 0ustar rootroot nf_output/LDB_NEGATIVE.mgf.tsv0000644000000000000000000000000114677277111014774 0ustar rootroot nf_output/PNNL-LIPIDS-POSITIVE.mgf.tsv0000644000000000000000000000000114677277116016107 0ustar rootroot 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625,1260.1138916015625,19.115444,area,0,18333603.296883486, 626,1384.7793579101562,22.159058,area,0,17251517.034943946, nf_output/clustering/specs_ms.mgf0000644000000000000000000250243214677277112016313 0ustar rootrootBEGIN IONS FEATURE_ID=1 PEPMASS=601.3337 SCANS=1 RTINSECONDS=1232.142 CHARGE=1+ MSLEVEL=2 54.4970 1.1E3 72.0811 6.0E3 86.0967 3.0E4 86.0985 1.7E3 111.5514 1.4E3 120.0806 1.9E4 141.0655 2.6E3 155.1174 4.6E3 157.0971 6.3E3 159.0758 1.4E3 173.1282 3.7E3 183.1125 7.4E3 197.1283 2.5E3 201.1230 7.2E3 213.1593 2.2E3 214.1185 1.4E3 231.1127 1.0E4 233.1645 5.1E4 234.1678 2.2E3 239.1384 1.6E3 240.1337 1.2E4 248.1386 2.7E3 249.1226 2.4E3 254.1490 1.0E4 258.1441 9.3E3 259.1066 1.1E3 259.1400 1.8E3 261.1591 6.5E4 262.1626 3.4E3 267.1331 2.7E3 268.1277 1.5E3 270.1805 2.8E3 285.1590 2.1E3 288.1338 1.2E3 295.1756 6.4E3 296.1600 3.7E3 296.1966 2.7E3 299.1735 1.2E3 300.2056 1.8E3 302.1860 3.2E3 308.1963 3.4E3 312.1686 1.1E3 313.1861 8.5E3 314.2068 2.0E3 315.2059 2.5E3 317.1852 1.2E3 318.1804 3.6E3 323.1709 1.1E4 324.1545 1.5E4 325.2223 3.5E3 326.1862 1.6E3 327.1696 1.6E3 330.1802 1.8E4 332.1604 1.5E3 337.1859 2.5E3 340.1658 1.4E3 341.1811 3.1E4 342.1821 2.4E3 344.1962 2.0E5 345.1991 1.0E4 348.1922 2.6E3 353.2173 1.8E4 356.1967 1.8E3 358.1750 1.1E4 359.2067 1.0E3 361.2231 1.1E3 362.2068 1.2E4 369.1766 2.7E3 371.1709 1.9E3 372.2281 2.1E3 377.2186 1.1E3 379.2330 1.1E3 381.2117 1.5E3 387.2017 7.4E3 389.1801 2.2E3 389.2540 2.1E3 398.2430 4.2E3 400.2227 1.2E3 401.2173 2.1E4 402.2205 2.3E3 405.2119 3.6E3 408.2604 1.5E3 409.2434 5.2E3 415.1964 7.0E3 415.2692 3.7E4 416.2724 3.4E3 417.2494 2.4E3 425.2529 2.0E3 426.2704 1.5E3 427.2327 5.0E3 428.2177 1.4E3 433.2804 6.7E3 436.2544 1.8E4 437.2386 5.6E3 437.2555 1.4E3 439.2325 1.9E3 443.2293 2.8E3 443.2643 1.1E5 444.2680 8.9E3 445.2432 9.1E3 454.2649 9.5E3 455.2644 9.1E3 457.2429 1.9E3 460.2538 3.1E3 461.2754 6.0E3 470.2384 8.3E3 472.2908 2.8E4 473.2934 2.5E3 474.2691 1.0E3 482.2754 2.6E3 484.2542 7.9E3 485.2388 7.6E3 488.2491 3.9E4 489.2519 3.1E3 498.2341 1.5E3 498.3067 1.0E3 499.2181 2.4E3 500.2856 9.7E4 501.2888 1.1E4 502.2650 3.1E4 503.2682 2.9E3 516.2444 1.1E4 516.3177 1.6E3 517.2471 1.3E3 518.2960 1.4E3 526.3023 4.5E3 529.3135 1.5E3 538.3003 2.5E3 539.3026 1.1E3 544.3115 1.1E3 555.3268 4.2E3 556.3112 1.1E4 557.3083 2.3E3 565.3113 1.5E3 573.3381 3.8E4 574.3413 5.3E3 583.3224 3.1E4 584.3049 1.5E3 584.3268 3.6E3 600.4455 5.0E3 601.3331 5.1E5 601.4491 3.3E3 601.5166 2.5E3 602.3361 6.3E4 END IONS BEGIN IONS FEATURE_ID=2 PEPMASS=603.3398 SCANS=2 RTINSECONDS=1288.961 CHARGE=1+ MSLEVEL=2 204.0995 7.5E3 230.0780 1.2E3 246.1091 1.2E3 286.1769 3.4E3 288.1560 1.0E4 330.1666 5.6E3 378.2397 1.6E4 379.2431 1.6E3 380.2188 8.3E4 381.2216 6.0E3 422.2287 8.0E3 439.2552 1.8E3 440.2399 2.9E3 449.2762 1.7E3 467.2861 2.3E3 493.2666 5.2E3 511.2768 9.3E4 512.2795 9.8E3 541.3380 3.8E3 559.3498 3.5E3 585.3292 3.5E4 586.3334 5.8E3 603.3392 9.2E5 603.5335 3.6E3 604.3423 1.1E5 END IONS BEGIN IONS FEATURE_ID=3 PEPMASS=613.3463 SCANS=3 RTINSECONDS=1067.18 CHARGE=1+ MSLEVEL=2 70.0657 1.2E3 102.0551 1.4E3 132.1018 1.0E3 136.1122 1.0E3 145.1013 1.2E3 147.0804 1.0E3 180.1018 7.3E3 181.0856 1.7E3 182.1175 1.0E4 184.1328 1.3E3 195.1167 1.1E3 206.1176 1.1E3 213.1274 3.7E3 215.1428 2.3E3 237.1270 1.2E3 250.1066 1.8E3 252.1226 1.1E3 265.1217 1.8E3 267.1375 1.7E3 268.1173 1.1E3 283.1324 1.1E3 320.1489 1.1E3 344.2214 1.1E3 396.2159 1.3E3 414.2263 1.0E3 446.2315 2.7E3 463.2583 1.0E3 464.2425 1.4E3 577.3261 2.3E3 595.3369 5.1E3 613.3472 5.5E3 614.4615 1.6E4 END IONS BEGIN IONS FEATURE_ID=4 PEPMASS=613.3477 SCANS=4 RTINSECONDS=1077.348 CHARGE=1+ MSLEVEL=2 70.0657 1.2E3 102.0551 1.4E3 132.1018 1.0E3 136.1122 1.0E3 145.1013 1.2E3 147.0804 1.0E3 180.1018 7.3E3 181.0856 1.7E3 182.1175 1.0E4 184.1328 1.3E3 195.1167 1.1E3 206.1176 1.1E3 213.1274 3.7E3 215.1428 2.3E3 237.1270 1.2E3 250.1066 1.8E3 252.1226 1.1E3 265.1217 1.8E3 267.1375 1.7E3 268.1173 1.1E3 283.1324 1.1E3 320.1489 1.1E3 344.2214 1.1E3 396.2159 1.3E3 414.2263 1.0E3 446.2315 2.7E3 463.2583 1.0E3 464.2425 1.4E3 577.3261 2.3E3 595.3369 5.1E3 613.3472 5.5E3 614.4615 1.6E4 END IONS BEGIN IONS FEATURE_ID=5 PEPMASS=614.3181 SCANS=5 RTINSECONDS=1281.204 CHARGE=1+ MSLEVEL=2 55.0549 3.3E3 72.0813 3.7E5 73.0846 2.4E3 74.0605 4.8E3 86.0970 1.4E3 98.0970 1.6E3 120.0805 2.4E3 143.1183 1.0E3 147.0800 1.3E3 155.1177 1.6E3 171.1124 2.5E3 173.0918 1.0E4 182.1173 3.8E3 183.1121 2.3E3 209.1284 8.3E3 227.1388 3.2E3 228.1341 1.9E3 231.1124 1.4E3 232.1326 2.8E3 233.1646 1.7E3 254.1493 1.1E4 260.1273 1.3E3 261.1590 2.8E3 277.1539 1.3E3 309.1912 1.2E3 315.1689 4.6E3 330.1804 1.9E3 333.1801 5.3E3 337.1866 1.7E3 338.1706 1.8E3 343.1644 9.6E4 344.1680 5.4E3 344.1960 1.0E4 355.1965 4.6E3 358.2225 1.1E3 360.1907 5.9E3 361.1749 2.4E4 362.1783 2.0E3 367.2332 2.0E3 376.2314 4.3E3 401.2173 1.4E3 414.2378 5.4E4 415.2429 3.6E3 415.2683 2.5E3 432.2488 2.6E3 442.2327 1.2E5 443.2365 1.0E4 443.2640 8.5E3 444.2122 1.8E4 445.2153 1.8E3 445.2438 1.2E3 456.3680 1.3E3 460.2428 3.8E3 474.3780 6.2E3 486.3062 2.5E3 502.2651 2.6E3 513.2698 6.4E3 514.3010 1.1E4 515.2488 5.2E3 515.2846 4.1E3 516.2816 1.6E3 526.3006 1.3E3 543.2805 2.9E3 569.2950 1.5E3 586.3227 8.5E3 587.3255 1.3E3 587.3536 2.7E3 596.3069 1.3E3 597.3391 1.2E3 613.3457 1.0E3 614.3188 1.4E3 614.4612 2.3E5 615.3486 2.1E4 615.4641 2.1E4 END IONS BEGIN IONS FEATURE_ID=6 PEPMASS=614.4624 SCANS=6 RTINSECONDS=1701.167 CHARGE=1+ MSLEVEL=2 86.0968 1.0E3 89.0600 2.4E3 133.0857 3.1E3 177.1119 2.1E3 236.1491 1.4E3 245.1853 1.9E3 344.1965 5.5E3 355.1967 1.2E3 358.2218 4.0E3 370.2578 2.5E3 371.2267 1.0E3 376.2322 1.2E4 415.2537 3.7E3 443.2645 3.1E3 456.3672 3.1E3 474.3781 1.8E4 475.3818 1.9E3 486.3065 1.4E3 514.3021 5.1E3 613.4481 1.3E3 613.5236 3.0E3 614.4615 6.8E5 615.3498 8.2E3 615.4647 8.6E4 END IONS BEGIN IONS FEATURE_ID=7 PEPMASS=614.4614 SCANS=7 RTINSECONDS=2062.374 CHARGE=1+ MSLEVEL=2 57.0706 2.0E3 71.0860 3.1E3 73.0652 1.3E3 85.1016 3.1E3 87.0445 2.9E3 88.0762 5.9E3 89.0601 7.6E4 97.1015 1.2E3 99.1170 1.3E3 107.0705 1.1E3 113.1328 1.1E3 117.0911 2.9E3 130.0860 1.3E3 131.0699 1.8E3 133.0858 1.0E5 161.1171 1.1E3 175.0961 2.0E3 177.1119 4.7E4 178.1151 1.6E3 183.2107 2.4E3 195.1228 1.0E3 221.1377 9.9E3 227.2366 1.5E3 239.1479 3.0E3 265.1639 3.6E3 271.2625 5.6E3 283.1742 4.9E3 309.1898 2.5E3 315.2886 3.9E3 327.2000 6.0E3 353.2163 1.1E3 371.2266 1.4E4 372.2297 2.3E3 376.2315 1.6E3 415.2528 6.6E4 416.2560 4.4E3 474.3779 2.4E3 597.4556 9.7E3 598.4584 1.9E3 614.4609 8.0E4 614.4822 6.7E3 615.4640 1.3E4 615.4871 1.6E3 END IONS BEGIN IONS FEATURE_ID=8 PEPMASS=614.4837 SCANS=8 RTINSECONDS=1966.555 CHARGE=1+ MSLEVEL=2 57.0706 2.0E3 71.0860 3.1E3 73.0652 1.3E3 85.1016 3.1E3 87.0445 2.9E3 88.0762 5.9E3 89.0601 7.6E4 97.1015 1.2E3 99.1170 1.3E3 107.0705 1.1E3 113.1328 1.1E3 117.0911 2.9E3 130.0860 1.3E3 131.0699 1.8E3 133.0858 1.0E5 161.1171 1.1E3 175.0961 2.0E3 177.1119 4.7E4 178.1151 1.6E3 183.2107 2.4E3 195.1228 1.0E3 221.1377 9.9E3 227.2366 1.5E3 239.1479 3.0E3 265.1639 3.6E3 271.2625 5.6E3 283.1742 4.9E3 309.1898 2.5E3 315.2886 3.9E3 327.2000 6.0E3 353.2163 1.1E3 371.2266 1.4E4 372.2297 2.3E3 376.2315 1.6E3 415.2528 6.6E4 416.2560 4.4E3 474.3779 2.4E3 597.4556 9.7E3 598.4584 1.9E3 614.4609 8.0E4 614.4822 6.7E3 615.4640 1.3E4 615.4871 1.6E3 END IONS BEGIN IONS FEATURE_ID=9 PEPMASS=615.3481 SCANS=9 RTINSECONDS=1000.47 CHARGE=1+ MSLEVEL=2 70.0656 1.3E3 86.0970 1.5E3 88.0760 1.7E3 120.0809 2.9E3 182.1171 2.3E3 197.1281 1.8E3 201.1234 1.9E3 233.1646 1.2E3 244.1284 2.8E3 254.1490 1.9E3 261.1591 2.2E3 268.1648 3.2E3 272.1600 1.5E3 330.1798 2.0E3 337.1859 1.5E3 344.1962 7.8E3 348.1913 1.2E3 355.1964 2.7E3 362.2065 1.7E3 367.2333 1.1E3 401.2167 1.6E3 415.2335 1.1E3 415.2705 1.3E3 419.2287 1.5E3 427.2328 6.4E3 433.2804 1.1E3 443.2647 4.1E3 445.2432 4.8E3 450.2695 2.3E3 461.2749 1.3E3 468.2804 2.0E3 484.2552 1.3E3 498.2700 3.3E3 502.2646 2.0E3 514.3007 1.0E3 516.2814 1.3E3 526.3013 9.2E3 527.3054 1.2E3 544.3116 3.0E3 570.3270 2.0E3 587.3548 1.6E3 597.3372 6.4E3 614.4612 1.2E4 615.3495 4.9E3 615.4643 9.8E3 END IONS BEGIN IONS FEATURE_ID=10 PEPMASS=615.3495 SCANS=10 RTINSECONDS=1319.973 CHARGE=1+ MSLEVEL=2 51.2979 1.8E3 51.4621 1.7E3 55.1547 1.7E3 55.6396 1.7E3 56.1406 2.2E3 57.5215 2.0E3 58.3492 1.8E3 60.0878 1.8E3 61.0328 1.8E3 61.5070 1.9E3 63.6708 1.8E3 64.9499 1.8E3 66.2680 2.3E3 67.6935 1.8E3 67.8957 1.7E3 70.1333 1.7E3 72.0813 9.0E3 74.3215 2.4E3 74.8986 1.9E3 80.2390 1.8E3 80.5530 1.8E3 80.7602 2.0E3 86.0968 2.7E4 87.6913 2.1E3 88.4251 2.4E3 90.9285 2.1E3 100.3734 2.3E3 110.2464 2.1E3 114.1447 2.1E3 114.9200 2.1E3 116.7259 2.1E3 120.0809 1.9E4 120.2525 2.1E3 139.2150 2.1E3 155.0819 2.7E3 155.1179 6.9E3 166.8938 2.4E3 171.1128 7.7E3 173.1280 5.7E3 183.1125 1.0E4 185.1285 7.8E3 193.8057 2.0E3 197.1283 2.7E3 201.1229 1.0E4 211.1069 2.2E3 213.1596 2.3E3 227.1386 3.0E3 231.1124 1.4E4 233.1648 3.6E4 239.1749 4.4E3 248.1388 6.4E3 249.1227 5.0E3 254.1493 1.9E4 261.1594 6.2E4 262.1625 2.7E3 266.1493 4.3E3 267.1340 5.6E3 268.1649 1.2E4 272.1599 8.8E3 284.1967 5.6E3 285.1583 2.6E3 287.1747 2.5E3 296.1967 6.0E3 302.1861 6.6E3 309.1919 5.8E3 310.1756 8.0E3 315.2070 2.1E3 322.2119 3.5E3 327.1698 2.6E3 327.2024 7.4E3 330.1805 3.1E4 332.1599 3.2E3 332.1973 2.6E3 337.1863 2.0E4 338.1700 3.3E4 339.2392 4.6E3 344.1964 2.3E5 345.2001 1.0E4 346.4024 2.2E3 348.1913 5.5E3 355.1971 4.6E4 358.1752 1.3E4 362.2067 1.4E4 367.2332 4.6E4 368.2367 2.4E3 370.2122 5.9E3 376.2327 4.2E3 383.1915 3.1E3 385.1863 2.4E3 386.2430 2.9E3 395.2272 4.9E3 397.0568 2.3E3 397.2447 2.2E3 398.2437 7.7E3 400.2224 2.6E3 401.2177 2.6E4 410.2073 4.9E3 413.2173 2.6E3 413.7241 2.5E3 413.7794 2.3E3 415.2333 3.7E4 415.2697 5.2E4 416.2745 2.7E3 417.2486 3.0E3 419.2284 6.3E3 423.2603 6.3E3 427.2336 1.8E4 429.2126 6.6E3 431.2280 5.5E3 433.2804 6.7E3 443.2644 1.5E5 444.2679 1.1E4 445.2442 2.7E4 446.2459 2.4E3 450.2701 1.7E4 451.2544 8.9E3 453.2490 5.0E3 457.2443 3.7E3 458.0067 2.1E3 461.2751 6.2E3 468.2808 1.3E4 469.2806 1.4E4 471.2583 3.5E3 474.3787 6.3E3 475.3806 3.6E3 484.2553 6.2E3 486.3065 5.4E4 486.5768 2.2E3 496.2907 2.4E3 498.2702 7.6E3 498.3080 2.6E3 499.2542 1.0E4 500.2860 3.6E3 502.2652 3.9E4 509.2747 2.5E3 514.3015 1.9E5 515.3052 2.0E4 516.2810 2.6E4 516.3188 3.8E3 522.4853 2.1E3 522.7420 2.1E3 526.3010 2.7E4 527.3040 2.8E3 530.2606 9.5E3 541.5455 2.5E3 544.3127 1.5E4 552.3173 3.2E3 569.3433 4.9E3 570.3279 1.4E4 587.3543 4.0E4 588.3585 6.0E3 589.2720 2.0E3 597.3381 3.7E4 614.4241 2.3E3 614.4618 1.4E5 615.3491 3.3E5 615.4644 9.3E4 616.3524 4.2E4 616.4711 3.5E3 END IONS BEGIN IONS FEATURE_ID=11 PEPMASS=619.3440 SCANS=11 RTINSECONDS=1208.77 CHARGE=1+ MSLEVEL=2 72.0811 3.0E3 86.0966 6.6E3 91.5061 1.2E3 120.0653 1.8E3 120.0807 3.8E3 155.1176 2.3E3 157.0969 2.5E3 159.0763 3.2E3 177.0868 1.9E3 183.1123 4.0E3 231.1128 3.1E3 232.1285 2.2E3 233.1644 2.1E4 234.1678 1.1E3 240.1334 2.2E3 258.1443 2.0E4 259.1477 1.3E3 261.1591 2.4E4 262.1623 1.2E3 276.1547 2.4E4 277.1499 1.0E3 277.1577 1.1E3 295.1757 2.9E3 300.2064 3.1E3 302.1855 1.3E3 313.1861 3.4E3 314.1702 1.8E3 315.2064 1.1E3 323.1703 1.2E3 326.1846 1.6E3 330.1803 5.6E3 331.1969 4.5E3 341.1810 8.6E3 344.1962 9.6E4 345.1994 7.3E3 353.2171 2.4E3 358.1754 6.2E3 359.1914 1.4E4 362.2077 1.7E3 387.1871 1.0E3 401.2174 1.9E3 415.1967 2.1E3 415.2693 1.8E4 416.2719 1.5E3 436.2538 1.8E3 443.2643 4.9E4 444.2682 5.1E3 454.2650 2.5E3 461.2741 2.0E3 463.2544 1.1E3 472.2914 3.4E3 478.2651 1.1E3 488.2494 4.0E3 500.2856 1.6E4 501.2885 1.9E3 502.2631 1.3E3 506.2599 1.4E4 507.2634 1.2E3 516.2426 3.6E3 518.2964 3.7E3 520.2756 1.2E4 521.2803 1.5E3 534.2548 1.1E4 556.3127 1.3E3 557.3447 1.2E3 573.3373 3.3E3 574.3221 2.0E3 583.3220 5.7E3 591.3486 1.9E4 592.3508 2.7E3 601.3329 3.5E4 602.3356 6.1E3 619.3436 2.6E5 620.3471 3.9E4 END IONS BEGIN IONS FEATURE_ID=12 PEPMASS=620.4368 SCANS=12 RTINSECONDS=1650.244 CHARGE=1+ MSLEVEL=2 57.0706 3.7E3 87.0445 4.7E3 89.0601 2.9E4 121.0652 1.6E3 131.0703 5.1E3 133.0858 5.0E4 147.0803 1.3E3 165.0910 6.1E3 167.1065 1.4E3 175.0964 4.3E3 177.1120 2.8E4 184.0731 1.4E4 191.1062 2.7E3 193.1222 1.0E3 209.1172 4.8E3 211.1327 3.3E3 219.1226 1.0E3 221.1381 8.0E3 233.1897 5.1E3 235.1327 2.6E3 239.1488 1.4E3 253.1427 1.9E3 255.1584 2.2E3 259.2050 2.9E3 265.1641 2.9E3 277.2156 2.6E4 278.2191 1.3E3 279.1582 1.9E3 283.1748 3.0E3 297.1692 1.4E3 299.1847 1.6E3 303.2310 3.7E3 309.1906 1.3E3 321.2416 1.1E4 327.2007 1.1E3 359.2059 1.4E3 403.2310 1.6E3 447.2580 1.5E3 479.4084 2.3E3 491.2839 1.5E4 492.2878 1.5E3 515.3577 1.5E3 559.3823 2.8E3 603.4092 4.6E4 604.4123 5.0E3 620.4357 3.4E4 620.4884 1.1E3 621.4405 3.7E3 END IONS BEGIN IONS FEATURE_ID=13 PEPMASS=621.3402 SCANS=13 RTINSECONDS=833.095 CHARGE=1+ MSLEVEL=2 70.0656 8.0E3 91.5063 1.1E3 115.0867 8.5E4 217.1333 1.9E4 235.1436 5.0E3 245.1280 5.9E4 246.1316 3.3E3 262.1544 1.9E3 263.1383 1.7E4 342.1815 1.1E3 344.1956 2.5E3 359.2070 6.7E4 360.1910 2.5E4 360.2091 4.3E3 361.1944 1.8E3 365.1853 3.3E3 408.1914 2.9E3 479.2643 1.1E4 480.2686 1.3E3 507.2593 1.8E4 508.2628 2.3E3 522.2701 5.0E3 576.3168 1.1E3 604.3120 2.3E3 621.3386 4.2E3 END IONS BEGIN IONS FEATURE_ID=14 PEPMASS=622.3237 SCANS=14 RTINSECONDS=907.957 CHARGE=1+ MSLEVEL=2 70.0656 9.9E3 116.0707 6.0E3 136.0760 1.5E3 217.1335 2.7E4 218.1369 1.7E3 235.1438 8.6E3 245.1281 1.4E5 246.1312 5.8E3 263.1383 2.2E4 264.1417 1.1E3 344.1960 1.8E3 360.1911 1.5E5 361.1945 1.2E4 365.1853 2.6E3 408.1909 2.2E3 479.2643 8.1E3 507.2595 1.1E4 508.2617 1.3E3 523.2540 7.2E3 622.3224 3.4E3 END IONS BEGIN IONS FEATURE_ID=15 PEPMASS=627.3500 SCANS=15 RTINSECONDS=889.947 CHARGE=1+ MSLEVEL=2 70.0656 2.7E3 91.5081 1.1E3 155.0815 2.3E3 217.1331 3.2E3 229.1545 3.2E4 230.1573 1.0E3 245.1279 1.1E4 252.1335 2.1E3 270.1440 1.6E3 286.1755 8.4E3 337.2228 2.1E3 342.1807 3.2E3 365.2172 3.3E3 371.2074 1.1E3 383.2282 2.6E5 384.2317 1.5E4 399.2020 1.1E4 496.2537 1.5E3 530.2958 1.1E4 609.3383 3.3E3 627.3491 1.0E5 628.3523 1.3E4 628.4760 2.4E3 END IONS BEGIN IONS FEATURE_ID=16 PEPMASS=627.3476 SCANS=16 RTINSECONDS=1020.659 CHARGE=1 MSLEVEL=2 70.0657 1.3E3 182.1174 1.2E3 217.1332 1.4E3 229.1544 1.3E4 245.1282 3.6E3 286.1753 2.9E3 383.2283 9.5E4 384.2321 5.5E3 399.2025 3.1E3 530.2965 5.0E3 609.3354 1.5E3 626.4601 1.2E3 627.3488 3.5E4 627.4633 1.1E3 628.3517 4.2E3 628.4772 1.8E4 END IONS BEGIN IONS FEATURE_ID=17 PEPMASS=628.4772 SCANS=17 RTINSECONDS=1141.182 CHARGE=1+ MSLEVEL=2 182.1174 1.8E3 390.2475 2.0E3 474.3779 4.1E3 628.4771 1.3E5 629.4804 2.0E4 END IONS BEGIN IONS FEATURE_ID=18 PEPMASS=628.4774 SCANS=18 RTINSECONDS=1308.486 CHARGE=1+ MSLEVEL=2 182.1173 2.1E3 236.1486 2.1E3 372.2373 2.3E3 390.2477 7.4E3 456.3676 1.9E3 474.3781 1.5E4 475.3812 1.3E3 627.4641 4.0E3 628.4771 5.0E5 629.4802 6.7E4 END IONS BEGIN IONS FEATURE_ID=19 PEPMASS=628.4780 SCANS=19 RTINSECONDS=1691.467 CHARGE=1+ MSLEVEL=2 51.5913 1.4E3 51.9174 1.5E3 53.2222 1.7E3 59.2971 1.5E3 61.3107 1.7E3 62.0514 1.6E3 62.6100 1.9E3 63.4044 1.7E3 66.4054 1.8E3 67.4116 1.7E3 69.8671 2.6E3 71.0488 1.6E3 71.5554 1.9E3 74.7467 2.1E3 75.9736 2.0E3 78.8748 1.7E3 80.1185 1.6E3 80.6586 1.7E3 85.9968 1.6E3 89.0602 1.6E3 89.6832 1.6E3 91.8705 1.7E3 92.7078 1.9E3 95.6360 1.7E3 99.7419 1.7E3 107.0931 1.6E3 110.6831 1.7E3 113.1866 2.0E3 115.6435 2.0E3 122.3076 2.0E3 128.3308 2.2E3 133.0858 2.6E3 136.6753 2.4E3 142.1949 2.0E3 152.2245 2.0E3 161.7316 1.5E3 161.9321 2.2E3 183.8739 1.9E3 188.1114 1.8E3 191.9062 1.9E3 192.3984 2.3E3 213.1024 1.9E3 230.5698 1.9E3 232.1248 2.0E3 236.1489 5.0E3 261.6594 2.0E3 301.9191 1.8E3 309.2600 1.9E3 309.4373 1.9E3 317.1492 2.1E3 372.2370 1.2E4 390.2476 3.7E4 393.1263 2.1E3 402.3342 1.9E3 415.2526 2.2E3 418.7449 2.1E3 453.4334 2.5E3 455.1154 2.1E3 456.3675 6.6E3 474.3779 6.0E4 475.3813 2.8E3 508.7093 1.9E3 512.9299 1.9E3 515.0965 2.2E3 528.1649 2.4E3 548.5023 2.1E3 572.8389 2.3E3 627.4644 1.4E4 628.4771 2.1E6 629.4802 2.8E5 637.9914 2.0E3 647.7135 2.6E3 END IONS BEGIN IONS FEATURE_ID=20 PEPMASS=628.4794 SCANS=20 RTINSECONDS=2090.846 CHARGE=1+ MSLEVEL=2 87.0445 4.3E3 88.0760 3.3E3 89.0601 1.7E5 90.0636 1.2E3 91.0757 1.1E3 91.5063 1.8E3 107.0704 1.0E3 117.0913 2.2E3 130.0863 2.4E3 131.0701 5.4E3 133.0858 2.7E5 134.0893 3.9E3 175.0964 4.0E3 177.1119 1.3E5 178.1153 3.8E3 195.1227 1.7E3 219.1227 1.6E3 221.1381 2.8E4 222.1415 1.5E3 223.1537 1.5E3 239.1486 7.2E3 265.1643 9.7E3 283.1747 9.1E3 309.1900 4.8E3 327.2004 1.4E4 328.2033 1.4E3 353.2159 2.7E3 371.2267 3.1E4 372.2295 4.8E3 390.2474 2.1E3 397.2422 1.8E3 415.2528 2.3E5 416.2560 1.9E4 474.3770 3.3E3 611.4707 1.5E3 628.3737 7.6E3 628.4764 1.2E5 628.4984 1.6E4 629.3760 2.0E3 629.4799 2.1E4 629.5017 1.5E3 END IONS BEGIN IONS FEATURE_ID=21 PEPMASS=628.4785 SCANS=21 RTINSECONDS=2095.987 CHARGE=1+ MSLEVEL=2 87.0445 4.3E3 88.0760 3.3E3 89.0601 1.7E5 90.0636 1.2E3 91.0757 1.1E3 91.5063 1.8E3 107.0704 1.0E3 117.0913 2.2E3 130.0863 2.4E3 131.0701 5.4E3 133.0858 2.7E5 134.0893 3.9E3 175.0964 4.0E3 177.1119 1.3E5 178.1153 3.8E3 195.1227 1.7E3 219.1227 1.6E3 221.1381 2.8E4 222.1415 1.5E3 223.1537 1.5E3 239.1486 7.2E3 265.1643 9.7E3 283.1747 9.1E3 309.1900 4.8E3 327.2004 1.4E4 328.2033 1.4E3 353.2159 2.7E3 371.2267 3.1E4 372.2295 4.8E3 390.2474 2.1E3 397.2422 1.8E3 415.2528 2.3E5 416.2560 1.9E4 474.3770 3.3E3 611.4707 1.5E3 628.3737 7.6E3 628.4764 1.2E5 628.4984 1.6E4 629.3760 2.0E3 629.4799 2.1E4 629.5017 1.5E3 END IONS BEGIN IONS FEATURE_ID=22 PEPMASS=628.4787 SCANS=22 RTINSECONDS=2102.299 CHARGE=1+ MSLEVEL=2 87.0445 3.0E3 88.0761 1.3E3 89.0601 1.0E5 107.0705 1.2E3 117.0911 1.3E3 130.0861 1.6E3 131.0698 2.9E3 133.0858 1.6E5 134.0887 2.7E3 175.0961 2.8E3 177.1119 7.6E4 178.1148 2.0E3 221.1381 1.6E4 239.1482 3.6E3 265.1640 4.7E3 283.1744 8.1E3 309.1904 3.2E3 327.2003 9.2E3 353.2166 1.6E3 371.2266 2.7E4 372.2298 4.1E3 397.2425 1.6E3 415.2529 1.4E5 416.2563 1.1E4 474.3765 2.3E3 611.4700 1.3E3 628.3738 4.1E3 628.4764 6.2E4 628.4985 1.3E4 629.4796 1.2E4 629.5015 1.3E3 END IONS BEGIN IONS FEATURE_ID=23 PEPMASS=628.4996 SCANS=23 RTINSECONDS=1461.491 CHARGE=1+ MSLEVEL=2 56.0460 1.0E3 69.8671 1.5E3 71.7326 1.0E3 73.3755 1.1E3 84.5075 1.2E3 88.5848 1.1E3 89.0601 3.9E3 99.0160 1.1E3 127.5517 1.1E3 130.3692 1.1E3 133.0860 4.2E3 133.8114 1.2E3 151.1976 1.1E3 154.4759 1.1E3 157.2434 1.7E3 166.7870 1.3E3 176.0729 1.0E3 177.1120 2.3E3 197.1900 1.4E3 199.5514 1.2E3 236.1491 1.8E3 250.6832 1.3E3 269.3887 1.4E3 285.2791 1.1E3 287.0222 1.1E3 288.9682 1.3E3 329.3040 1.3E3 337.5990 1.2E3 350.0741 1.1E3 353.3488 1.2E3 364.8466 1.0E3 372.2377 6.1E3 384.3352 1.1E3 384.5461 1.2E3 390.2477 1.4E4 394.2123 1.2E3 402.1813 1.1E3 415.2541 2.3E3 456.3676 2.9E3 467.8945 1.4E3 474.3781 3.3E4 475.3814 3.4E3 486.3031 1.4E3 502.3782 1.3E3 540.7516 1.2E3 545.4016 1.7E3 546.4040 2.0E3 547.4091 2.1E3 553.6717 1.3E3 575.5263 1.1E3 611.4724 1.5E3 627.4650 5.0E3 628.4771 1.0E6 629.4803 1.5E5 647.2172 1.2E3 END IONS BEGIN IONS FEATURE_ID=24 PEPMASS=628.4990 SCANS=24 RTINSECONDS=2030.018 CHARGE=1+ MSLEVEL=2 89.0600 7.3E3 117.0912 1.5E3 133.0858 1.1E4 177.1122 6.9E3 221.1383 1.1E3 236.1494 1.7E3 371.2269 4.7E3 372.2384 2.7E3 390.2473 8.8E3 415.2529 7.3E3 456.3679 2.7E3 474.3778 1.8E4 475.3825 1.4E3 627.4634 2.5E3 628.3768 5.5E3 628.4772 5.8E5 629.4804 7.5E4 END IONS BEGIN IONS FEATURE_ID=25 PEPMASS=628.4996 SCANS=25 RTINSECONDS=2082.589 CHARGE=1+ MSLEVEL=2 87.0444 2.8E3 89.0601 7.7E4 90.0633 1.2E3 130.0860 1.4E3 131.0701 2.7E3 133.0857 1.2E5 134.0892 1.0E3 175.0961 1.7E3 177.1118 5.9E4 178.1152 2.0E3 195.1225 1.5E3 221.1380 1.4E4 239.1483 3.3E3 265.1641 3.2E3 283.1742 5.6E3 309.1905 2.2E3 327.1998 6.5E3 353.2165 1.5E3 371.2265 1.7E4 372.2295 2.1E3 397.2419 1.3E3 415.2528 1.1E5 416.2561 7.7E3 611.4689 1.2E3 628.3732 3.4E3 628.4759 3.2E4 628.4982 1.3E4 629.4792 5.4E3 629.5022 1.5E3 END IONS BEGIN IONS FEATURE_ID=26 PEPMASS=629.3656 SCANS=26 RTINSECONDS=1397.101 CHARGE=1+ MSLEVEL=2 52.2811 1.1E3 52.6311 1.0E3 55.7596 1.1E3 56.4803 1.2E3 56.5014 1.3E3 56.6034 1.3E3 56.6041 1.2E3 61.0294 1.1E3 72.0812 2.2E3 77.4231 1.2E3 82.6708 1.4E3 86.0968 2.9E4 88.3461 1.3E3 88.9965 1.2E3 91.2315 1.2E3 91.5063 3.2E3 99.5997 1.4E3 100.2324 1.1E3 108.3339 1.1E3 108.6640 1.1E3 109.9055 1.2E3 112.4914 1.2E3 113.4985 1.2E3 120.0807 1.5E4 120.0830 2.1E3 121.8127 1.3E3 123.7732 1.2E3 133.0860 1.9E3 138.2250 1.4E3 148.2151 1.3E3 155.0813 1.9E3 157.1333 1.3E3 157.7526 1.2E3 160.7818 1.2E3 161.1570 1.3E3 164.9966 1.1E3 168.6670 1.1E3 169.1334 4.7E3 185.1280 1.0E4 187.1435 4.0E3 189.6674 1.2E3 197.1282 8.8E3 210.1232 1.5E3 215.1395 6.5E3 223.1431 1.5E3 231.1128 7.8E3 233.1645 2.5E4 236.1488 1.6E3 248.1397 1.5E3 249.1230 2.3E3 252.1697 1.5E3 253.1540 2.4E3 253.1903 2.6E3 261.1593 3.3E4 262.1615 1.5E3 268.1652 2.4E4 278.1476 1.5E3 280.1654 2.2E3 280.9130 1.5E3 281.1493 8.2E3 286.1756 5.1E3 289.8176 1.2E3 298.1760 1.3E3 298.2121 1.4E3 301.5913 1.2E3 303.8510 1.4E3 310.2115 1.8E3 312.1302 1.2E3 316.2010 4.7E3 316.5061 1.3E3 323.2072 5.8E3 324.1915 2.9E3 328.2226 2.1E3 332.1601 1.7E3 332.1959 3.8E3 341.2174 4.8E3 343.1638 1.4E3 344.1963 1.8E5 345.1995 1.3E4 349.7124 1.3E3 351.2018 1.3E4 352.1861 2.5E4 352.6462 1.3E3 353.2541 2.2E3 361.2221 3.2E3 362.1950 1.7E3 362.2061 1.3E4 363.2096 1.5E3 369.2126 2.9E4 370.2116 4.4E3 372.1905 7.1E3 372.2366 3.0E3 381.2489 2.5E4 390.2474 9.2E3 391.2509 4.2E3 403.1971 1.3E3 410.2061 2.1E3 412.2583 4.1E3 415.2333 3.9E4 416.2365 2.5E3 417.2479 2.4E3 427.2328 1.7E4 429.2853 3.0E4 430.2692 1.4E3 430.2886 2.7E3 430.3039 1.4E3 433.2433 5.8E3 443.2280 5.1E3 445.2439 2.6E4 446.2468 2.7E3 447.2954 4.3E3 453.2487 1.6E3 456.3667 2.7E3 457.2801 7.6E4 458.2838 8.5E3 464.2855 7.1E3 464.7177 1.3E3 465.2696 5.5E3 471.2593 4.2E3 474.3780 1.5E4 475.2913 4.2E3 475.3814 4.6E3 482.2959 6.3E3 483.2955 7.7E3 488.2845 1.8E3 498.2702 1.2E4 499.2549 8.5E3 499.2708 1.4E3 500.3221 3.5E4 501.3082 2.0E3 501.3267 3.7E3 505.2922 1.3E3 510.3073 1.6E3 512.3220 2.9E3 513.3060 2.3E3 514.3022 1.6E3 516.2808 5.3E4 517.2848 6.5E3 526.6045 1.4E3 528.3171 1.0E5 529.3205 1.4E4 530.3326 4.0E3 540.3165 1.4E4 541.3203 2.2E3 544.2756 5.6E3 558.3265 7.6E3 566.3330 2.8E3 583.1934 1.4E3 583.3601 1.4E3 584.3436 6.7E3 585.3365 1.8E3 600.6478 1.4E3 601.3693 2.9E4 602.3719 3.5E3 611.3545 2.3E4 612.3565 2.0E3 628.4772 3.6E5 629.3647 1.8E5 629.4806 2.5E5 630.3677 2.7E4 630.4555 3.0E3 630.4830 1.4E4 647.4493 1.5E3 END IONS BEGIN IONS FEATURE_ID=27 PEPMASS=632.3188 SCANS=27 RTINSECONDS=1319.973 CHARGE=1+ MSLEVEL=2 50.2801 4.6E3 53.1547 5.4E3 53.4913 6.8E3 53.6761 5.5E3 54.9201 5.5E3 57.4120 5.4E3 58.3283 6.4E3 60.7449 5.1E3 68.2105 5.2E3 68.7904 6.2E3 70.0996 5.5E3 71.6593 5.1E3 71.7931 5.7E3 72.0813 6.9E4 74.0730 6.0E3 76.9184 6.2E3 80.7206 1.1E4 86.0969 2.5E6 87.1000 3.2E4 90.8177 6.4E3 92.0295 9.5E3 112.5849 6.0E3 120.0809 2.5E5 121.0845 8.3E3 150.8446 6.4E3 155.1176 2.9E4 162.0912 2.4E4 183.1118 1.3E4 190.0860 5.6E4 216.0746 7.0E3 218.6024 6.0E3 231.1124 3.4E5 232.1159 1.4E4 233.1644 7.9E4 234.1680 7.0E3 239.9802 6.5E3 240.5107 6.1E3 245.9466 6.7E3 261.1593 2.1E4 267.8619 7.6E3 274.9978 6.2E3 275.1748 9.7E4 302.1855 7.5E4 303.1699 3.0E6 304.1729 1.6E5 311.8518 6.9E3 313.0524 6.1E3 318.5185 5.6E3 330.1800 4.9E4 344.1964 3.3E6 345.1996 2.2E5 368.2716 7.1E3 375.8141 5.9E3 389.9558 7.6E3 394.1517 7.3E3 405.6057 6.0E3 415.2694 4.5E4 416.2733 9.6E3 421.2914 6.5E3 422.2432 3.6E4 430.9247 6.7E3 443.2648 2.9E4 450.2382 1.2E5 451.2408 2.0E4 498.8456 7.4E3 515.2639 5.6E4 519.6368 8.0E3 525.0680 6.4E3 533.2748 1.3E6 534.2780 2.0E5 552.4839 6.1E3 586.3387 1.1E4 604.3479 1.2E5 605.3510 2.1E4 632.3434 4.9E4 632.4683 7.6E3 633.3452 8.4E3 END IONS BEGIN IONS FEATURE_ID=28 PEPMASS=632.3423 SCANS=28 RTINSECONDS=1045.655 CHARGE=1+ MSLEVEL=2 54.1522 1.2E3 55.5755 1.3E3 57.0471 1.4E3 63.4575 1.4E3 68.0685 1.4E3 68.6457 1.5E3 71.9422 1.5E3 72.0812 1.0E4 72.3546 1.7E3 74.2839 1.5E3 80.6765 1.7E3 84.3218 1.4E3 86.0968 4.0E5 87.1002 5.0E3 95.7218 1.6E3 99.4341 1.8E3 101.5520 1.5E3 103.6432 1.5E3 107.0414 1.3E3 108.7736 1.7E3 118.8837 1.7E3 119.6978 1.4E3 120.0809 4.2E4 121.5569 1.4E3 148.3773 1.7E3 155.1177 1.6E3 162.0916 2.0E3 181.7518 2.0E3 183.1125 1.5E3 190.0857 9.8E3 207.5983 1.4E3 213.5603 1.6E3 217.6543 1.6E3 229.1196 1.6E3 231.1125 4.7E4 231.9833 1.5E3 232.1158 2.2E3 233.1650 7.5E3 246.2984 1.7E3 250.8961 1.5E3 256.7269 1.7E3 261.1592 5.7E3 261.9099 1.9E3 275.1746 1.6E4 276.1788 2.1E3 285.1608 1.7E3 302.1846 1.7E3 303.1699 5.0E5 304.1735 3.4E4 308.2912 1.8E3 320.2747 2.0E3 330.1807 8.4E3 333.6354 1.7E3 336.0169 1.9E3 344.1964 5.6E5 345.1993 3.7E4 408.7984 1.9E3 415.2702 2.1E3 422.2430 6.9E3 443.2637 3.6E3 447.0914 1.7E3 450.2379 2.9E4 455.2245 2.0E3 499.0807 1.7E3 510.3605 2.0E3 515.2650 6.2E3 517.6729 1.6E3 532.2587 2.0E3 533.2747 2.3E5 534.2781 3.0E4 604.3470 2.5E3 606.6147 1.9E3 632.3426 7.7E3 633.3040 2.5E3 633.3577 7.0E3 663.8265 1.7E3 END IONS BEGIN IONS FEATURE_ID=29 PEPMASS=632.3428 SCANS=29 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 51.5928 1.0E3 53.8950 1.0E3 60.0154 1.1E3 63.3367 1.1E3 72.0815 7.7E3 78.7505 1.1E3 80.6766 2.1E3 80.7206 1.3E3 82.6363 1.1E3 86.0968 4.0E5 86.7333 1.1E3 87.1004 2.3E3 92.0295 1.6E3 96.1482 1.0E3 98.0182 1.2E3 107.2148 1.1E3 120.0809 4.1E4 133.7829 1.0E3 133.8658 1.2E3 145.9560 1.2E3 155.1178 3.3E3 156.1451 1.1E3 157.9600 1.1E3 162.0913 3.7E3 162.2072 1.0E3 183.1131 2.4E3 190.0860 8.3E3 199.7880 1.1E3 199.9749 1.1E3 208.4316 1.1E3 229.3658 1.1E3 231.1127 5.3E4 232.1161 3.3E3 233.1645 1.0E4 235.0343 1.1E3 249.5830 1.0E3 261.1597 4.5E3 275.1752 1.3E4 279.6229 1.2E3 293.5752 1.2E3 302.1864 3.7E3 303.1700 4.8E5 304.1730 2.5E4 330.1804 8.7E3 337.2330 1.3E3 344.1964 5.4E5 344.5862 1.9E3 345.1995 3.7E4 381.9097 1.2E3 382.2297 1.2E3 388.6854 1.7E3 394.6287 1.6E3 397.1718 1.2E3 408.5268 1.4E3 415.2698 3.2E3 422.2426 6.3E3 443.2648 5.9E3 450.2380 2.0E4 451.2414 3.2E3 487.2687 1.1E3 489.6713 1.1E3 506.9454 1.6E3 507.4271 1.4E3 515.2644 1.0E4 533.2749 2.1E5 534.2783 2.7E4 604.3481 2.5E3 632.1766 1.3E3 632.3447 9.3E3 632.4705 2.5E3 647.7441 1.4E3 END IONS BEGIN IONS FEATURE_ID=30 PEPMASS=632.3436 SCANS=30 RTINSECONDS=1081.344 CHARGE=1+ MSLEVEL=2 72.0813 1.6E3 86.0968 7.1E4 120.0808 6.9E3 182.1171 1.3E3 190.0866 1.7E3 231.1125 9.3E3 233.1642 2.5E3 261.1591 3.2E3 272.1598 2.7E3 275.1742 2.3E3 303.1698 9.1E4 304.1730 4.9E3 330.1799 2.8E3 344.1963 9.9E4 345.1998 6.1E3 362.2062 1.7E3 367.2338 1.4E3 415.2698 2.0E3 419.2267 1.1E3 433.2801 1.9E3 443.2641 9.0E3 450.2378 4.3E3 461.2743 2.7E3 504.3166 1.2E3 514.3006 3.8E3 515.2634 1.5E3 532.3126 3.4E3 533.2748 3.9E4 534.2781 5.1E3 631.4848 1.4E3 632.3436 1.3E3 632.4357 1.2E3 632.4720 2.4E3 633.3592 1.3E4 END IONS BEGIN IONS FEATURE_ID=31 PEPMASS=632.3431 SCANS=31 RTINSECONDS=1107.143 CHARGE=1+ MSLEVEL=2 72.0812 8.3E3 86.0968 1.2E5 87.1003 1.1E3 120.0809 1.2E4 155.1179 1.5E3 162.0913 1.3E3 190.0857 2.5E3 231.1125 1.7E4 233.1644 3.5E3 261.1592 2.1E3 275.1747 5.0E3 303.1699 1.6E5 304.1729 9.3E3 330.1806 2.1E3 343.1641 1.9E3 344.1963 1.7E5 345.1996 1.3E4 361.1744 1.6E3 422.2431 1.8E3 442.2321 5.3E3 443.2644 1.6E3 450.2378 8.9E3 460.2430 2.3E3 515.2646 2.9E3 533.2748 7.4E4 534.2781 1.1E4 604.3486 1.0E3 631.4853 1.5E3 632.3443 3.1E3 632.4343 1.3E3 632.4722 2.5E3 END IONS BEGIN IONS FEATURE_ID=32 PEPMASS=632.3439 SCANS=32 RTINSECONDS=1318.066 CHARGE=1+ MSLEVEL=2 72.0813 3.6E3 86.0968 1.4E5 87.1003 1.7E3 89.0601 1.7E3 120.0808 1.7E4 133.0860 1.8E3 155.1176 1.5E3 162.0911 1.7E3 177.1121 1.3E3 184.0730 2.7E3 190.0858 2.6E3 231.1123 1.8E4 233.1645 3.9E3 261.1595 2.0E3 275.1747 4.7E3 302.1858 5.3E3 303.1699 1.9E5 304.1731 8.0E3 330.1807 3.4E3 344.1963 1.5E5 345.1996 9.9E3 415.2688 3.0E3 422.2432 2.7E3 443.2644 1.4E3 450.2374 7.8E3 451.2411 1.2E3 491.3725 2.8E3 515.2639 3.4E3 533.2747 8.0E4 534.2778 1.1E4 604.3476 7.8E3 631.4587 1.4E3 631.4855 4.9E3 632.3425 3.1E3 632.4363 3.0E3 632.4716 9.9E3 633.3466 1.1E3 END IONS BEGIN IONS FEATURE_ID=33 PEPMASS=633.3610 SCANS=33 RTINSECONDS=859.894 CHARGE=1+ MSLEVEL=2 72.0810 1.7E3 86.0966 7.0E3 120.0655 1.8E3 120.0806 2.5E3 143.1177 1.0E3 155.1177 1.7E3 171.1130 6.5E3 173.0916 2.5E3 183.1121 3.0E3 191.1027 2.7E3 231.1125 3.0E3 233.1645 1.2E4 246.1443 1.4E3 254.1494 3.6E3 261.1593 1.8E4 262.1623 1.7E3 268.1643 1.1E3 272.1602 8.6E3 286.1754 1.0E3 290.1704 1.2E4 300.2066 1.7E3 309.1914 2.0E3 326.1855 1.2E3 327.2019 2.0E3 328.1856 3.2E3 330.1805 6.2E3 337.1862 2.6E3 344.1963 1.0E5 345.1993 7.5E3 345.2128 3.6E3 355.1967 9.8E3 358.1750 5.3E3 362.2065 3.8E3 367.2332 3.7E3 373.2074 1.7E4 385.2437 1.8E3 398.2423 1.0E3 401.2178 4.0E3 415.2336 3.2E3 415.2692 1.9E4 416.2734 1.6E3 419.2277 1.4E3 429.2135 2.6E3 433.2444 1.3E3 433.2802 1.5E3 443.2645 6.7E4 444.2672 7.8E3 445.2434 1.6E3 450.2700 3.7E3 461.2746 2.1E3 463.2544 3.6E3 468.2809 5.4E3 469.2801 1.5E3 484.2550 1.2E3 486.2911 1.2E3 486.3068 7.3E3 487.2915 1.2E3 487.3101 1.1E3 502.2647 3.9E3 504.3165 1.5E3 514.3017 3.0E4 515.3052 4.8E3 516.2800 3.2E3 520.2755 9.0E3 526.3016 1.7E3 530.2603 1.2E3 532.3114 1.1E4 533.3161 1.2E3 534.2913 1.6E4 534.3279 2.5E3 535.2941 1.9E3 544.3119 1.9E3 548.2703 1.4E4 549.2740 1.3E3 562.3211 3.1E3 570.3261 1.9E3 587.3533 3.6E3 588.3366 3.4E3 597.3389 6.7E3 605.3646 2.6E4 606.3677 3.8E3 615.3486 3.4E4 616.3523 6.6E3 633.3594 1.4E5 634.3627 2.6E4 END IONS BEGIN IONS FEATURE_ID=34 PEPMASS=633.3605 SCANS=34 RTINSECONDS=938.704 CHARGE=1+ MSLEVEL=2 72.0813 1.2E3 86.0969 2.8E3 120.0808 1.7E3 171.1129 2.7E3 173.0918 2.0E3 183.1124 2.2E3 191.1026 1.3E3 231.1124 2.2E3 233.1646 7.7E3 246.1449 1.1E3 254.1493 2.6E3 261.1592 9.4E3 272.1600 3.4E3 290.1704 4.3E3 309.1918 1.5E3 328.1861 1.4E3 330.1807 3.0E3 337.1862 1.9E3 344.1962 4.0E4 345.1999 2.6E3 345.2127 2.3E3 355.1970 5.1E3 358.1753 3.3E3 362.2069 1.5E3 367.2334 3.4E3 373.2074 1.1E4 401.2183 1.3E3 415.2327 2.7E3 415.2693 9.8E3 419.2286 1.1E3 429.2128 1.1E3 443.2646 3.0E4 444.2679 3.7E3 450.2707 2.1E3 461.2748 1.4E3 463.2546 1.8E3 468.2809 2.7E3 469.2812 1.3E3 486.3068 5.7E3 487.2911 1.0E3 502.2659 1.3E3 504.3174 1.5E3 514.3015 2.5E4 515.3044 3.1E3 520.2758 5.1E3 532.3120 6.2E3 533.3145 1.1E3 534.2911 6.7E3 535.2957 1.0E3 544.3118 1.3E3 548.2701 5.8E3 549.2740 1.6E3 562.3218 1.5E3 570.3289 1.1E3 587.3542 1.9E3 588.3379 1.3E3 597.3376 4.4E3 605.3647 1.4E4 606.3684 2.3E3 615.3491 1.8E4 616.3513 3.3E3 633.3595 1.1E5 634.3626 1.8E4 END IONS BEGIN IONS FEATURE_ID=35 PEPMASS=633.3598 SCANS=35 RTINSECONDS=989.441 CHARGE=1+ MSLEVEL=2 86.0968 6.7E3 120.0806 4.3E3 171.1120 5.2E3 173.0914 5.0E3 173.1281 4.5E3 183.1125 1.6E3 185.1282 2.3E3 201.1234 1.3E4 227.1386 1.3E3 231.1127 3.1E3 233.1646 7.6E3 239.1753 1.3E3 249.1225 2.5E3 254.1491 3.4E3 261.1589 2.2E4 262.1622 1.5E3 272.1597 2.7E4 273.1632 1.3E3 284.1963 2.4E3 287.1750 1.4E3 296.1967 1.1E3 303.1699 1.2E3 314.2066 2.3E3 317.1861 1.4E3 318.1811 2.0E3 330.1804 9.7E3 332.1959 4.5E3 340.2230 1.2E3 344.1960 4.0E4 345.1996 2.2E3 348.1906 4.0E3 355.1964 1.7E3 357.2500 1.5E3 358.1751 2.7E3 362.2063 2.3E4 363.2103 2.1E3 367.2333 1.6E4 373.2072 7.0E3 374.2078 2.1E3 376.1850 1.7E3 385.2437 1.2E4 386.2442 2.8E3 389.2535 3.9E3 398.2431 1.2E3 401.2172 3.5E3 403.2689 1.1E3 405.2483 1.4E3 415.2330 1.4E4 415.2692 1.8E4 416.2372 1.5E3 416.2533 2.9E3 416.2721 1.3E3 417.2476 6.7E3 419.2279 1.1E4 427.2322 1.3E3 431.2645 2.1E3 433.2441 8.7E3 433.2798 2.1E4 434.2833 2.6E3 443.2642 7.2E4 444.2675 9.7E3 445.2436 2.2E3 460.2902 1.6E3 461.2747 3.0E4 462.2787 3.5E3 469.2797 5.8E3 486.3059 7.0E3 487.2906 9.0E3 488.2858 3.6E3 504.3171 2.0E4 505.3202 2.1E3 514.3011 3.8E4 515.3038 4.7E3 520.2752 2.7E3 526.3024 2.1E3 532.3117 3.2E4 533.3161 3.0E3 544.3135 1.1E3 597.3373 2.4E3 615.3488 7.4E3 633.3590 1.1E5 634.3623 1.7E4 END IONS BEGIN IONS FEATURE_ID=36 PEPMASS=633.3601 SCANS=36 RTINSECONDS=1148.834 CHARGE=1+ MSLEVEL=2 52.6892 6.6E3 57.2926 5.5E3 57.8514 5.7E3 59.1694 6.1E3 59.1991 5.6E3 60.3426 5.4E3 61.2158 5.5E3 61.4360 5.4E3 63.5541 5.7E3 66.1763 5.7E3 69.8859 6.1E3 71.0630 5.7E3 71.8005 6.6E3 72.0813 1.5E4 76.3485 7.4E3 79.4750 5.5E3 81.2053 5.7E3 86.0951 1.2E4 86.0968 1.2E5 86.5891 6.5E3 87.2622 6.4E3 92.7824 6.0E3 95.8436 6.8E3 96.1275 5.7E3 98.4317 5.4E3 102.8877 6.1E3 120.0811 3.1E4 124.8127 5.6E3 126.4673 5.6E3 127.0344 5.8E3 127.4046 5.6E3 127.5647 6.6E3 130.5518 6.1E3 133.7066 6.0E3 137.8251 6.7E3 149.9851 6.2E3 155.1174 1.0E4 160.2582 6.5E3 171.1126 2.7E4 172.2337 6.3E3 173.0913 1.8E4 173.4300 6.7E3 176.0932 6.2E3 183.1127 3.0E4 191.1027 1.3E4 196.6445 6.5E3 231.1119 3.4E4 233.1648 7.3E4 246.1449 9.2E3 248.1386 1.0E4 254.1432 6.6E3 254.1497 3.5E4 261.1593 1.1E5 262.1635 6.6E3 272.1596 4.5E4 275.1755 8.4E3 290.1700 4.5E4 296.1959 2.0E4 300.2062 1.3E4 302.1858 1.1E4 303.1696 1.0E5 304.1731 2.6E4 307.4037 7.0E3 309.1918 7.0E3 315.2065 9.6E3 324.3367 6.8E3 327.2026 9.4E3 328.1869 1.1E4 330.1809 3.9E4 337.1870 1.2E4 339.2377 7.2E3 344.1962 6.0E5 345.2000 8.4E4 345.2127 2.2E4 348.1910 1.1E4 351.8493 6.9E3 355.1967 4.7E4 358.1758 2.7E4 362.2068 1.4E4 367.2332 3.6E4 373.2069 1.1E5 374.2102 8.8E3 379.2338 6.7E3 385.2443 9.3E3 398.2421 1.0E4 400.7483 7.5E3 401.2173 2.5E4 403.2988 6.4E3 405.7527 6.7E3 407.4511 6.9E3 415.2326 2.9E4 415.2698 1.3E5 416.2734 1.9E4 419.2278 1.2E4 421.2077 7.1E3 429.2131 1.2E4 433.2792 8.3E3 443.2644 2.8E5 444.2682 3.4E4 447.2224 1.1E4 450.2698 2.4E4 461.2750 1.8E4 463.2547 2.0E4 468.2815 3.4E4 469.2805 1.1E4 486.3065 6.7E4 487.2914 1.6E4 487.3099 9.6E3 488.2860 1.4E4 502.2653 2.1E4 504.3177 1.3E4 514.3013 2.8E5 515.3054 4.6E4 516.2805 1.3E4 520.2760 4.7E4 532.3124 6.0E4 533.2754 5.1E4 534.2928 6.7E4 534.3270 7.5E3 544.3115 1.3E4 548.2700 9.6E4 549.2719 9.5E3 562.3232 1.9E4 570.3284 1.1E4 571.3215 1.1E4 587.3547 2.2E4 588.3389 1.0E4 588.3606 7.9E3 589.3409 7.7E3 593.7851 6.7E3 597.3381 4.7E4 598.3429 1.1E4 605.3645 1.3E5 606.3679 2.1E4 615.3484 2.1E5 616.3518 3.6E4 632.4985 8.1E3 633.3593 1.2E6 634.3625 1.7E5 END IONS BEGIN IONS FEATURE_ID=37 PEPMASS=633.3609 SCANS=37 RTINSECONDS=1199.137 CHARGE=1+ MSLEVEL=2 72.0813 3.0E3 86.0951 1.2E3 86.0968 1.2E4 91.5060 1.3E3 120.0808 3.7E3 155.1176 1.6E3 171.1122 3.8E3 173.0916 2.7E3 183.1124 3.1E3 191.1023 2.0E3 231.1126 3.3E3 233.1647 8.1E3 254.1488 3.0E3 261.1590 1.2E4 268.1647 1.1E3 272.1597 5.3E3 284.1964 1.1E3 290.1705 5.7E3 300.2060 1.0E3 302.1862 1.6E3 303.1698 8.8E3 304.1732 1.9E3 309.1912 1.0E3 330.1803 5.0E3 337.1856 2.9E3 344.1960 6.2E4 345.1995 6.2E3 345.2125 3.5E3 355.1968 7.1E3 358.1748 3.4E3 362.2068 2.4E3 367.2335 4.3E3 373.2073 1.0E4 385.2437 1.0E3 398.2434 1.2E3 401.2176 2.7E3 415.2332 3.3E3 415.2693 1.6E4 419.2284 1.2E3 433.2430 1.3E3 443.2642 3.6E4 444.2672 3.7E3 450.2701 3.4E3 461.2754 1.7E3 463.2542 2.4E3 468.2806 2.9E3 486.3063 8.5E3 487.2909 1.1E3 502.2647 2.2E3 504.3165 1.7E3 514.3013 3.4E4 515.3052 3.2E3 516.2804 1.3E3 520.2750 5.4E3 532.3112 8.7E3 533.2751 2.8E3 534.2926 8.2E3 544.3115 1.3E3 548.2700 8.4E3 562.3231 2.5E3 587.3537 3.2E3 588.3387 1.7E3 597.3390 6.6E3 605.3641 1.8E4 606.3677 3.0E3 615.3485 2.3E4 616.3522 3.9E3 632.4713 1.9E3 633.3592 1.4E5 633.4750 1.5E3 634.3622 2.1E4 END IONS BEGIN IONS FEATURE_ID=38 PEPMASS=633.4537 SCANS=38 RTINSECONDS=1461.491 CHARGE=1+ MSLEVEL=2 86.0969 7.3E3 120.0808 1.8E3 184.0730 5.1E3 302.1857 1.4E3 303.1697 8.5E3 304.1732 2.1E3 308.1383 2.7E3 344.1961 8.5E3 345.2000 3.5E3 491.3731 2.5E3 492.3757 1.9E3 533.2744 3.0E3 534.2775 2.7E3 632.4336 1.3E3 632.4709 5.0E3 633.3389 6.4E3 633.4537 2.4E5 634.3422 1.2E3 634.4570 3.1E4 END IONS BEGIN IONS FEATURE_ID=39 PEPMASS=634.3929 SCANS=39 RTINSECONDS=716.165 CHARGE=1+ MSLEVEL=2 70.0656 2.8E3 169.1335 9.6E3 185.1649 1.3E3 197.1283 2.1E4 213.1597 6.0E3 226.1183 5.2E4 227.1219 1.5E3 296.1969 1.5E3 310.2120 1.9E4 311.2156 1.1E3 381.2855 9.0E3 409.2801 2.4E4 410.2835 2.1E3 422.2390 2.6E4 423.2422 2.2E3 535.3234 1.0E3 634.3902 3.9E3 END IONS BEGIN IONS FEATURE_ID=40 PEPMASS=634.3931 SCANS=40 RTINSECONDS=737.665 CHARGE=1+ MSLEVEL=2 70.0657 2.5E3 169.1333 8.7E3 185.1646 1.4E3 197.1284 2.0E4 213.1597 4.7E3 226.1184 4.1E4 227.1216 1.1E3 296.1964 1.5E3 310.2119 1.8E4 311.2158 1.2E3 381.2852 9.7E3 409.2801 2.0E4 410.2837 1.7E3 422.2390 2.5E4 423.2421 1.8E3 535.3228 1.2E3 634.3903 2.5E3 END IONS BEGIN IONS FEATURE_ID=41 PEPMASS=634.4522 SCANS=41 RTINSECONDS=1787.119 CHARGE=1+ MSLEVEL=2 57.0704 1.6E3 71.0860 5.9E3 85.1017 5.0E3 87.0445 5.8E3 89.0601 4.0E4 91.5079 1.4E3 121.0648 1.2E3 131.0702 5.3E3 133.0858 5.8E4 134.0891 1.1E3 147.0808 1.7E3 165.0908 5.2E3 167.1069 1.4E3 175.0962 5.2E3 177.1119 2.7E4 184.0732 1.0E4 191.1057 2.3E3 209.1172 4.8E3 211.1327 2.5E3 219.1224 1.1E3 221.1381 7.0E3 235.1326 2.2E3 239.1484 1.5E3 247.2052 7.1E3 253.1424 1.6E3 255.1585 2.0E3 265.1635 2.3E3 273.2208 3.4E3 279.1583 1.6E3 283.1743 2.9E3 289.2520 1.1E3 291.2310 2.7E4 292.2343 1.8E3 299.1852 1.5E3 309.1907 1.3E3 317.2463 2.8E3 335.2572 1.1E4 403.2319 1.3E3 447.2588 1.3E3 491.2841 9.1E3 492.2882 1.2E3 492.3752 6.9E3 493.3898 6.0E3 493.4237 4.8E3 494.3919 1.3E3 494.4272 1.0E3 529.3724 1.3E3 573.3983 1.7E3 617.4247 3.0E4 618.4284 5.1E3 633.4750 4.6E3 634.4509 2.3E4 634.5027 3.1E3 635.4529 2.9E3 END IONS BEGIN IONS FEATURE_ID=42 PEPMASS=636.3389 SCANS=42 RTINSECONDS=894.561 CHARGE=1+ MSLEVEL=2 70.0656 2.9E3 116.0707 2.6E3 233.1281 9.7E3 233.1644 1.8E3 234.1316 1.1E3 261.1229 3.6E4 261.1589 3.9E3 262.1253 1.6E3 279.1335 1.6E3 358.2118 4.5E3 376.1860 3.6E4 377.1888 1.9E3 379.2015 1.4E3 493.2805 2.8E3 521.2755 3.1E3 636.3381 1.1E3 END IONS BEGIN IONS FEATURE_ID=43 PEPMASS=636.3391 SCANS=43 RTINSECONDS=897.424 CHARGE=1+ MSLEVEL=2 70.0656 2.9E3 116.0707 2.6E3 233.1281 9.7E3 233.1644 1.8E3 234.1316 1.1E3 261.1229 3.6E4 261.1589 3.9E3 262.1253 1.6E3 279.1335 1.6E3 358.2118 4.5E3 376.1860 3.6E4 377.1888 1.9E3 379.2015 1.4E3 493.2805 2.8E3 521.2755 3.1E3 636.3381 1.1E3 END IONS BEGIN IONS FEATURE_ID=44 PEPMASS=636.3392 SCANS=44 RTINSECONDS=898.494 CHARGE=1+ MSLEVEL=2 70.0656 2.9E3 116.0707 2.6E3 233.1281 9.7E3 233.1644 1.8E3 234.1316 1.1E3 261.1229 3.6E4 261.1589 3.9E3 262.1253 1.6E3 279.1335 1.6E3 358.2118 4.5E3 376.1860 3.6E4 377.1888 1.9E3 379.2015 1.4E3 493.2805 2.8E3 521.2755 3.1E3 636.3381 1.1E3 END IONS BEGIN IONS FEATURE_ID=45 PEPMASS=636.3393 SCANS=45 RTINSECONDS=900.366 CHARGE=1+ MSLEVEL=2 70.0656 2.9E3 116.0707 2.6E3 233.1281 9.7E3 233.1644 1.8E3 234.1316 1.1E3 261.1229 3.6E4 261.1589 3.9E3 262.1253 1.6E3 279.1335 1.6E3 358.2118 4.5E3 376.1860 3.6E4 377.1888 1.9E3 379.2015 1.4E3 493.2805 2.8E3 521.2755 3.1E3 636.3381 1.1E3 END IONS BEGIN IONS FEATURE_ID=46 PEPMASS=636.4234 SCANS=46 RTINSECONDS=1935.039 CHARGE=1+ MSLEVEL=2 81.0702 1.1E3 95.0857 1.5E3 133.0860 1.1E3 147.1166 1.3E3 165.1270 1.4E3 183.1377 1.9E3 184.0731 7.9E3 201.1488 1.4E3 208.1701 1.8E3 226.1804 3.3E3 239.2367 2.5E3 257.1740 3.0E3 306.1456 3.2E3 313.2731 3.0E3 324.1568 1.2E3 337.1407 1.0E3 362.1715 2.6E3 380.1824 7.4E3 495.4034 2.7E5 495.4400 1.3E4 496.4066 3.2E4 496.4426 1.5E3 549.3742 1.6E3 618.4112 3.5E4 619.4145 4.5E3 636.4189 2.3E3 636.4456 5.4E3 636.5182 2.1E4 637.5222 2.5E3 END IONS BEGIN IONS FEATURE_ID=47 PEPMASS=637.3300 SCANS=47 RTINSECONDS=1024.833 CHARGE=1+ MSLEVEL=2 508.2882 1.4E3 637.3309 1.8E5 638.3337 2.2E4 END IONS BEGIN IONS FEATURE_ID=48 PEPMASS=637.3298 SCANS=48 RTINSECONDS=1127.406 CHARGE=1+ MSLEVEL=2 508.2883 1.7E3 536.2831 1.5E3 545.2819 1.3E3 619.3323 1.2E3 637.3304 2.9E5 638.3329 3.8E4 END IONS BEGIN IONS FEATURE_ID=49 PEPMASS=640.4775 SCANS=49 RTINSECONDS=1302.666 CHARGE=1+ MSLEVEL=2 91.5063 1.2E3 337.2727 3.6E3 368.1598 2.4E3 369.1635 1.4E3 384.2368 1.7E3 402.2476 4.6E3 456.3665 1.2E3 474.3779 7.2E3 538.2925 1.1E3 556.3026 2.7E3 640.4770 3.6E5 641.4802 5.1E4 END IONS BEGIN IONS FEATURE_ID=50 PEPMASS=640.4780 SCANS=50 RTINSECONDS=1699.221 CHARGE=1+ MSLEVEL=2 50.2904 1.4E3 52.4533 1.3E3 52.4873 1.2E3 56.8875 1.3E3 57.0683 1.3E3 62.3395 1.3E3 62.6255 1.3E3 68.2397 1.5E3 71.2004 2.4E3 72.1911 1.7E3 74.7606 1.4E3 74.9327 1.5E3 75.2505 1.6E3 77.1714 1.5E3 82.4598 1.5E3 91.5062 4.0E3 94.2694 1.4E3 94.7267 1.6E3 99.1587 1.8E3 113.3143 1.5E3 114.5453 1.5E3 114.7214 1.7E3 118.2187 1.6E3 143.7209 1.8E3 146.4247 1.6E3 160.2435 2.7E3 171.2816 1.6E3 176.8745 1.6E3 183.7225 1.7E3 188.4738 1.9E3 188.8591 1.6E3 190.2191 1.4E3 202.7160 1.5E3 203.0769 1.5E3 213.5742 1.7E3 215.6905 1.4E3 216.8376 1.9E3 236.1493 5.5E3 239.4768 1.6E3 330.8554 1.9E3 348.9150 1.7E3 363.5516 1.9E3 384.2360 8.4E3 402.2480 2.6E4 403.2522 2.4E3 408.4736 1.8E3 456.3688 4.2E3 458.7256 1.6E3 469.7555 1.9E3 474.3782 3.4E4 475.3814 3.0E3 569.1860 2.1E3 587.3431 2.2E3 588.2084 1.8E3 593.3725 2.2E3 639.4748 2.4E3 639.5381 3.7E3 640.4773 1.6E6 641.4806 2.5E5 661.5648 2.1E3 END IONS BEGIN IONS FEATURE_ID=51 PEPMASS=646.3600 SCANS=51 RTINSECONDS=1395.192 CHARGE=1+ MSLEVEL=2 72.0815 2.5E3 86.0968 2.3E5 87.1002 2.2E3 120.0775 1.1E3 120.0809 1.6E4 162.0909 1.3E3 169.1326 1.0E3 176.1071 2.4E3 184.0731 2.6E3 204.1016 1.1E4 231.1124 2.5E4 232.1163 1.4E3 233.1645 5.6E3 261.1589 3.0E3 275.1744 3.6E3 289.1902 4.7E3 302.1854 4.2E3 303.1698 9.4E4 304.1729 4.6E3 316.2018 2.3E3 317.1855 1.4E5 318.1892 5.7E3 330.1807 2.6E3 344.1964 3.6E5 345.1994 2.2E4 415.2690 5.5E3 429.2852 2.1E3 436.2575 2.5E3 443.2657 1.8E3 450.2377 4.7E3 464.2532 7.5E3 515.2638 2.1E3 520.5071 2.0E3 529.2800 2.3E3 533.2747 4.5E4 534.2776 5.6E3 547.2903 5.2E4 548.2940 6.2E3 572.4135 1.2E3 618.3641 1.2E4 619.3667 2.5E3 645.4749 7.6E3 646.3583 4.5E3 646.4514 1.7E4 646.4791 2.6E3 647.4527 2.3E3 END IONS BEGIN IONS FEATURE_ID=52 PEPMASS=647.3408 SCANS=52 RTINSECONDS=1455.743 CHARGE=1+ MSLEVEL=2 88.0761 2.1E3 89.0601 1.7E3 91.5080 1.5E3 133.0857 2.2E3 177.1120 1.1E3 184.0734 3.1E3 344.1955 1.1E3 521.5113 1.1E3 523.4194 4.1E3 568.4772 1.3E4 628.4407 1.1E3 646.4509 1.3E4 646.4788 3.2E3 647.3400 5.5E5 647.4536 9.2E3 648.3431 6.3E4 END IONS BEGIN IONS FEATURE_ID=53 PEPMASS=647.3753 SCANS=53 RTINSECONDS=957.658 CHARGE=1+ MSLEVEL=2 86.0967 1.4E3 120.0810 1.1E3 171.1125 1.2E3 261.1593 2.7E3 272.1595 2.6E3 330.1807 1.5E3 344.1957 8.0E3 348.1910 1.0E3 362.2062 3.9E3 367.2325 1.6E3 385.2434 2.7E3 389.2541 1.1E3 415.2331 2.8E3 415.2693 2.4E3 419.2282 1.4E3 433.2441 1.7E3 433.2800 2.0E3 443.2645 9.4E3 444.2680 1.2E3 461.2753 3.6E3 487.2904 1.1E3 504.3174 2.9E3 514.3015 4.6E3 532.3115 3.8E3 647.3145 1.4E4 647.3731 2.6E3 648.3189 2.5E3 END IONS BEGIN IONS FEATURE_ID=54 PEPMASS=650.3539 SCANS=54 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 51.3027 3.2E3 52.1579 3.3E3 52.9175 3.1E3 54.1248 3.4E3 54.1692 3.6E3 54.3879 3.5E3 59.0384 3.3E3 63.0593 3.4E3 64.6346 3.7E3 66.3511 3.6E3 66.7552 3.6E3 66.9730 3.6E3 67.2410 3.6E3 72.0812 2.0E4 72.8627 3.7E3 74.2210 5.9E3 81.4893 4.8E3 82.9732 5.1E3 85.4811 3.9E3 86.0410 3.6E3 86.0968 4.6E5 86.6196 3.6E3 86.9205 3.5E3 87.1001 5.9E3 87.1143 4.4E3 87.1220 3.8E3 87.9290 3.4E3 87.9900 4.1E3 89.6880 3.9E3 91.1310 3.4E3 92.8714 4.0E3 94.0404 3.8E3 98.2230 4.0E3 102.3834 3.5E3 112.7068 3.9E3 120.0808 1.0E5 145.5442 4.1E3 155.1178 4.9E3 162.0903 6.0E3 179.1970 4.7E3 183.8957 4.0E3 190.0858 7.2E3 201.1227 4.3E3 203.0609 4.6E3 221.1276 1.4E4 231.1124 8.1E4 233.1644 2.1E4 249.1227 3.3E4 261.1593 3.0E4 275.1747 3.0E4 275.8287 4.2E3 276.1696 9.7E3 302.1857 7.8E3 303.1699 1.2E6 304.1731 5.7E4 318.1806 2.6E4 320.1960 8.2E3 330.1807 2.8E4 344.1963 8.2E5 345.2000 4.7E4 348.1910 9.3E3 349.4521 4.5E3 362.2064 5.4E4 385.4682 4.3E3 389.2533 1.2E4 415.2688 9.5E3 422.2431 4.9E4 433.2798 8.6E3 443.2639 2.8E4 450.2379 4.2E5 451.2411 4.2E4 462.0992 4.6E3 505.2801 1.3E4 507.2593 8.4E4 508.2621 1.1E4 515.2636 6.6E3 523.2905 1.6E4 533.2747 7.7E5 534.2783 9.5E4 551.2848 1.3E5 552.2866 7.4E3 604.3487 1.5E4 614.3309 6.8E3 632.3434 8.1E4 633.3450 9.8E3 650.3524 7.3E3 END IONS BEGIN IONS FEATURE_ID=55 PEPMASS=650.3543 SCANS=55 RTINSECONDS=1319.973 CHARGE=1+ MSLEVEL=2 72.0812 1.1E3 86.0968 4.4E4 91.5080 1.2E3 120.0807 9.2E3 184.0729 3.2E3 190.0857 1.2E3 231.1124 7.9E3 233.1647 1.4E3 249.1227 2.9E3 261.1592 2.7E3 275.1747 2.5E3 303.1698 1.1E5 304.1734 4.7E3 318.1808 1.4E3 330.1805 2.3E3 344.1963 5.3E4 345.1992 2.7E3 348.1917 2.4E3 355.0694 1.3E3 359.0280 2.0E3 362.2061 3.6E3 422.2428 4.7E3 429.0876 3.1E3 443.2640 1.2E3 450.2377 3.2E4 451.2416 3.0E3 505.2800 1.1E3 507.2596 5.6E3 508.2625 1.1E3 515.2648 1.2E3 533.2748 6.5E4 534.2777 7.8E3 551.2852 1.2E4 552.2886 1.2E3 563.3906 2.6E3 604.3481 1.6E3 632.3425 6.7E3 633.3452 1.6E3 650.3530 1.8E3 650.4600 6.9E3 650.4965 1.6E3 650.5340 1.9E3 651.4631 1.1E3 END IONS BEGIN IONS FEATURE_ID=56 PEPMASS=651.3719 SCANS=56 RTINSECONDS=780.515 CHARGE=1+ MSLEVEL=2 86.0969 1.4E3 191.1026 1.2E3 201.1237 1.6E3 233.1645 1.3E3 239.0946 1.3E3 261.1592 5.0E3 272.1599 2.8E3 330.1809 1.3E3 344.1963 1.3E4 355.0695 2.5E3 359.0275 4.0E3 362.2067 7.7E3 373.2073 2.6E3 385.2432 1.5E3 391.2182 1.9E3 415.2333 1.5E3 415.2697 4.6E3 417.2493 1.6E3 419.2278 1.2E3 429.0878 4.6E3 433.2805 5.8E3 443.2646 2.6E4 444.2679 3.0E3 461.2747 9.6E3 462.2779 1.1E3 504.3175 2.6E3 514.3008 4.2E3 532.3122 4.6E3 538.2852 1.1E3 633.3592 4.0E3 634.3617 1.0E3 651.3704 1.1E4 652.3735 1.9E3 END IONS BEGIN IONS FEATURE_ID=57 PEPMASS=651.3712 SCANS=57 RTINSECONDS=916.473 CHARGE=1+ MSLEVEL=2 86.0968 1.3E3 191.1026 1.2E3 201.1238 1.7E3 233.1644 1.4E3 239.0947 1.2E3 261.1590 3.9E3 272.1599 2.7E3 344.1962 7.5E3 355.0689 2.5E3 359.0280 3.6E3 362.2062 4.2E3 373.2078 1.7E3 389.2540 1.4E3 391.2177 2.3E3 415.2333 1.9E3 415.2694 3.5E3 417.2493 1.2E3 419.2283 1.2E3 429.0878 5.0E3 430.0887 1.3E3 433.2803 4.6E3 443.2644 1.5E4 444.2690 1.5E3 461.2749 6.5E3 487.2903 1.3E3 504.3170 1.9E3 514.3008 3.7E3 532.3115 3.4E3 633.3599 2.7E3 651.3699 2.2E4 652.3726 4.3E3 END IONS BEGIN IONS FEATURE_ID=58 PEPMASS=652.4122 SCANS=58 RTINSECONDS=654.942 CHARGE=1+ MSLEVEL=2 70.0656 1.6E3 89.0602 4.0E3 133.0858 4.6E3 169.1336 3.3E3 177.1123 3.0E3 197.1283 4.9E3 213.1592 2.0E3 244.1289 7.0E4 245.1319 1.9E3 310.2119 7.3E3 359.0280 1.7E3 360.0279 1.2E3 381.2852 3.3E3 409.2802 8.8E3 429.0885 1.2E3 430.0884 1.2E3 440.2498 2.5E4 441.2533 1.8E3 635.3842 1.6E3 652.4012 3.9E3 END IONS BEGIN IONS FEATURE_ID=59 PEPMASS=652.4041 SCANS=59 RTINSECONDS=662.486 CHARGE=1+ MSLEVEL=2 70.0656 1.6E3 89.0602 4.0E3 133.0858 4.6E3 169.1336 3.3E3 177.1123 3.0E3 197.1283 4.9E3 213.1592 2.0E3 244.1289 7.0E4 245.1319 1.9E3 310.2119 7.3E3 359.0280 1.7E3 360.0279 1.2E3 381.2852 3.3E3 409.2802 8.8E3 429.0885 1.2E3 430.0884 1.2E3 440.2498 2.5E4 441.2533 1.8E3 635.3842 1.6E3 652.4012 3.9E3 END IONS BEGIN IONS FEATURE_ID=60 PEPMASS=654.4937 SCANS=60 RTINSECONDS=1699.221 CHARGE=1+ MSLEVEL=2 184.0735 1.3E3 338.2658 8.6E3 339.2699 2.2E3 390.2480 4.2E3 416.2636 3.5E3 456.3683 1.0E3 474.3779 5.4E3 500.3930 4.0E3 512.4020 2.3E3 513.4047 1.5E3 653.4798 2.0E4 654.4924 4.2E5 655.4958 5.8E4 END IONS BEGIN IONS FEATURE_ID=61 PEPMASS=655.3815 SCANS=61 RTINSECONDS=1504.504 CHARGE=1 MSLEVEL=2 126.1276 3.0E3 184.0732 1.1E3 236.1491 1.0E3 273.1955 1.4E4 274.1996 1.1E3 301.1904 1.7E4 302.1945 1.4E3 338.1708 1.0E3 344.1961 1.9E3 355.1968 1.7E3 384.2273 3.1E4 385.2307 2.4E3 390.2469 1.6E3 402.2379 4.6E3 415.2701 1.1E3 416.2630 2.0E3 443.2643 4.2E3 455.3007 6.5E3 473.3113 1.6E3 474.3775 3.7E3 483.2956 2.3E4 484.2986 3.3E3 485.2746 4.0E3 500.3937 2.2E3 501.3059 3.7E3 514.3024 1.7E3 542.2960 2.1E3 554.3326 3.5E3 556.3122 3.8E3 556.3466 2.0E3 584.3423 3.0E3 627.3853 3.1E3 638.4984 3.1E3 654.4926 1.3E5 655.3804 3.3E4 655.4621 3.2E3 655.4959 1.1E5 656.3842 5.0E3 656.4357 1.5E3 656.4716 8.9E3 656.5073 4.4E4 END IONS BEGIN IONS FEATURE_ID=62 PEPMASS=657.3598 SCANS=62 RTINSECONDS=1071.111 CHARGE=1+ MSLEVEL=2 72.0811 2.3E3 120.0809 1.7E4 128.1066 1.0E3 156.1016 1.7E3 171.1124 1.4E3 183.1125 1.6E3 201.1233 5.0E3 221.1283 2.8E3 231.1126 1.9E4 232.1159 1.2E3 254.1492 2.9E3 267.1331 1.7E3 272.1595 1.1E3 302.1860 1.8E3 303.1697 1.7E4 304.1738 1.0E3 310.1758 1.5E3 330.1804 1.1E4 331.1836 1.2E3 332.1599 2.5E3 337.1859 2.8E3 338.1703 2.9E3 355.1970 1.1E4 358.2119 1.7E3 360.1908 7.5E3 368.1963 1.0E3 373.2228 1.7E3 376.2224 4.5E3 383.1919 1.8E3 385.1857 1.0E3 386.2067 1.5E5 387.2103 1.3E4 401.2178 6.2E3 403.1977 1.4E3 403.2332 1.3E3 404.2171 1.7E4 405.2202 1.8E3 413.2177 2.3E3 431.2284 4.1E3 457.2439 1.4E3 457.2798 7.7E3 459.2587 2.0E3 474.2705 2.4E3 484.2545 4.0E3 485.2751 6.2E4 486.2783 7.4E3 487.2540 4.8E3 502.2649 1.5E4 503.2680 1.2E3 503.2862 2.0E3 556.3116 6.4E3 557.3156 1.1E3 558.2910 1.1E3 629.3640 2.3E3 639.2313 1.5E3 639.3499 2.4E3 648.2374 2.1E3 648.7399 1.7E3 656.4711 1.2E3 656.5076 6.3E3 657.2417 5.7E3 657.5114 4.7E3 657.7431 6.0E3 658.2407 1.4E3 END IONS BEGIN IONS FEATURE_ID=63 PEPMASS=657.3593 SCANS=63 RTINSECONDS=1103.32 CHARGE=1+ MSLEVEL=2 72.0812 1.8E3 86.0968 1.6E4 171.1126 1.5E3 173.1279 1.2E3 190.0857 1.5E3 197.1284 7.6E3 201.1232 3.0E3 215.1394 1.1E3 254.1493 1.7E3 267.1335 1.2E3 296.1964 4.9E3 298.1759 1.1E3 303.1699 1.9E4 304.1736 1.2E3 337.1861 1.7E3 338.1701 2.0E3 355.1967 8.6E3 358.2119 1.6E3 360.1910 4.2E3 367.2332 2.9E3 376.2223 2.1E3 386.2068 1.0E5 387.2102 7.9E3 404.2170 1.5E4 405.2200 1.1E3 431.2647 1.1E3 440.2870 1.0E3 450.2704 2.2E3 457.2804 6.1E3 468.2808 7.6E3 485.2750 5.0E4 486.2787 4.9E3 487.2544 3.3E3 503.2859 2.3E3 556.3118 7.2E3 639.2320 1.1E3 639.3498 3.1E3 648.2375 2.3E3 648.7363 1.9E3 656.4710 2.0E3 656.5076 1.0E4 657.2419 5.9E3 657.3613 1.5E3 657.4755 1.3E3 657.5118 9.9E3 657.7423 5.4E3 658.2398 1.2E3 658.4854 1.3E3 END IONS BEGIN IONS FEATURE_ID=64 PEPMASS=657.3589 SCANS=64 RTINSECONDS=1141.182 CHARGE=1+ MSLEVEL=2 50.4842 1.6E3 52.9267 1.7E3 53.0467 1.7E3 53.0585 1.6E3 54.0766 1.8E3 55.7370 1.5E3 57.4250 1.5E3 57.5367 1.7E3 66.1881 1.6E3 68.1821 1.5E3 68.6853 1.9E3 71.1305 1.7E3 71.9767 1.5E3 72.0812 1.2E4 74.0604 3.2E3 74.0934 1.6E3 75.6376 2.2E3 78.9010 1.9E3 79.9595 1.7E3 86.0966 6.1E3 91.5082 5.9E3 98.6721 1.8E3 104.4872 2.3E3 105.2542 2.0E3 107.8763 2.3E3 112.6455 1.7E3 114.4287 2.0E3 120.0775 4.1E3 120.0807 1.0E5 125.6439 2.1E3 127.9269 1.8E3 128.1036 2.0E3 128.1069 7.3E3 136.1892 2.1E3 138.2908 1.8E3 155.1171 2.5E3 156.1010 9.9E3 159.8735 1.9E3 160.8365 2.0E3 163.0733 1.8E3 165.1019 3.8E3 169.8912 1.8E3 171.1125 1.2E4 173.1281 7.6E3 178.8241 2.1E3 183.1124 7.6E3 192.8943 2.5E3 194.3626 2.2E3 194.7342 2.2E3 199.9188 1.9E3 201.1231 2.0E4 211.1082 2.3E3 214.8037 2.0E3 218.7718 1.9E3 218.8449 1.9E3 220.9198 1.8E3 221.1285 2.1E4 231.1125 8.7E4 232.1160 4.0E3 248.1385 3.2E3 249.1229 8.4E3 254.1494 1.2E4 266.1494 3.4E3 267.1332 7.8E3 272.1597 6.2E3 276.1702 3.2E3 279.1514 2.2E3 282.1444 3.5E3 284.1593 2.5E3 285.1591 3.8E3 302.1496 2.8E3 302.1857 8.3E3 303.1697 1.3E5 304.1644 2.1E3 304.1732 4.7E3 309.1909 4.6E3 310.1757 7.1E3 320.1965 7.4E3 327.2020 2.5E3 330.1803 6.8E4 331.1834 3.4E3 332.1596 1.4E4 337.1863 1.3E4 338.1696 1.2E4 347.2073 3.7E3 348.1907 2.5E3 355.1966 7.1E4 356.1993 4.5E3 358.2122 1.5E4 360.1908 4.3E4 361.1947 4.5E3 368.1974 2.8E3 373.2227 7.7E3 376.2223 2.1E4 383.1917 1.2E4 385.1863 6.1E3 386.2066 8.7E5 387.2102 6.1E4 401.2177 3.8E4 402.2218 4.5E3 403.1976 6.7E3 403.2337 9.9E3 404.2172 1.2E5 405.2207 7.9E3 413.2180 1.3E4 418.1842 2.2E3 431.2279 1.8E4 431.2650 4.0E3 450.3435 2.1E3 457.2442 7.6E3 457.2798 4.9E4 458.2842 3.6E3 459.2597 1.2E4 474.2704 1.1E4 475.2921 4.7E3 476.0933 2.3E3 484.2544 2.2E4 485.2750 4.3E5 486.2783 4.8E4 487.2541 2.4E4 488.2574 3.0E3 502.2648 1.0E5 502.3022 3.2E3 503.2673 1.0E4 503.2856 2.1E4 505.1018 2.1E3 556.3115 5.2E4 557.3140 5.8E3 558.2901 3.9E3 568.3129 2.5E3 586.3232 5.5E3 629.3638 1.0E4 639.3478 1.8E4 639.7307 2.7E3 647.9834 2.3E3 648.2407 2.7E3 649.2310 2.3E3 656.4697 3.9E3 656.5081 1.2E4 657.2388 2.4E3 657.3598 6.3E3 657.5098 8.0E3 663.3740 2.1E3 END IONS BEGIN IONS FEATURE_ID=65 PEPMASS=657.3599 SCANS=65 RTINSECONDS=1156.466 CHARGE=1+ MSLEVEL=2 56.0227 1.0E3 59.5200 1.0E3 72.0812 1.3E4 72.0823 1.9E3 75.0274 1.2E3 79.4117 1.2E3 82.6348 1.1E3 82.6439 1.3E3 86.0968 1.1E5 87.0999 1.2E3 96.8566 1.1E3 107.8764 2.0E3 120.0802 5.2E3 120.6697 1.1E3 131.1177 1.0E3 133.8276 1.0E3 133.8357 1.2E3 139.0864 2.0E3 140.7757 1.3E3 143.3077 1.1E3 155.1175 2.2E3 162.0909 5.9E3 169.1328 1.2E3 171.1129 9.5E3 173.0913 1.7E3 173.1284 6.8E3 183.1124 1.1E4 187.1439 1.9E3 190.0859 1.5E4 191.4374 1.1E3 197.1283 4.7E4 198.1316 2.6E3 201.1232 1.3E4 209.1282 1.5E3 210.1232 1.5E3 211.1079 2.2E3 214.1554 1.7E3 215.1392 3.9E3 227.1389 2.3E3 228.1340 2.4E3 231.1124 1.7E3 239.1381 2.1E3 254.1492 9.8E3 258.8015 1.1E3 266.1492 2.7E3 267.1334 1.1E4 268.2007 4.7E3 272.1600 4.8E3 275.1743 5.7E3 282.1440 3.0E3 284.1600 2.1E3 296.1963 4.4E4 296.7637 1.4E3 297.2000 3.1E3 298.1752 5.8E3 303.1696 9.4E4 304.1736 6.1E3 306.7072 1.1E3 309.1913 4.6E3 310.1750 6.7E3 320.1961 3.0E3 327.2025 3.5E3 337.1858 1.4E4 338.1700 2.2E4 339.1741 1.5E3 339.2380 3.7E3 355.1966 5.9E4 356.2003 2.5E3 358.2110 6.9E3 359.6983 1.1E3 360.1909 8.9E3 361.1939 2.0E3 367.2332 2.7E4 368.1955 2.0E3 368.2357 1.9E3 369.2125 2.1E3 376.2220 5.8E3 379.2330 6.6E3 379.7674 1.4E3 380.1387 1.1E3 383.1914 8.4E3 386.2065 8.2E5 387.2100 6.5E4 390.1451 1.5E3 397.2434 5.6E3 403.2332 4.2E3 404.2172 4.6E4 405.2210 3.2E3 431.2624 1.5E3 440.2858 5.4E3 450.2710 6.1E3 457.2442 1.5E3 457.2796 4.7E4 458.2831 4.9E3 459.2596 1.6E3 467.2635 1.5E3 468.2807 4.9E4 469.2841 5.4E3 475.2907 1.9E3 485.2749 4.5E5 486.2784 5.2E4 487.2537 3.1E4 488.2572 4.0E3 502.2652 1.6E3 502.3012 2.1E3 503.2842 8.5E3 504.2882 1.6E3 528.3165 1.8E3 556.3115 5.5E4 557.3149 7.3E3 558.2912 6.9E3 558.3262 3.4E3 568.3110 1.4E3 586.3210 8.6E3 608.2303 1.5E3 629.3632 6.9E3 639.3487 8.4E3 639.7295 1.3E3 640.3527 2.0E3 648.2371 3.2E3 656.4745 2.4E3 656.5080 1.9E4 657.2398 7.9E3 657.3333 1.3E4 657.3599 9.1E3 657.4714 1.2E3 657.4803 1.5E3 657.5104 1.6E4 657.7406 3.5E3 658.3634 2.3E3 658.4490 1.4E3 END IONS BEGIN IONS FEATURE_ID=66 PEPMASS=657.3603 SCANS=66 RTINSECONDS=1197.227 CHARGE=1+ MSLEVEL=2 72.0809 1.1E3 86.0965 4.2E3 120.0803 1.5E3 197.1281 2.2E3 201.1225 1.0E3 296.1965 2.5E3 303.1699 5.5E3 330.1805 1.1E3 355.1968 4.0E3 367.2326 1.0E3 376.2217 1.0E3 386.2065 4.6E4 387.2103 3.3E3 404.2173 4.0E3 429.2857 4.3E3 430.2887 2.0E3 457.2800 3.1E3 468.2805 2.7E3 474.3775 1.5E3 485.2746 2.5E4 486.2777 3.5E3 487.2533 1.6E3 556.3115 3.1E3 630.2260 1.3E3 638.4991 1.4E3 639.2317 1.0E3 639.5016 1.0E3 639.7292 1.0E3 648.2372 1.5E3 648.7337 1.0E3 656.4714 2.8E3 656.5081 2.4E4 657.2428 4.8E3 657.3342 5.3E4 657.4753 3.0E3 657.5116 1.7E4 657.7407 3.8E3 658.3379 8.8E3 658.4519 1.1E3 658.4875 1.7E3 658.5148 1.0E3 END IONS BEGIN IONS FEATURE_ID=67 PEPMASS=657.3594 SCANS=67 RTINSECONDS=1201.049 CHARGE=1+ MSLEVEL=2 72.0809 1.1E3 86.0965 4.2E3 120.0803 1.5E3 197.1281 2.2E3 201.1225 1.0E3 296.1965 2.5E3 303.1699 5.5E3 330.1805 1.1E3 355.1968 4.0E3 367.2326 1.0E3 376.2217 1.0E3 386.2065 4.6E4 387.2103 3.3E3 404.2173 4.0E3 429.2857 4.3E3 430.2887 2.0E3 457.2800 3.1E3 468.2805 2.7E3 474.3775 1.5E3 485.2746 2.5E4 486.2777 3.5E3 487.2533 1.6E3 556.3115 3.1E3 630.2260 1.3E3 638.4991 1.4E3 639.2317 1.0E3 639.5016 1.0E3 639.7292 1.0E3 648.2372 1.5E3 648.7337 1.0E3 656.4714 2.8E3 656.5081 2.4E4 657.2428 4.8E3 657.3342 5.3E4 657.4753 3.0E3 657.5116 1.7E4 657.7407 3.8E3 658.3379 8.8E3 658.4519 1.1E3 658.4875 1.7E3 658.5148 1.0E3 END IONS BEGIN IONS FEATURE_ID=68 PEPMASS=658.5101 SCANS=68 RTINSECONDS=1960.719 CHARGE=1+ MSLEVEL=2 59.0498 2.2E3 87.0445 3.6E3 89.0601 8.1E4 117.0911 4.3E3 131.0704 3.5E3 133.0858 1.2E5 134.0894 1.4E3 175.0965 2.6E3 175.1323 1.2E3 177.1118 6.1E4 184.0732 1.6E3 221.1382 1.4E4 239.1487 3.6E3 265.1640 4.7E3 282.2785 1.4E3 283.1743 5.6E3 283.2819 1.1E3 309.1893 3.2E3 327.2004 4.2E3 353.2159 2.7E3 371.2267 5.9E3 415.2526 1.6E4 416.2556 3.1E3 459.2790 8.7E4 460.2820 7.1E3 517.3856 2.3E3 615.3621 1.4E3 621.5994 1.1E3 639.6104 8.3E3 640.3937 2.0E3 640.6135 3.2E3 641.4821 2.3E3 657.4755 1.7E3 657.5109 1.2E4 657.6194 1.4E3 658.4033 1.6E3 658.4503 6.7E3 658.4852 6.0E3 658.5097 2.1E4 659.4528 1.4E3 659.4882 1.0E3 659.5144 2.3E3 END IONS BEGIN IONS FEATURE_ID=69 PEPMASS=659.2703 SCANS=69 RTINSECONDS=1041.817 CHARGE=1+ MSLEVEL=2 75.0445 1.2E3 93.0550 5.6E3 106.0654 1.4E4 132.0441 1.3E3 150.0551 2.0E3 199.1230 1.2E3 224.0916 4.4E3 225.1020 4.6E4 226.1055 1.7E3 243.1124 1.1E3 299.1379 1.8E3 317.1489 1.5E4 318.1529 1.0E3 343.1279 4.0E3 475.1757 2.9E3 493.1858 7.4E3 541.2437 2.2E3 549.2100 1.1E3 567.2223 1.5E4 568.2259 1.5E3 641.2589 7.3E3 658.4512 1.1E3 659.2697 1.1E3 END IONS BEGIN IONS FEATURE_ID=70 PEPMASS=659.2701 SCANS=70 RTINSECONDS=1065.207 CHARGE=1+ MSLEVEL=2 75.0445 1.2E3 93.0550 5.6E3 106.0654 1.4E4 132.0441 1.3E3 150.0551 2.0E3 199.1230 1.2E3 224.0916 4.4E3 225.1020 4.6E4 226.1055 1.7E3 243.1124 1.1E3 299.1379 1.8E3 317.1489 1.5E4 318.1529 1.0E3 343.1279 4.0E3 475.1757 2.9E3 493.1858 7.4E3 541.2437 2.2E3 549.2100 1.1E3 567.2223 1.5E4 568.2259 1.5E3 641.2589 7.3E3 658.4512 1.1E3 659.2697 1.1E3 END IONS BEGIN IONS FEATURE_ID=71 PEPMASS=661.3325 SCANS=71 RTINSECONDS=1020.659 CHARGE=1+ MSLEVEL=2 70.0656 1.1E3 106.0654 1.1E3 217.1333 2.3E3 235.1436 1.4E3 245.1280 9.2E3 254.1494 2.4E3 263.1386 1.5E3 360.1906 1.3E3 371.2066 2.2E3 386.2060 2.1E3 389.2176 3.0E3 399.2017 1.4E4 400.2053 1.4E3 408.1910 1.2E3 417.2128 5.3E3 498.2713 2.1E3 562.2644 1.1E3 633.3380 4.9E3 661.3326 9.0E3 662.3342 1.1E3 END IONS BEGIN IONS FEATURE_ID=72 PEPMASS=664.4626 SCANS=72 RTINSECONDS=1642.27 CHARGE=1+ MSLEVEL=2 57.0705 3.0E3 87.0445 3.6E3 89.0601 1.4E4 121.0650 1.0E3 131.0701 3.0E3 133.0859 2.3E4 165.0909 3.0E3 175.0965 3.2E3 177.1120 1.4E4 184.0730 4.5E3 191.1064 1.5E3 209.1172 1.4E3 211.1330 1.5E3 221.1377 3.7E3 233.1898 2.5E3 235.1327 1.6E3 253.1430 1.1E3 255.1587 1.4E3 259.2050 2.3E3 265.1650 1.7E3 277.2156 1.3E4 283.1744 1.2E3 303.2312 1.7E3 309.1909 1.2E3 321.2417 5.4E3 522.4229 4.2E3 522.4572 1.6E3 523.4262 1.4E3 523.4719 6.3E3 524.4742 1.1E3 535.3109 5.5E3 576.3940 1.4E3 603.4084 1.0E3 647.4352 1.8E4 648.4384 3.4E3 663.4641 2.6E3 663.5025 1.4E3 664.4616 1.6E4 664.5146 1.2E3 664.5490 2.5E3 665.4618 1.9E3 END IONS BEGIN IONS FEATURE_ID=73 PEPMASS=665.3868 SCANS=73 RTINSECONDS=861.583 CHARGE=1+ MSLEVEL=2 86.0970 1.4E3 187.1075 1.4E3 205.1185 1.1E3 261.1591 3.8E3 272.1601 1.1E3 344.1961 9.1E3 362.2065 4.8E3 387.2234 1.1E3 389.2532 1.2E3 415.2693 2.6E3 419.2280 1.1E3 433.2803 3.0E3 443.2646 1.7E4 444.2691 1.5E3 461.2749 5.7E3 504.3181 1.8E3 514.3011 3.6E3 532.3119 3.3E3 647.3746 3.2E3 665.3857 6.0E3 666.3884 1.0E3 END IONS BEGIN IONS FEATURE_ID=74 PEPMASS=665.3863 SCANS=74 RTINSECONDS=1107.143 CHARGE=1+ MSLEVEL=2 86.0969 7.6E3 120.0808 2.1E3 173.1287 1.0E3 187.1075 1.2E3 205.1176 2.0E3 231.1126 1.5E3 233.1643 1.4E3 261.1591 4.6E3 272.1600 2.5E3 286.1759 1.4E3 303.1694 4.6E3 304.1736 1.3E3 317.1852 9.5E3 318.1890 2.3E3 330.1805 1.3E3 344.1961 2.4E4 345.1995 4.5E3 348.1919 1.0E3 362.2067 6.4E3 367.2336 1.5E3 385.2439 1.4E3 387.2231 2.1E3 389.2540 1.7E3 405.2337 1.4E3 415.2326 1.3E3 415.2692 4.0E3 417.2486 1.2E3 419.2276 1.3E3 433.2804 5.0E3 443.2645 2.0E4 444.2671 1.5E3 450.2383 2.3E3 451.2408 1.2E3 461.2749 7.6E3 464.2538 2.5E3 465.2565 1.4E3 487.2902 1.2E3 504.3175 2.4E3 514.3018 4.4E3 532.3121 4.2E3 533.2746 2.7E3 534.2776 1.8E3 547.2897 4.2E3 548.2933 3.0E3 647.3766 6.2E3 665.3257 1.2E4 665.3847 2.5E4 666.3281 1.5E3 666.3881 2.7E3 666.4924 3.9E3 END IONS BEGIN IONS FEATURE_ID=75 PEPMASS=670.4283 SCANS=75 RTINSECONDS=968.064 CHARGE=1+ MSLEVEL=2 70.0656 1.3E3 296.1963 1.2E3 342.1805 1.4E3 375.2387 1.1E3 455.2640 4.0E3 472.2909 9.3E4 473.2946 7.3E3 653.4000 5.2E3 670.4265 2.1E3 670.4865 1.1E3 END IONS BEGIN IONS FEATURE_ID=76 PEPMASS=671.4117 SCANS=76 RTINSECONDS=1051.54 CHARGE=1+ MSLEVEL=2 70.0644 1.4E3 70.0657 8.7E3 120.0809 1.9E3 171.1489 1.0E3 195.1129 2.1E3 199.1442 7.8E3 225.1234 1.1E3 245.1283 2.5E3 279.1696 3.8E3 296.1963 6.4E3 342.1803 6.7E3 360.1914 4.6E3 376.2224 1.3E4 393.2487 2.0E3 472.2634 1.1E3 473.2752 6.6E5 474.2786 6.0E4 540.3167 1.4E3 572.3433 2.9E3 653.4019 1.5E3 670.4867 1.5E3 671.4115 6.3E3 671.4911 1.3E3 END IONS BEGIN IONS FEATURE_ID=77 PEPMASS=672.5258 SCANS=77 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 87.0444 3.0E3 89.0601 7.0E4 117.0911 1.4E3 130.0862 1.4E3 131.0703 2.5E3 133.0858 1.0E5 134.0893 1.6E3 175.0965 2.6E3 177.1119 4.9E4 178.1151 1.8E3 221.1381 1.2E4 239.1488 2.6E3 265.1641 3.4E3 283.1747 3.8E3 309.1905 2.3E3 327.2007 3.1E3 353.2168 2.3E3 371.2267 5.6E3 415.2528 1.7E4 416.2562 4.1E3 459.2791 6.7E4 460.2822 4.5E3 672.5247 1.4E4 673.5279 1.9E3 END IONS BEGIN IONS FEATURE_ID=78 PEPMASS=675.3703 SCANS=78 RTINSECONDS=1006.865 CHARGE=1+ MSLEVEL=2 86.0968 5.5E3 171.1124 1.6E3 190.0860 1.1E3 197.1283 3.9E3 272.1596 3.1E3 290.1697 1.5E3 296.1961 2.4E3 303.1695 3.9E3 367.2328 1.9E3 373.2077 3.0E3 386.2064 4.3E4 387.2099 2.8E3 404.2170 4.7E3 457.2798 4.7E3 468.2793 1.6E3 485.2748 2.3E4 486.2772 1.6E3 486.2927 4.4E3 503.2856 4.0E3 505.2633 1.5E3 556.3114 5.4E3 574.3217 2.9E3 604.3317 1.0E3 647.3737 1.5E3 657.3597 5.6E3 675.3702 3.2E3 END IONS BEGIN IONS FEATURE_ID=79 PEPMASS=679.3417 SCANS=79 RTINSECONDS=1179.477 CHARGE=1+ MSLEVEL=2 479.2622 1.4E3 550.2990 5.3E3 578.2932 3.2E3 635.3519 1.4E3 661.3314 1.2E3 678.4923 1.9E3 679.3411 8.5E5 680.3442 1.3E5 END IONS BEGIN IONS FEATURE_ID=80 PEPMASS=682.4888 SCANS=80 RTINSECONDS=1691.467 CHARGE=1+ MSLEVEL=2 184.0730 1.3E3 236.1490 1.3E3 426.2470 2.1E3 444.2580 5.6E3 456.3653 1.9E3 474.3779 9.9E3 604.4924 3.0E3 664.4764 3.9E3 664.5139 1.5E3 681.4758 3.1E3 681.5112 8.9E3 682.4875 3.6E5 682.5189 1.8E4 683.4907 4.9E4 683.5248 2.1E3 END IONS BEGIN IONS FEATURE_ID=81 PEPMASS=691.3439 SCANS=81 RTINSECONDS=1131.257 CHARGE=1+ MSLEVEL=2 51.8582 5.7E3 52.6929 6.7E3 54.7580 5.6E3 55.3347 5.7E3 55.5448 5.8E3 56.0950 6.3E3 57.7358 6.3E3 61.4451 5.7E3 61.6374 6.5E3 63.4213 6.5E3 64.5033 5.7E3 65.4716 5.8E3 65.7004 7.5E3 72.0811 1.5E4 72.0816 1.4E4 80.6258 1.0E4 87.1856 6.9E3 88.4476 6.3E3 90.7667 7.0E3 91.8264 6.2E3 93.3180 6.9E3 93.8091 8.4E3 102.9529 7.4E3 105.9845 8.1E3 110.5476 7.0E3 111.0021 7.9E3 112.4252 7.0E3 120.0808 2.8E5 121.3867 7.2E3 124.6584 6.7E3 132.1714 6.9E3 148.5950 6.8E3 152.4139 7.4E3 153.8867 6.6E3 155.1180 7.8E3 159.0269 7.5E3 162.0910 1.2E4 168.5145 7.3E3 171.1126 2.4E4 173.1282 1.4E4 179.2382 7.5E3 183.1123 8.0E3 190.0859 3.2E4 201.1235 4.1E4 206.2714 6.9E3 219.5526 7.2E3 221.1286 5.0E4 229.2143 7.9E3 231.1124 2.8E5 232.1157 1.8E4 239.2703 7.5E3 245.7665 7.8E3 249.1233 2.2E4 254.1498 2.8E4 266.1494 1.2E4 267.1334 7.9E3 272.1609 1.1E4 276.1697 8.4E3 278.8682 7.1E3 302.1859 2.8E4 303.9068 6.9E3 309.1910 1.1E4 310.1762 1.2E4 330.1803 1.4E5 332.1600 2.4E4 337.1538 3.2E5 337.1861 4.3E4 338.1575 1.6E4 338.1705 3.2E4 355.1968 1.1E5 373.2242 1.2E4 378.1766 7.9E3 383.1924 2.7E4 385.1864 1.0E4 392.1960 4.1E4 394.1754 1.2E5 395.1773 9.6E3 401.2177 8.7E4 402.1791 6.8E3 405.7363 8.6E3 410.2067 5.0E4 413.2173 2.7E4 414.7819 7.4E3 420.1909 1.9E6 421.1943 1.8E5 431.2285 3.7E4 438.2015 2.5E5 439.2050 2.8E4 460.0721 7.5E3 465.2505 1.2E4 474.2695 1.8E4 484.2544 4.3E4 491.2644 1.3E5 492.2676 2.3E4 493.2436 2.5E4 497.1008 7.7E3 501.2462 1.3E4 502.2651 1.4E5 503.2689 1.9E4 509.2742 8.1E3 519.2591 7.5E5 520.2620 9.9E4 521.2391 5.6E4 537.2698 2.7E4 590.2968 9.7E4 591.3007 1.5E4 592.2771 1.1E4 598.9528 9.4E3 609.2343 7.8E3 654.9482 8.3E3 662.6367 7.8E3 663.3503 1.5E4 664.8142 9.0E3 673.3336 4.4E4 691.3456 1.2E4 END IONS BEGIN IONS FEATURE_ID=82 PEPMASS=696.4067 SCANS=82 RTINSECONDS=1137.287 CHARGE=1+ MSLEVEL=2 72.0813 1.2E3 86.0970 1.4E3 120.0810 4.7E3 201.1233 3.8E3 221.1282 1.6E3 231.1128 1.6E3 233.1641 4.3E3 247.1438 1.9E3 249.1228 3.2E3 261.1591 1.6E4 262.1627 1.1E3 272.1598 3.5E3 289.1860 3.6E3 303.1695 1.1E3 315.2068 1.1E3 318.1808 1.4E3 330.1804 1.1E4 332.1960 2.0E3 344.1957 5.3E3 348.1911 6.8E3 360.2273 2.6E3 362.2056 1.7E3 363.2050 2.0E3 401.2181 3.3E3 408.2274 1.2E4 415.2334 1.1E3 415.2697 1.3E3 416.2527 1.6E3 419.2274 4.5E3 432.2275 1.4E3 433.2806 1.2E3 436.2544 7.7E3 443.2643 1.7E4 444.2681 1.3E3 450.2386 1.8E3 451.2338 1.4E3 461.2749 4.1E3 462.2760 1.4E3 464.2530 1.6E3 477.2496 2.1E3 479.2638 1.1E3 481.2798 2.6E3 491.2643 1.8E4 492.2671 2.4E3 495.2597 3.7E3 507.2963 1.3E3 509.2750 1.4E4 510.2781 1.4E3 514.3011 6.2E3 532.3110 1.8E3 533.3118 1.1E3 536.3213 2.0E3 545.3101 3.6E3 548.2853 1.9E3 562.3015 2.3E3 562.3373 5.9E3 563.3212 3.6E3 564.3161 2.9E3 566.2964 1.5E3 580.3113 1.3E3 580.3478 1.2E4 581.3502 1.0E3 590.3325 3.2E4 591.3356 4.1E3 608.3427 2.4E4 609.3454 2.6E3 616.3483 2.1E3 633.3749 1.4E3 634.3572 2.2E3 651.3850 3.8E3 661.3691 1.3E4 662.3722 1.8E3 678.3951 1.6E3 679.3801 6.6E3 680.3841 1.3E3 696.4064 1.6E4 696.4673 1.6E3 696.5028 2.3E3 697.4101 2.4E3 END IONS BEGIN IONS FEATURE_ID=83 PEPMASS=697.3911 SCANS=83 RTINSECONDS=1173.725 CHARGE=1+ MSLEVEL=2 72.0813 2.3E3 86.0967 1.6E3 120.0808 1.3E4 173.1283 1.6E3 189.1232 4.0E3 201.1233 8.3E3 221.1283 3.1E3 231.1125 4.0E3 233.1645 9.2E3 247.1436 3.1E3 249.1228 7.9E3 261.1592 4.5E4 262.1628 2.1E3 285.1590 1.2E3 290.1701 6.6E3 303.1699 1.1E3 315.2067 1.9E3 330.1805 3.0E4 331.1839 1.4E3 344.1959 6.9E3 348.1908 1.2E4 360.2271 4.7E3 362.2069 2.4E3 363.2059 5.3E3 398.2426 1.0E3 408.2273 2.7E4 409.2311 1.9E3 415.2698 2.7E3 416.2541 2.5E3 417.2485 1.1E3 419.2277 4.9E3 432.2281 1.6E3 433.2795 2.2E3 437.2385 1.8E4 438.2420 1.8E3 443.2644 2.9E4 444.2690 2.3E3 450.2378 2.7E3 461.2744 7.6E3 462.2744 2.9E3 463.2705 2.0E3 464.2535 3.8E3 465.2498 1.6E3 467.2643 1.4E3 477.2482 4.2E3 481.2797 5.8E3 489.2693 1.1E3 491.2642 3.4E4 492.2684 3.8E3 495.2592 5.5E3 507.2957 1.5E3 509.2747 2.3E4 510.2779 2.6E3 536.3209 3.2E3 545.3113 4.8E3 550.3223 2.9E3 562.3372 8.7E3 563.3214 5.2E3 563.3412 1.0E3 564.3148 3.8E3 580.3480 1.9E4 581.3519 2.2E3 590.3322 4.9E4 591.3354 7.0E3 599.5007 2.1E3 608.3428 3.1E4 609.3455 4.2E3 661.3685 1.7E3 679.3801 5.4E3 696.3178 2.1E3 696.5014 1.5E3 697.3166 1.7E3 697.3903 2.5E4 697.4726 1.3E3 697.5059 1.0E3 697.5349 3.1E3 698.3943 2.7E3 698.4832 2.3E3 END IONS BEGIN IONS FEATURE_ID=84 PEPMASS=702.4178 SCANS=84 RTINSECONDS=1179.477 CHARGE=1+ MSLEVEL=2 72.0810 1.4E3 86.0966 1.6E4 86.0983 1.4E3 120.0800 1.1E3 171.1121 2.3E3 183.1125 2.1E3 190.0852 2.4E3 197.1282 5.0E3 201.1227 1.7E3 254.1490 2.2E3 267.1327 2.2E3 272.1603 2.6E3 275.1745 1.1E3 296.1964 1.1E4 298.1760 1.1E3 303.1696 2.7E4 304.1722 1.4E3 310.1747 1.4E3 337.1866 5.6E3 338.1698 9.9E3 344.1962 1.4E3 355.1964 3.0E4 356.2003 1.3E3 360.1904 2.0E3 367.2332 6.4E3 376.2229 1.7E3 383.1911 2.3E3 386.2064 1.6E5 387.2102 1.1E4 397.2430 2.5E3 404.2172 1.9E4 430.1953 2.0E3 440.2858 1.7E3 450.2711 1.8E3 457.2797 6.3E3 459.2592 1.1E3 468.2809 5.2E4 469.2839 5.4E3 475.2911 1.0E3 485.2749 2.7E5 486.2780 2.9E4 487.2544 1.0E4 502.3022 1.3E3 503.2849 2.1E4 504.2881 1.5E3 533.2749 2.3E3 556.3114 2.6E4 557.3156 2.9E3 558.2898 3.5E3 558.3285 1.1E3 586.3226 1.3E4 587.3250 1.1E3 612.3390 1.2E3 629.3646 7.5E3 639.3480 4.8E3 657.3591 3.5E4 658.3616 6.7E3 701.5000 1.6E3 702.4777 1.0E3 END IONS BEGIN IONS FEATURE_ID=85 PEPMASS=702.5366 SCANS=85 RTINSECONDS=1954.827 CHARGE=1+ MSLEVEL=2 59.0498 1.5E3 87.0445 5.9E3 89.0601 1.0E5 117.0912 3.1E3 130.0860 1.8E3 131.0703 4.5E3 133.0858 1.5E5 134.0894 2.3E3 175.0961 4.5E3 177.1120 6.5E4 178.1151 2.0E3 183.2105 1.3E3 184.0730 5.5E3 219.1225 1.9E3 221.1381 1.7E4 239.1485 3.5E3 265.1636 6.0E3 283.1743 6.7E3 309.1899 5.4E3 327.2002 3.6E3 353.2165 3.3E3 371.2263 3.3E3 397.2427 1.9E3 415.2526 6.1E3 416.2560 1.1E3 459.2788 1.7E4 460.2818 4.6E3 485.2943 1.1E3 503.3051 7.2E4 504.3082 5.1E3 561.4498 2.5E3 561.4871 1.4E3 685.5084 1.6E3 701.4991 4.0E3 702.4742 2.3E3 702.5041 2.2E3 702.5345 2.0E4 703.5387 3.1E3 END IONS BEGIN IONS FEATURE_ID=86 PEPMASS=705.3600 SCANS=86 RTINSECONDS=1183.401 CHARGE=1+ MSLEVEL=2 72.0813 1.4E3 120.0809 2.3E4 171.1126 1.5E3 176.1067 2.0E3 201.1235 3.2E3 204.1018 7.1E3 221.1283 3.8E3 231.1126 2.1E4 249.1231 2.3E3 254.1496 2.4E3 267.1338 1.0E3 302.1859 1.5E3 330.1804 1.0E4 332.1594 2.3E3 337.1866 1.5E3 338.1706 1.8E3 351.1697 1.9E4 352.1737 1.9E3 355.1967 8.0E3 373.2231 1.1E3 383.1923 2.6E3 387.2099 1.4E3 401.2174 7.2E3 406.2115 2.2E3 408.1909 6.3E3 413.2182 2.0E3 424.2225 4.0E3 431.2280 2.7E3 434.2068 1.2E5 435.2101 1.0E4 452.2171 1.4E4 453.2204 1.5E3 474.2710 1.6E3 484.2553 3.7E3 486.2782 1.9E3 487.2817 2.0E3 502.2651 1.2E4 503.2676 1.2E3 505.2797 6.0E3 507.2597 1.8E3 533.2748 4.1E4 534.2783 5.4E3 535.2542 3.4E3 551.2861 1.5E3 563.5021 2.5E3 564.5057 2.2E3 604.3118 5.5E3 687.3481 2.2E3 705.3594 1.4E3 706.4874 1.4E3 706.5206 1.6E3 END IONS BEGIN IONS FEATURE_ID=87 PEPMASS=705.3596 SCANS=87 RTINSECONDS=1199.137 CHARGE=1+ MSLEVEL=2 86.0968 3.0E3 120.0808 1.3E4 185.1284 1.4E3 187.1437 1.3E3 190.0856 1.3E3 215.1387 2.5E3 221.1280 2.3E3 231.1126 1.4E4 249.1229 1.4E3 268.1653 1.8E3 316.2020 1.5E3 332.1596 1.8E3 337.1537 1.3E4 338.1573 1.0E3 344.1959 5.5E3 351.2019 1.2E3 352.1856 1.3E3 360.1909 3.1E3 369.2121 4.8E3 392.1959 2.1E3 394.1750 5.5E3 410.2068 2.7E3 415.2330 3.4E3 420.1908 9.7E4 421.1942 7.5E3 434.2062 1.4E3 438.2016 1.2E4 439.2054 1.1E3 445.2429 1.2E3 498.2701 2.0E3 505.2799 6.5E3 506.2830 1.0E3 516.2800 6.3E3 521.2377 3.3E3 533.2747 2.9E4 534.2775 3.5E3 563.5017 2.7E3 564.5053 2.7E3 604.3114 4.3E3 687.3493 1.6E3 706.5224 2.3E3 END IONS BEGIN IONS FEATURE_ID=88 PEPMASS=709.3546 SCANS=88 RTINSECONDS=988.215 CHARGE=1+ MSLEVEL=2 91.5063 1.4E3 120.0808 5.9E3 201.1233 1.1E3 221.1282 2.3E3 231.1125 2.9E3 272.1596 3.0E3 330.1803 2.6E3 337.1539 9.6E3 392.1965 1.1E3 394.1753 5.5E3 410.2061 3.4E3 419.2276 3.4E3 420.1909 4.6E4 421.1941 3.4E3 438.2015 1.6E4 439.2049 1.3E3 491.2642 1.6E3 493.2431 2.4E3 509.2746 1.2E3 519.2592 3.4E4 520.2604 3.3E3 537.2697 9.1E3 590.2957 1.3E3 608.3059 2.7E3 END IONS BEGIN IONS FEATURE_ID=89 PEPMASS=709.3547 SCANS=89 RTINSECONDS=1002.825 CHARGE=1+ MSLEVEL=2 120.0809 1.5E4 162.0912 1.8E3 171.1126 4.7E3 173.0918 1.8E3 190.0861 2.1E3 191.1025 1.1E3 221.1287 1.5E3 231.1125 1.9E4 254.1497 1.2E3 272.1599 6.9E3 290.1704 3.9E3 302.1865 1.8E3 303.1699 1.3E3 330.1804 6.6E3 337.1537 9.8E3 355.1973 2.3E3 373.2078 4.5E3 373.2222 1.2E3 392.1961 1.1E3 394.1754 3.6E3 401.2029 1.4E3 401.2177 5.8E3 410.2065 1.9E3 419.2268 1.7E3 420.1910 1.0E5 421.1942 8.7E3 438.2016 1.2E4 439.2040 1.4E3 450.2379 1.0E3 491.2645 1.3E4 492.2827 1.9E3 493.2440 1.8E3 502.2649 5.3E3 519.2591 4.6E4 520.2601 2.3E3 520.2781 9.5E3 521.2791 1.2E3 533.2753 1.4E3 536.2857 1.3E3 537.2698 9.5E3 538.2721 1.1E3 539.2487 3.3E3 590.2959 1.3E4 591.2991 1.1E3 604.3120 1.6E3 608.3067 7.1E3 609.3098 1.0E3 610.2861 2.6E3 638.3177 2.0E3 663.3495 1.4E3 664.3312 1.0E3 681.3599 5.0E3 691.3433 1.1E4 692.3458 2.0E3 708.4102 1.5E3 709.3542 6.1E3 709.4124 1.0E3 710.3564 1.5E3 END IONS BEGIN IONS FEATURE_ID=90 PEPMASS=709.3544 SCANS=90 RTINSECONDS=1016.508 CHARGE=1+ MSLEVEL=2 120.0809 1.5E4 162.0912 1.8E3 171.1126 4.7E3 173.0918 1.8E3 190.0861 2.1E3 191.1025 1.1E3 221.1287 1.5E3 231.1125 1.9E4 254.1497 1.2E3 272.1599 6.9E3 290.1704 3.9E3 302.1865 1.8E3 303.1699 1.3E3 330.1804 6.6E3 337.1537 9.8E3 355.1973 2.3E3 373.2078 4.5E3 373.2222 1.2E3 392.1961 1.1E3 394.1754 3.6E3 401.2029 1.4E3 401.2177 5.8E3 410.2065 1.9E3 419.2268 1.7E3 420.1910 1.0E5 421.1942 8.7E3 438.2016 1.2E4 439.2040 1.4E3 450.2379 1.0E3 491.2645 1.3E4 492.2827 1.9E3 493.2440 1.8E3 502.2649 5.3E3 519.2591 4.6E4 520.2601 2.3E3 520.2781 9.5E3 521.2791 1.2E3 533.2753 1.4E3 536.2857 1.3E3 537.2698 9.5E3 538.2721 1.1E3 539.2487 3.3E3 590.2959 1.3E4 591.2991 1.1E3 604.3120 1.6E3 608.3067 7.1E3 609.3098 1.0E3 610.2861 2.6E3 638.3177 2.0E3 663.3495 1.4E3 664.3312 1.0E3 681.3599 5.0E3 691.3433 1.1E4 692.3458 2.0E3 708.4102 1.5E3 709.3542 6.1E3 709.4124 1.0E3 710.3564 1.5E3 END IONS BEGIN IONS FEATURE_ID=91 PEPMASS=713.3254 SCANS=91 RTINSECONDS=1110.97 CHARGE=1+ MSLEVEL=2 72.0813 1.2E3 481.2438 1.1E3 584.2831 1.2E3 612.2786 1.0E3 713.3257 2.3E5 714.3290 3.2E4 END IONS BEGIN IONS FEATURE_ID=92 PEPMASS=716.5519 SCANS=92 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 59.0497 2.2E3 87.0445 2.3E3 89.0601 3.2E4 117.0910 2.0E3 131.0703 1.7E3 133.0858 4.1E4 175.0965 2.2E3 175.1326 1.3E3 177.1120 2.3E4 178.1155 1.2E3 221.1381 4.4E3 265.1641 1.8E3 283.1744 2.7E3 309.1903 1.3E3 327.2001 1.6E3 353.2163 1.0E3 397.2424 1.1E3 415.2524 1.6E3 459.2790 8.6E3 460.2821 2.8E3 503.3051 2.5E4 504.3086 2.0E3 716.5507 8.2E3 END IONS BEGIN IONS FEATURE_ID=93 PEPMASS=716.5521 SCANS=93 RTINSECONDS=2146.153 CHARGE=1+ MSLEVEL=2 59.0498 1.0E3 87.0443 1.9E3 89.0601 2.5E4 91.5081 1.1E3 117.0911 1.5E3 131.0704 1.5E3 133.0858 3.6E4 175.0965 1.3E3 177.1119 2.1E4 178.1155 1.1E3 221.1379 5.2E3 265.1638 1.9E3 283.1744 1.4E3 309.1898 1.4E3 327.2007 1.4E3 371.2267 1.1E3 415.2530 1.5E3 459.2787 4.2E3 503.3051 2.3E4 504.3094 2.2E3 716.5507 7.4E3 717.5541 1.2E3 END IONS BEGIN IONS FEATURE_ID=94 PEPMASS=718.5381 SCANS=94 RTINSECONDS=1871.72 CHARGE=1+ MSLEVEL=2 52.2534 1.7E3 57.0706 3.4E3 57.2416 2.0E3 57.3706 1.6E3 58.1822 1.5E3 60.4643 1.4E3 62.1240 1.7E3 62.1608 1.9E3 62.1786 1.5E3 63.2313 1.6E3 63.7245 1.5E3 64.2051 2.7E3 65.9783 1.8E3 67.2886 1.7E3 69.9500 1.7E3 71.0861 6.5E3 71.1894 1.7E3 71.4015 1.7E3 71.9538 1.9E3 72.9882 1.6E3 78.3358 1.6E3 81.0703 5.7E3 83.0862 9.5E3 83.1690 1.8E3 85.1016 3.8E3 90.8027 1.8E3 93.9544 1.8E3 95.0861 1.1E4 97.1016 5.3E3 103.1682 2.2E3 105.0810 1.9E3 109.1015 6.6E3 111.1172 2.5E3 113.0962 2.1E3 121.1012 2.2E3 123.1169 4.0E3 125.1326 2.1E3 133.0865 1.9E3 133.9489 1.9E3 135.1169 2.1E3 137.8475 1.9E3 141.3964 2.2E3 144.5035 1.9E3 149.1329 2.5E3 151.1483 2.6E3 163.9683 2.2E3 168.9399 2.0E3 184.0727 1.0E4 198.7016 1.8E3 214.1371 2.2E3 218.9123 2.1E3 239.2366 2.4E4 240.3819 1.9E3 247.2419 4.5E3 265.2518 2.7E4 282.2790 7.9E3 308.2938 2.1E4 313.2728 1.7E4 321.2786 2.7E3 339.2884 1.9E4 347.0727 2.0E3 358.0354 2.4E3 362.4122 2.3E3 366.2968 2.0E3 408.8323 2.2E3 436.2816 5.2E3 454.2918 8.4E3 461.9642 2.4E3 462.2957 2.4E3 476.5235 2.0E3 511.1638 2.2E3 576.5046 1.2E4 577.5181 2.1E6 578.5214 2.8E5 596.8293 2.8E3 667.0544 2.2E3 END IONS BEGIN IONS FEATURE_ID=95 PEPMASS=719.3755 SCANS=95 RTINSECONDS=1245.652 CHARGE=1+ MSLEVEL=2 72.0811 2.0E3 120.0808 1.7E4 183.1130 1.1E3 184.0730 1.3E3 190.1218 1.7E3 201.1233 3.0E3 218.1174 1.2E4 221.1281 3.4E3 231.1126 1.6E4 232.1163 1.1E3 249.1230 2.0E3 254.1496 2.3E3 302.1857 1.5E3 330.1804 1.1E4 332.1595 2.0E3 337.1867 1.1E3 338.1699 1.5E3 355.1970 6.0E3 365.1853 1.4E4 366.1882 1.7E3 373.2227 1.2E3 383.1920 1.5E3 401.2174 5.6E3 413.2170 1.8E3 420.2267 1.9E3 422.2068 4.7E3 431.2278 2.4E3 438.2385 2.6E3 448.2223 7.9E4 449.2258 7.5E3 466.2325 9.6E3 467.2361 1.3E3 474.2704 1.4E3 484.2543 2.4E3 502.2648 1.1E4 519.2953 3.8E3 547.2905 3.4E4 548.2946 4.3E3 549.2696 2.2E3 565.3006 1.5E3 577.5179 6.7E4 578.5214 4.5E4 579.5246 2.8E3 618.3275 3.7E3 620.3429 1.1E3 701.3626 2.0E3 719.3760 1.5E3 END IONS BEGIN IONS FEATURE_ID=96 PEPMASS=721.3907 SCANS=96 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 51.0568 1.2E3 51.7671 1.2E3 52.3617 1.4E3 55.6022 1.8E3 56.0437 1.3E3 56.6741 1.4E3 56.9479 1.4E3 57.7185 1.3E3 63.2557 1.3E3 63.4871 1.3E3 63.5929 1.4E3 64.7069 1.5E3 65.8314 1.6E3 69.3544 1.8E3 72.0812 1.6E3 73.0775 1.5E3 79.4241 1.7E3 83.1890 1.5E3 84.2385 1.5E3 86.0968 1.2E5 86.4966 1.4E3 87.1003 2.0E3 87.3725 1.4E3 88.6151 1.4E3 97.4214 1.4E3 97.8913 1.5E3 99.3731 1.6E3 105.7107 1.5E3 108.2630 1.7E3 120.0809 6.0E4 138.8028 1.5E3 140.6964 1.6E3 159.1089 1.6E3 162.0913 1.8E3 162.1028 1.7E3 164.5202 1.5E3 165.4595 1.5E3 173.1285 2.0E3 177.2185 1.4E3 185.1284 1.7E3 190.0865 2.5E3 201.1233 9.8E3 203.1176 4.8E3 204.8863 1.6E3 221.1282 9.1E3 227.1386 2.2E3 229.3229 1.7E3 231.1124 8.2E3 233.1646 6.6E3 249.1225 3.1E4 254.1490 4.4E3 256.1281 2.4E3 261.1591 7.8E3 261.6654 2.0E3 272.1474 1.8E3 272.1598 2.5E4 275.1749 6.6E3 276.1695 2.5E3 280.1155 2.1E3 284.1959 2.4E3 302.1490 2.2E3 302.1855 4.8E3 303.1698 4.6E5 304.1642 3.2E3 304.1729 2.6E4 313.1341 1.6E3 316.6770 1.6E3 318.1807 3.4E3 320.1969 4.9E3 324.8838 2.0E3 330.1804 4.3E4 331.1829 3.4E3 332.1965 1.7E3 334.2118 3.1E3 344.1959 6.6E4 345.1996 4.0E3 346.1761 2.4E3 348.1907 2.8E4 349.1954 1.9E3 356.1956 2.9E3 362.2067 2.8E4 367.2334 1.1E4 373.2221 2.3E3 374.2068 5.5E3 375.1997 2.4E3 385.2431 8.8E3 389.2534 2.2E3 391.2333 1.4E4 401.2178 1.8E4 415.2328 1.3E4 415.2696 6.3E3 417.2484 2.2E3 419.2277 4.5E4 420.2308 2.7E3 422.2429 2.9E4 423.2465 2.5E3 430.2759 1.7E3 431.2626 2.2E3 433.2440 6.5E3 433.2809 3.2E3 443.2645 1.6E4 444.2680 3.0E3 450.2377 2.5E5 451.2410 2.7E4 461.2760 2.1E3 469.2786 2.4E3 471.2617 1.9E3 486.3060 4.2E3 487.2901 4.7E3 488.2861 2.2E3 493.4419 1.6E3 504.3174 1.2E4 505.2806 7.9E3 507.2589 2.6E4 508.2622 5.2E3 514.3016 2.7E4 515.3044 1.7E3 523.2903 1.3E4 532.3120 1.9E4 533.2747 2.7E5 534.2776 3.8E4 549.7018 2.0E3 551.2850 1.1E5 552.2880 1.5E4 578.3320 2.6E3 604.3477 2.6E4 605.3505 3.0E3 606.3257 1.0E4 632.3427 1.9E5 633.3457 2.7E4 634.5446 2.4E3 646.6722 2.0E3 650.3528 9.2E3 703.3793 1.2E4 704.3833 2.7E3 721.3917 7.5E3 722.3934 1.9E3 END IONS BEGIN IONS FEATURE_ID=97 PEPMASS=721.3901 SCANS=97 RTINSECONDS=1083.291 CHARGE=1+ MSLEVEL=2 86.0968 4.0E4 120.0808 1.8E4 190.0853 1.0E3 201.1234 3.5E3 221.1278 3.2E3 231.1126 3.2E3 233.1646 2.1E3 249.1228 7.2E3 254.1495 1.6E3 261.1590 2.8E3 272.1595 6.9E3 275.1746 1.5E3 302.1858 1.2E3 303.1697 1.5E5 304.1730 6.8E3 318.1809 1.2E3 320.1965 1.6E3 330.1801 1.3E4 332.1965 1.1E3 334.2119 1.3E3 344.1960 2.1E4 345.1991 1.1E3 348.1908 7.9E3 362.2065 1.0E4 367.2328 3.4E3 374.2064 1.1E3 385.2435 2.5E3 391.2333 3.4E3 401.2174 5.9E3 415.2325 3.7E3 415.2693 2.0E3 419.2278 1.4E4 420.2311 1.2E3 422.2432 7.3E3 433.2432 1.0E3 433.2805 1.3E3 443.2637 3.8E3 450.2375 7.2E4 451.2414 6.8E3 487.2897 2.3E3 504.3170 3.8E3 505.2795 2.4E3 507.2589 1.0E4 508.2634 1.1E3 514.3011 7.5E3 515.3032 1.2E3 523.2901 4.2E3 532.3114 6.5E3 533.2747 8.2E4 534.2782 9.8E3 551.2851 3.8E4 552.2888 4.5E3 579.5245 1.3E3 604.3480 8.7E3 605.3515 1.1E3 606.3278 2.9E3 632.3428 6.1E4 633.3455 8.8E3 650.3530 2.2E3 703.3798 4.0E3 721.3920 1.9E3 END IONS BEGIN IONS FEATURE_ID=98 PEPMASS=721.3907 SCANS=98 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 72.0811 1.5E3 86.0968 5.0E4 120.0775 1.7E3 120.0808 2.8E4 173.1284 1.2E3 183.1133 1.3E3 190.0853 1.4E3 201.1235 4.6E3 221.1284 3.9E3 231.1128 3.6E3 233.1648 2.4E3 249.1227 9.6E3 254.1494 1.4E3 261.1596 2.7E3 272.1601 1.0E4 275.1748 2.4E3 276.1694 1.4E3 302.1497 1.8E3 302.1863 2.7E3 303.1699 1.8E5 304.1654 1.1E3 304.1730 9.6E3 318.1814 1.5E3 320.1968 2.7E3 330.1804 1.6E4 344.1961 2.5E4 345.1987 1.6E3 348.1914 8.2E3 356.1953 1.3E3 362.2065 1.3E4 367.1641 1.3E3 367.2329 4.1E3 373.2232 1.2E3 374.2065 1.8E3 375.2022 1.5E3 385.2433 2.9E3 389.2541 1.8E3 391.2334 5.9E3 401.2174 8.0E3 402.2202 1.1E3 415.2336 4.1E3 415.2696 2.1E3 419.2278 2.1E4 422.2428 1.1E4 433.2433 1.5E3 433.2791 3.5E3 443.2640 5.6E3 450.2039 5.2E3 450.2379 9.8E4 451.2406 1.0E4 460.2899 1.0E3 461.2738 1.5E3 469.2803 1.6E3 486.3048 1.5E3 487.2907 3.1E3 504.3176 5.3E3 505.2798 3.2E3 507.2592 1.1E4 508.2630 2.3E3 514.3012 1.1E4 515.3042 1.1E3 523.2908 4.8E3 532.3120 8.6E3 533.2748 1.1E5 534.2786 1.3E4 551.2853 4.6E4 552.2891 5.8E3 579.5235 1.5E3 604.3482 9.5E3 605.3508 1.6E3 606.3279 2.4E3 632.3430 8.0E4 633.3461 1.3E4 650.3531 2.9E3 688.2625 1.0E3 703.3798 5.3E3 704.3819 1.4E3 721.3911 3.5E3 END IONS BEGIN IONS FEATURE_ID=99 PEPMASS=721.3907 SCANS=99 RTINSECONDS=1167.954 CHARGE=1+ MSLEVEL=2 54.1433 1.5E3 57.3957 1.2E3 57.8593 1.2E3 59.3815 1.4E3 59.8334 1.2E3 60.5480 1.3E3 63.5493 1.8E3 66.8408 1.3E3 68.5077 1.5E3 69.8135 1.4E3 72.0811 8.0E3 74.0078 1.4E3 74.0480 1.4E3 74.1439 1.6E3 76.5859 1.4E3 81.4354 1.3E3 86.0968 2.4E5 87.1001 2.6E3 91.5063 4.7E3 107.9183 1.5E3 112.8439 1.6E3 114.7821 1.6E3 120.0809 1.1E5 121.0844 2.3E3 133.9709 1.6E3 134.7927 1.6E3 150.0391 1.6E3 155.1177 3.1E3 156.9690 1.7E3 158.3767 2.0E3 160.2999 1.5E3 162.0904 2.2E3 173.1283 3.7E3 175.1463 1.6E3 183.1124 3.7E3 185.1286 2.0E3 190.0862 5.2E3 199.8839 1.6E3 200.2609 1.5E3 201.1237 1.7E4 203.1167 1.6E3 217.5830 1.6E3 217.9476 1.7E3 221.1281 1.5E4 226.1189 1.7E3 231.1124 1.4E4 233.1649 9.9E3 234.1681 1.8E3 239.1753 2.4E3 241.0432 1.8E3 249.1226 3.3E4 250.1259 1.8E3 252.6264 1.5E3 254.1491 6.4E3 254.3413 1.5E3 261.1591 1.4E4 272.1599 3.9E4 273.8356 1.5E3 275.1743 1.1E4 276.1698 2.2E3 284.1961 5.0E3 285.1598 3.5E3 287.1750 2.9E3 300.1544 1.7E3 302.1499 7.6E3 302.1857 1.0E4 303.1698 7.5E5 304.1731 3.3E4 316.2021 2.2E3 318.1809 7.1E3 320.1598 2.6E3 320.1964 6.8E3 330.1805 6.9E4 331.1843 3.1E3 332.1969 3.6E3 334.2122 6.5E3 344.1961 1.2E5 345.1998 6.1E3 347.2075 1.6E3 348.1909 3.2E4 356.1965 3.7E3 357.2487 2.7E3 358.1756 5.1E3 362.2065 5.1E4 363.2100 3.3E3 367.2334 1.9E4 373.2232 2.9E3 374.2067 7.5E3 375.2016 7.2E3 375.3703 1.6E3 385.2436 9.2E3 389.2543 4.9E3 391.2331 2.0E4 401.2177 3.3E4 415.2334 1.9E4 415.2693 1.0E4 417.2491 3.1E3 419.2280 7.7E4 420.2315 5.1E3 422.2429 4.1E4 423.2449 3.4E3 424.8880 1.7E3 433.2434 5.6E3 433.2796 9.0E3 443.2646 2.0E4 444.2672 2.5E3 447.0316 2.1E3 450.2380 3.8E5 451.2413 3.7E4 460.2896 2.6E3 461.2744 5.7E3 469.2802 4.5E3 486.3053 9.1E3 487.2898 9.6E3 488.2841 3.4E3 504.3168 1.5E4 505.2796 1.5E4 507.2596 5.2E4 508.2627 7.5E3 514.3014 4.5E4 515.3052 4.5E3 515.9426 1.6E3 523.2903 2.1E4 524.2946 2.7E3 532.3117 2.9E4 533.2748 4.3E5 534.2781 5.1E4 551.2852 1.9E5 552.2887 2.6E4 555.9824 1.8E3 578.3316 2.6E3 579.5239 1.9E3 604.3480 4.1E4 605.3517 4.4E3 606.3260 1.3E4 632.3431 3.1E5 633.3464 4.2E4 650.3530 1.1E4 656.1282 1.8E3 659.9827 1.7E3 703.3798 2.6E4 704.3828 5.1E3 721.3922 9.8E3 722.3933 1.7E3 END IONS BEGIN IONS FEATURE_ID=100 PEPMASS=724.4011 SCANS=100 RTINSECONDS=1041.817 CHARGE=1+ MSLEVEL=2 86.0968 6.1E3 120.0809 3.0E3 201.1233 2.2E3 231.1126 1.2E3 249.1236 1.3E3 275.1706 2.1E3 299.0614 4.0E3 303.1696 3.2E4 304.1732 1.6E3 330.1808 3.1E3 344.1960 1.1E4 362.2065 2.8E3 405.2121 1.9E3 415.0362 1.0E3 422.2397 5.4E3 429.0880 1.4E3 443.2642 3.8E3 450.2377 2.5E4 451.2409 2.8E3 461.2747 2.3E3 507.2591 4.7E3 523.2910 1.3E3 533.2748 4.1E4 534.2781 4.8E3 535.3230 7.7E3 551.2850 1.1E4 552.2890 1.2E3 606.3271 1.1E3 618.3271 1.3E3 632.3428 2.5E4 633.3462 4.1E3 706.3911 1.1E3 END IONS BEGIN IONS FEATURE_ID=101 PEPMASS=727.3658 SCANS=101 RTINSECONDS=939.774 CHARGE=1+ MSLEVEL=2 120.0808 3.9E3 221.1282 1.5E3 231.1123 2.5E3 272.1598 2.0E3 299.0608 2.9E3 330.1812 1.9E3 337.1534 6.9E3 373.2074 1.3E3 394.1751 5.7E3 410.2070 2.2E3 420.1909 3.7E4 421.1944 3.0E3 438.2016 1.2E4 493.2432 2.2E3 519.2590 2.5E4 520.2607 2.9E3 537.2693 5.0E3 538.2875 2.2E3 608.3063 1.3E3 709.3519 1.8E3 END IONS BEGIN IONS FEATURE_ID=102 PEPMASS=728.4339 SCANS=102 RTINSECONDS=1473.119 CHARGE=1+ MSLEVEL=2 72.0812 1.5E3 86.0969 4.0E3 120.0811 6.6E3 171.1125 2.4E3 183.1129 1.2E3 184.0731 4.8E3 199.1802 6.0E3 201.1238 2.4E3 213.1594 1.3E3 227.1751 2.6E4 228.1791 1.1E3 231.1119 5.1E3 249.1233 1.3E3 254.1494 3.2E3 272.1598 1.5E3 276.2679 3.3E3 284.1962 1.6E3 294.2783 8.0E3 296.1961 4.6E3 298.2125 2.3E3 310.2126 3.3E3 314.2062 1.1E3 326.2433 2.3E3 329.2219 2.9E3 330.1805 1.8E4 337.1861 1.9E3 338.1707 2.7E3 344.1961 1.0E4 348.1905 1.7E3 352.2595 1.3E3 355.1966 8.7E3 367.2333 6.5E3 369.2850 1.1E3 372.1909 2.0E3 373.2218 1.3E3 374.2430 1.2E4 381.2484 2.7E3 383.1923 2.5E3 397.2796 1.1E3 398.2425 1.4E3 401.2173 7.6E3 409.2802 1.4E4 415.2325 1.0E3 415.2696 2.0E3 423.2592 1.2E3 431.2279 3.6E3 443.2645 9.0E3 445.2805 1.2E3 447.2954 1.2E3 450.2705 1.9E3 451.2542 3.9E3 456.3313 3.9E3 457.2800 2.9E4 458.2837 2.9E3 461.2752 2.6E3 468.2812 1.7E3 469.2804 1.3E3 471.2599 1.9E3 474.2699 2.4E3 475.2908 4.4E3 480.3168 9.3E3 484.2540 2.9E3 486.3051 1.4E3 497.3112 1.1E3 502.2650 3.9E4 503.2683 5.2E3 511.3268 3.4E3 514.3015 8.8E3 528.3171 5.8E3 528.3528 5.5E3 530.3351 1.1E3 540.3183 1.9E3 541.3003 3.4E3 544.3093 1.0E3 546.3633 2.9E3 556.3480 2.1E4 557.3513 3.6E3 558.3274 2.0E3 563.3549 2.6E3 564.3392 2.0E3 570.3287 1.3E3 574.3588 7.8E3 581.3652 2.2E3 582.3626 4.3E3 597.3375 2.8E3 599.3904 5.7E3 611.3534 1.3E3 612.3381 2.4E3 615.3484 1.2E4 616.3528 1.5E3 627.3852 4.2E4 628.3887 5.7E3 629.3646 1.5E3 639.3845 4.2E3 640.3687 2.0E3 643.3461 1.4E3 657.3954 3.4E3 683.4125 3.4E3 700.4379 8.8E3 701.4410 1.1E3 709.5703 2.1E3 710.4223 7.5E3 710.5742 1.4E3 727.4788 1.3E3 727.5137 1.2E3 727.5806 2.4E3 728.4327 1.1E5 728.5272 2.2E3 728.5832 1.7E3 729.4356 1.7E4 END IONS BEGIN IONS FEATURE_ID=103 PEPMASS=730.2463 SCANS=103 RTINSECONDS=2347.969 CHARGE=1+ MSLEVEL=2 END IONS BEGIN IONS FEATURE_ID=104 PEPMASS=730.2457 SCANS=104 RTINSECONDS=2354.015 CHARGE=1+ MSLEVEL=2 END IONS BEGIN IONS FEATURE_ID=105 PEPMASS=738.4176 SCANS=105 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 72.0811 1.0E3 86.0951 1.3E3 86.0967 1.3E4 120.0809 5.5E3 201.1231 2.1E3 221.1283 1.1E3 231.1123 2.3E3 249.1234 3.0E3 261.1592 1.4E3 272.1598 1.6E3 290.1700 1.3E3 302.1854 1.0E3 303.1698 7.0E4 304.1731 2.5E3 330.1809 6.6E3 344.1961 2.8E4 348.1913 2.8E3 362.2070 5.2E3 415.2693 2.1E3 419.2284 4.4E3 422.2430 4.6E3 433.2792 1.4E3 436.2547 2.2E3 437.2389 3.2E3 443.2645 7.0E3 450.2379 5.3E4 451.2412 3.3E3 461.2745 4.5E3 505.2799 1.5E3 507.2592 9.8E3 523.2899 2.4E3 532.3116 1.7E3 533.2747 9.2E4 534.2787 5.7E3 549.3380 3.8E3 550.3226 4.2E3 551.2853 2.5E4 552.2882 1.7E3 604.3475 3.1E3 606.3270 2.0E3 632.3430 6.0E4 633.3463 4.6E3 650.3532 3.2E3 703.3822 1.1E3 721.3895 2.2E3 738.4778 1.4E3 END IONS BEGIN IONS FEATURE_ID=106 PEPMASS=739.4004 SCANS=106 RTINSECONDS=1101.169 CHARGE=1+ MSLEVEL=2 72.0811 2.4E3 86.0968 4.4E4 91.5082 2.1E3 120.0807 1.7E4 162.0898 1.5E3 173.1281 2.3E3 183.1126 1.2E3 189.1229 3.5E3 190.0855 1.2E3 201.1233 7.5E3 221.1279 2.5E3 231.1123 7.4E3 233.1646 3.4E3 249.1231 8.1E3 261.1593 5.9E3 272.1602 1.6E3 275.1746 2.4E3 290.1704 6.8E3 303.1698 2.0E5 304.1730 1.5E4 318.1804 2.5E3 320.1961 1.9E3 330.1802 1.8E4 331.1842 2.3E3 344.1961 6.7E4 345.1999 5.4E3 348.1906 7.0E3 362.2065 1.5E4 389.2539 2.6E3 415.2696 4.7E3 417.2491 2.9E3 419.2280 7.5E3 422.2427 1.0E4 423.2484 1.6E3 433.2798 5.8E3 436.2548 1.5E3 437.2380 1.0E4 443.2644 2.1E4 444.2682 3.0E3 450.2378 1.1E5 451.2414 1.7E4 461.2747 1.1E4 462.2790 1.8E3 505.2798 3.0E3 507.2590 2.1E4 508.2627 3.4E3 523.2904 5.9E3 524.2943 1.2E3 532.3118 5.0E3 533.2748 2.0E5 534.2779 3.3E4 549.3382 3.2E3 550.3222 1.9E4 550.3420 1.3E3 551.2851 4.8E4 551.3250 2.8E3 552.2880 1.1E4 578.3317 1.0E3 599.5009 1.0E3 604.3469 5.2E3 605.3511 1.8E3 606.3274 4.9E3 632.3429 1.0E5 633.3459 2.8E4 650.3511 3.4E3 721.3900 6.3E3 722.3940 1.2E3 END IONS BEGIN IONS FEATURE_ID=107 PEPMASS=739.4134 SCANS=107 RTINSECONDS=1636.31 CHARGE=1 MSLEVEL=2 59.0498 1.1E3 70.0657 1.0E4 84.0448 3.2E3 86.0968 1.1E4 101.0712 3.1E3 102.0552 1.2E4 115.0867 2.4E4 136.0756 8.0E3 141.1023 1.2E3 164.0083 4.9E3 169.0970 1.3E3 184.0730 5.4E3 198.1234 2.0E3 226.1184 1.7E4 227.1216 1.3E3 231.0974 2.4E3 249.1596 2.0E3 251.2365 1.0E3 263.2363 1.7E3 268.2628 7.8E3 297.1552 1.8E3 302.1340 1.4E3 319.2623 1.2E3 337.2732 1.4E3 370.2942 5.5E3 380.2780 1.8E3 389.1812 2.2E3 398.2895 1.0E4 399.2928 2.5E3 432.2232 1.2E3 460.2180 1.2E3 531.7665 2.2E3 532.2589 1.9E3 532.7585 1.1E3 540.7711 8.6E3 541.2722 5.6E3 577.5170 1.1E3 580.3353 1.1E3 588.8482 4.8E3 589.3499 4.0E3 599.5020 9.0E4 605.2909 1.6E3 620.3063 1.4E3 637.3334 1.3E3 658.3814 1.0E3 682.8702 1.0E3 683.8975 2.2E3 684.3961 2.3E3 697.4759 3.6E3 703.8916 1.2E3 704.3953 1.3E3 716.9025 1.1E3 721.4009 1.0E3 721.8981 2.4E3 725.4153 1.8E3 725.9164 2.5E3 730.4061 4.0E3 730.9083 4.7E3 731.4024 1.3E3 738.4774 4.0E3 738.5102 1.4E3 738.5486 3.5E3 739.4118 9.2E3 739.4826 4.2E3 739.5121 1.9E3 739.5490 3.4E3 739.9131 7.2E3 740.5198 6.9E3 END IONS BEGIN IONS FEATURE_ID=108 PEPMASS=739.9149 SCANS=108 RTINSECONDS=1650.244 CHARGE=1 MSLEVEL=2 70.0656 1.2E4 81.0702 1.5E3 84.0447 3.3E3 86.0968 1.0E4 95.0857 1.2E3 101.0712 3.5E3 102.0552 1.2E4 115.0868 2.2E4 116.0900 1.2E3 120.9659 1.1E3 123.1171 1.1E3 136.0758 5.6E3 164.0081 1.7E4 169.0970 1.2E3 184.0730 1.1E4 198.1235 1.6E3 226.1182 1.6E4 227.1221 1.6E3 231.0972 2.2E3 249.1598 2.7E3 263.2362 5.2E3 268.2629 7.9E3 269.2665 2.0E3 297.1558 1.7E3 299.0617 2.9E3 302.1340 1.5E3 306.2787 3.9E3 319.2630 2.1E3 337.2723 4.1E3 359.0276 1.1E3 370.2946 6.5E3 371.2984 1.1E3 380.2791 1.2E3 389.1808 3.2E3 398.2891 1.2E4 399.2924 2.9E3 460.2173 1.1E3 478.2915 1.1E3 531.7657 2.9E3 532.7605 1.1E3 540.7702 1.1E4 541.2722 5.5E3 541.7737 2.0E3 577.5178 3.0E3 580.3358 1.2E3 588.8502 3.7E3 589.3490 3.7E3 589.8514 1.4E3 599.5021 3.1E5 605.7932 1.1E3 620.3065 1.8E3 624.8688 1.4E3 683.3696 1.1E3 683.8949 1.6E3 684.3968 1.4E3 697.4765 1.2E4 703.8939 1.1E3 716.9021 1.0E3 721.4003 2.0E3 725.4169 1.4E3 725.9145 2.1E3 730.4069 4.5E3 730.9054 3.4E3 731.4049 2.7E3 739.4115 3.4E3 739.4785 3.1E3 739.5099 1.4E3 739.5505 1.8E3 739.9129 9.4E3 740.4145 2.6E3 740.4303 2.2E3 740.4897 4.3E3 740.5195 2.6E4 740.5644 3.9E3 END IONS BEGIN IONS FEATURE_ID=109 PEPMASS=740.5221 SCANS=109 RTINSECONDS=1838.456 CHARGE=1 MSLEVEL=2 67.0547 1.6E3 70.0656 5.3E3 81.0703 1.4E3 84.0446 2.0E3 86.0968 4.5E3 95.0858 1.8E3 101.0711 2.0E3 102.0552 6.0E3 109.1015 1.4E3 115.0867 1.2E4 120.9661 2.1E3 136.0753 3.6E3 164.0082 1.6E4 167.0548 3.0E3 184.0731 1.3E4 198.1236 1.7E3 226.1183 9.5E3 227.1216 1.7E3 231.0976 1.6E3 239.0942 2.6E3 249.1591 1.1E3 263.2365 5.8E3 268.2628 3.2E3 269.2664 1.1E3 299.0609 1.5E4 302.1343 1.4E3 306.2780 4.1E3 319.2628 2.3E3 337.2729 4.1E3 355.0692 3.3E3 359.0272 6.4E3 370.2946 2.6E3 380.2791 1.4E3 398.2892 4.5E3 399.2925 1.6E3 415.0364 4.3E3 429.0880 3.5E3 460.2812 1.4E3 478.2918 1.4E3 531.7654 1.1E3 540.7708 2.9E3 541.2720 3.7E3 541.7739 1.4E3 577.5173 2.7E3 588.8480 1.8E3 589.3506 2.2E3 589.8517 1.4E3 599.5021 3.0E5 600.5056 4.3E4 684.3977 1.3E3 697.4763 9.7E3 698.4794 1.7E3 725.4124 1.1E3 725.9147 1.1E3 730.9051 2.1E3 731.4076 1.6E3 739.4140 3.0E3 739.4835 2.0E3 739.5521 1.4E3 739.9138 4.6E3 740.4309 3.6E3 740.4899 3.2E3 740.5196 2.2E4 740.5633 5.4E3 741.5225 4.9E3 END IONS BEGIN IONS FEATURE_ID=110 PEPMASS=741.1957 SCANS=110 RTINSECONDS=883.706 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=111 PEPMASS=741.1951 SCANS=111 RTINSECONDS=884.983 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=112 PEPMASS=741.1949 SCANS=112 RTINSECONDS=889.679 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=113 PEPMASS=741.1951 SCANS=113 RTINSECONDS=893.013 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=114 PEPMASS=741.1954 SCANS=114 RTINSECONDS=894.293 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=115 PEPMASS=741.1957 SCANS=115 RTINSECONDS=904.962 CHARGE=1+ MSLEVEL=2 91.0577 2.2E3 167.0554 4.0E3 225.0428 1.0E3 239.0944 3.8E3 281.0503 1.6E3 299.0611 1.9E4 300.0612 1.3E3 355.0692 3.5E3 359.0275 6.8E3 415.0359 6.2E3 429.0880 3.6E3 503.1064 1.5E3 END IONS BEGIN IONS FEATURE_ID=116 PEPMASS=741.1952 SCANS=116 RTINSECONDS=967.529 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=117 PEPMASS=741.1954 SCANS=117 RTINSECONDS=970.204 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=118 PEPMASS=741.1955 SCANS=118 RTINSECONDS=973.363 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=119 PEPMASS=741.1947 SCANS=119 RTINSECONDS=975.606 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=120 PEPMASS=741.1942 SCANS=120 RTINSECONDS=979.19 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=121 PEPMASS=741.1947 SCANS=121 RTINSECONDS=996.603 CHARGE=1+ MSLEVEL=2 167.0553 3.6E3 225.0425 1.4E3 239.0948 3.4E3 281.0508 1.2E3 299.0612 1.9E4 300.0613 1.2E3 355.0696 3.3E3 359.0277 6.7E3 415.0360 5.3E3 420.1902 1.6E3 429.0877 3.2E3 503.1062 1.6E3 599.5015 1.1E3 END IONS BEGIN IONS FEATURE_ID=122 PEPMASS=741.1950 SCANS=122 RTINSECONDS=2187.775 CHARGE=1+ MSLEVEL=2 167.0552 3.2E3 239.0944 2.6E3 281.0505 1.1E3 299.0612 1.3E4 355.0694 2.8E3 359.0276 5.7E3 415.0359 3.9E3 429.0882 2.5E3 END IONS BEGIN IONS FEATURE_ID=123 PEPMASS=741.1935 SCANS=123 RTINSECONDS=2195.397 CHARGE=1+ MSLEVEL=2 167.0552 3.2E3 239.0944 2.6E3 281.0505 1.1E3 299.0612 1.3E4 355.0694 2.8E3 359.0276 5.7E3 415.0359 3.9E3 429.0882 2.5E3 END IONS BEGIN IONS FEATURE_ID=124 PEPMASS=741.1946 SCANS=124 RTINSECONDS=2210.468 CHARGE=1+ MSLEVEL=2 167.0552 3.2E3 239.0944 2.6E3 281.0505 1.1E3 299.0612 1.3E4 355.0694 2.8E3 359.0276 5.7E3 415.0359 3.9E3 429.0882 2.5E3 END IONS BEGIN IONS FEATURE_ID=125 PEPMASS=741.3804 SCANS=125 RTINSECONDS=1002.825 CHARGE=1+ MSLEVEL=2 91.0577 1.5E3 91.5062 1.1E3 120.0809 3.9E3 167.0553 3.8E3 187.1073 2.8E3 205.1182 1.2E3 221.1283 1.3E3 225.0431 1.6E3 231.1127 2.7E3 239.0946 3.4E3 272.1598 1.3E3 281.0498 1.8E3 286.1751 2.2E3 299.0610 1.8E4 300.0607 1.8E3 330.1803 1.9E3 337.1538 7.7E3 355.0689 3.3E3 359.0276 7.4E3 360.0274 1.2E3 387.2228 1.1E3 394.1753 6.0E3 410.2060 2.1E3 415.0357 5.4E3 419.2278 1.6E3 420.1907 4.6E4 421.1943 3.4E3 429.0876 3.0E3 438.2013 1.4E4 439.2045 1.3E3 491.2641 1.4E3 493.2435 2.0E3 503.1063 1.3E3 519.2591 2.8E4 520.2621 3.6E3 534.2910 1.7E3 537.2697 6.2E3 552.3004 2.1E3 608.3063 1.5E3 723.3679 3.9E3 END IONS BEGIN IONS FEATURE_ID=126 PEPMASS=741.5256 SCANS=126 RTINSECONDS=1832.387 CHARGE=1 MSLEVEL=2 70.0658 1.2E3 81.0704 2.0E3 86.0968 1.4E3 91.0577 2.0E3 95.0859 1.5E3 109.1014 1.6E3 115.0867 2.4E3 120.9663 2.3E3 123.1167 1.1E3 149.0450 1.1E3 164.0083 1.8E4 167.0555 4.7E3 184.0732 1.2E4 225.0430 1.7E3 226.1188 1.5E3 239.0946 4.7E3 263.2363 4.8E3 281.0499 2.5E3 299.0611 2.6E4 300.0604 2.9E3 306.2787 3.3E3 319.2623 2.4E3 337.2726 3.3E3 338.2766 1.3E3 355.0686 4.2E3 359.0277 1.1E4 360.0277 1.4E3 415.0357 7.0E3 416.0367 1.5E3 429.0877 3.8E3 430.0882 1.2E3 478.2920 1.5E3 503.1059 1.7E3 577.5178 3.0E3 578.5211 2.2E3 599.5023 1.6E5 600.5056 1.4E5 601.5156 1.3E4 697.4768 6.1E3 698.4797 5.7E3 740.4332 1.3E3 740.4896 1.8E3 740.5193 1.1E4 740.5638 2.1E3 741.4355 1.6E3 741.4932 2.0E3 741.5233 1.6E4 741.5676 1.9E3 742.5300 1.1E3 END IONS BEGIN IONS FEATURE_ID=127 PEPMASS=748.4024 SCANS=127 RTINSECONDS=1471.205 CHARGE=1+ MSLEVEL=2 86.0967 1.5E3 120.0808 7.2E3 184.0731 3.3E3 231.1127 3.6E3 233.1644 7.1E3 240.1333 1.1E3 258.1444 1.5E3 261.1592 2.2E4 262.1628 1.1E3 288.1339 1.2E3 318.1808 1.2E3 330.1803 1.2E4 341.1815 3.0E3 344.1962 6.3E3 363.2061 1.2E3 369.1759 2.3E3 387.2013 4.0E3 401.2175 1.8E3 408.2274 6.2E3 415.2695 1.3E3 443.2280 1.6E3 443.2643 7.6E3 460.2540 1.8E3 470.2387 3.2E3 471.2231 1.6E3 471.2598 1.3E3 477.2491 1.0E3 488.2495 2.8E4 489.2526 2.6E3 491.2645 1.8E4 492.2677 1.9E3 500.2858 5.9E3 509.2756 2.1E3 534.2710 1.1E3 545.3104 1.9E3 548.2859 2.6E3 562.3380 3.1E3 575.2861 1.5E3 580.3478 1.2E3 583.3226 2.5E3 590.3321 9.9E3 591.3370 1.2E3 601.3330 9.9E3 602.3349 2.6E3 607.4907 1.1E3 608.3427 2.5E3 619.3595 2.6E3 635.3178 1.1E3 647.3539 1.3E4 648.3563 1.6E3 650.5334 1.7E3 703.3805 1.1E3 720.4066 3.2E3 730.3901 5.3E3 747.5576 1.6E3 748.4013 6.4E4 748.5731 2.0E3 749.4050 1.2E4 END IONS BEGIN IONS FEATURE_ID=128 PEPMASS=752.4332 SCANS=128 RTINSECONDS=1110.97 CHARGE=1+ MSLEVEL=2 86.0968 2.3E4 120.0806 7.7E3 201.1228 1.9E3 204.1017 1.0E3 215.1387 1.8E3 221.1279 1.7E3 231.1127 2.9E3 233.1644 1.7E3 249.1227 4.5E3 261.1590 3.9E3 272.1599 1.6E3 286.1751 2.0E3 303.1698 5.0E4 304.1730 2.6E3 317.1854 4.7E4 318.1799 1.9E3 318.1891 2.2E3 330.1800 4.7E3 334.2112 1.7E3 344.1962 5.0E4 345.1995 3.0E3 348.1905 2.3E3 362.2064 1.4E4 389.2537 1.0E3 405.2491 1.4E3 415.2332 2.6E3 415.2687 1.1E3 419.2279 4.0E3 422.2433 4.0E3 433.2433 5.7E3 433.2798 1.6E3 436.2565 5.2E3 443.2645 7.5E3 447.2951 1.6E3 450.2379 3.8E4 450.2695 3.0E3 451.2414 3.6E3 457.2800 5.4E3 461.2744 4.2E3 464.2534 3.4E4 465.2564 2.8E3 475.2895 2.8E3 504.3169 1.6E3 505.2810 1.4E3 507.2590 8.5E3 514.3013 2.8E3 519.2945 1.2E3 521.2748 6.8E3 523.2903 3.1E3 528.3167 1.9E3 532.3119 3.6E3 533.2748 7.2E4 534.2783 8.3E3 546.3272 3.1E3 547.2902 5.9E4 548.2937 7.0E3 549.3383 7.9E3 551.2852 2.5E4 552.2897 2.5E3 563.3533 6.9E3 565.3009 1.8E4 566.3044 2.2E3 618.3636 4.5E3 620.3433 3.4E3 646.3585 9.2E4 647.3618 1.2E4 664.3687 5.8E3 693.3201 5.3E3 717.3943 2.4E3 734.4211 1.6E3 735.4052 2.7E3 751.3818 1.3E3 END IONS BEGIN IONS FEATURE_ID=129 PEPMASS=753.4174 SCANS=129 RTINSECONDS=1195.29 CHARGE=1+ MSLEVEL=2 72.0810 2.2E3 86.0968 3.4E4 91.5081 2.2E3 120.0807 1.4E4 173.1284 2.0E3 183.1124 1.4E3 184.0728 1.2E3 190.0858 1.6E3 201.1231 9.2E3 203.1393 5.7E3 221.1278 1.3E3 231.1124 6.8E3 233.1646 3.3E3 249.1230 5.4E3 261.1589 4.7E3 275.1740 1.2E3 276.1700 1.2E3 302.1858 1.9E3 303.1697 1.6E5 304.1729 8.7E3 304.1848 4.2E3 318.1805 1.4E3 320.1961 1.7E3 330.1803 1.7E4 330.1921 1.1E3 334.2116 1.6E3 344.1961 7.1E4 345.1992 4.4E3 348.1909 4.1E3 362.2063 1.0E4 389.2543 3.1E3 415.2691 4.2E3 417.2480 1.3E3 422.2427 1.0E4 423.2469 1.0E3 433.2433 3.2E3 433.2792 5.1E3 438.2058 2.0E3 443.2642 1.6E4 444.2677 1.6E3 450.2378 9.4E4 451.2403 8.5E3 451.2553 5.7E3 461.2745 8.0E3 505.2802 2.4E3 507.2592 1.7E4 508.2620 2.0E3 515.2648 1.4E3 523.2899 5.5E3 533.2746 1.8E5 534.2780 2.5E4 546.3260 2.2E3 551.2850 4.6E4 552.2892 5.6E3 564.3380 7.8E3 565.3405 1.0E3 604.3477 4.7E3 606.3261 2.4E3 632.3426 8.0E4 633.3456 1.2E4 650.3522 2.2E3 735.4050 4.3E3 753.5954 1.1E3 END IONS BEGIN IONS FEATURE_ID=130 PEPMASS=753.4180 SCANS=130 RTINSECONDS=1208.77 CHARGE=1+ MSLEVEL=2 72.0810 2.2E3 86.0968 3.4E4 91.5081 2.2E3 120.0807 1.4E4 173.1284 2.0E3 183.1124 1.4E3 184.0728 1.2E3 190.0858 1.6E3 201.1231 9.2E3 203.1393 5.7E3 221.1278 1.3E3 231.1124 6.8E3 233.1646 3.3E3 249.1230 5.4E3 261.1589 4.7E3 275.1740 1.2E3 276.1700 1.2E3 302.1858 1.9E3 303.1697 1.6E5 304.1729 8.7E3 304.1848 4.2E3 318.1805 1.4E3 320.1961 1.7E3 330.1803 1.7E4 330.1921 1.1E3 334.2116 1.6E3 344.1961 7.1E4 345.1992 4.4E3 348.1909 4.1E3 362.2063 1.0E4 389.2543 3.1E3 415.2691 4.2E3 417.2480 1.3E3 422.2427 1.0E4 423.2469 1.0E3 433.2433 3.2E3 433.2792 5.1E3 438.2058 2.0E3 443.2642 1.6E4 444.2677 1.6E3 450.2378 9.4E4 451.2403 8.5E3 451.2553 5.7E3 461.2745 8.0E3 505.2802 2.4E3 507.2592 1.7E4 508.2620 2.0E3 515.2648 1.4E3 523.2899 5.5E3 533.2746 1.8E5 534.2780 2.5E4 546.3260 2.2E3 551.2850 4.6E4 552.2892 5.6E3 564.3380 7.8E3 565.3405 1.0E3 604.3477 4.7E3 606.3261 2.4E3 632.3426 8.0E4 633.3456 1.2E4 650.3522 2.2E3 735.4050 4.3E3 753.5954 1.1E3 END IONS BEGIN IONS FEATURE_ID=131 PEPMASS=760.5790 SCANS=131 RTINSECONDS=2066.361 CHARGE=1 MSLEVEL=2 59.0497 6.0E3 87.0444 2.8E3 89.0601 3.3E4 115.0755 1.3E3 117.0912 5.8E3 131.0695 1.7E3 133.0858 4.8E4 134.0892 1.3E3 175.0964 2.2E3 175.1327 2.7E3 177.1118 2.3E4 221.1380 5.9E3 233.1745 1.4E3 239.1485 1.1E3 265.1640 1.6E3 283.1749 2.5E3 299.0604 2.5E3 309.1896 2.3E3 327.2008 1.3E3 353.2157 1.1E3 355.0695 1.2E3 459.2789 1.7E3 503.3049 5.0E3 504.3089 1.5E3 547.3312 1.9E4 548.3346 2.3E3 760.5762 8.5E3 END IONS BEGIN IONS FEATURE_ID=132 PEPMASS=761.3866 SCANS=132 RTINSECONDS=1435.883 CHARGE=1+ MSLEVEL=2 72.0813 3.9E3 120.0809 1.3E4 183.1125 1.5E3 184.0728 2.9E3 201.1234 1.6E3 231.1127 5.2E3 254.1500 1.8E3 267.1338 1.1E3 299.0614 2.2E3 300.0616 1.1E3 337.1862 1.2E3 338.1705 1.5E3 355.0693 1.2E3 355.1971 3.9E3 407.1959 1.4E4 408.1989 1.0E3 462.2372 1.5E3 464.2176 4.4E3 480.2486 2.4E3 490.2329 1.1E5 491.2362 8.8E3 505.1029 1.0E3 507.2600 1.3E3 508.2435 1.0E4 509.2472 1.1E3 561.3057 9.1E3 562.3101 1.2E3 589.3010 3.4E4 590.3040 3.4E3 591.2800 5.1E3 660.3377 3.0E3 733.3895 1.9E3 743.3744 1.2E3 760.4014 1.9E3 761.4023 1.1E3 762.4176 3.2E3 762.5486 1.2E3 END IONS BEGIN IONS FEATURE_ID=133 PEPMASS=762.3850 SCANS=133 RTINSECONDS=1169.864 CHARGE=1+ MSLEVEL=2 233.1319 1.7E3 261.1263 6.6E3 299.0608 1.5E3 330.1806 1.7E3 344.1962 1.9E3 408.1943 4.0E3 443.2306 1.1E3 491.2316 3.8E3 491.2640 1.1E3 502.2651 3.8E3 526.3011 1.4E3 562.3044 1.1E3 590.2990 3.6E3 597.3380 2.1E3 615.3473 1.5E3 661.3365 4.7E3 698.3857 7.8E3 734.3888 1.2E3 744.3723 1.2E3 761.4046 3.8E3 762.3828 2.0E4 762.5514 1.8E3 763.3880 2.6E3 END IONS BEGIN IONS FEATURE_ID=134 PEPMASS=762.4177 SCANS=134 RTINSECONDS=1169.864 CHARGE=1+ MSLEVEL=2 53.4460 2.1E3 54.4301 1.7E3 55.0263 1.9E3 58.8507 1.9E3 60.3468 1.8E3 61.0820 1.9E3 64.7506 1.9E3 68.6355 2.2E3 72.0812 6.7E3 72.2271 2.1E3 72.8236 1.8E3 74.2497 1.9E3 80.9840 1.9E3 86.0967 1.9E4 90.5028 2.1E3 108.3345 2.3E3 120.0809 3.6E4 128.8457 2.1E3 147.6769 2.4E3 155.1173 2.5E3 158.1018 2.4E3 171.1126 3.3E3 173.1273 2.6E3 183.1127 4.1E3 199.8717 2.1E3 201.1234 1.7E4 203.1179 7.3E3 209.1287 2.8E3 221.1284 6.9E3 231.1123 3.5E4 233.1318 3.2E3 233.1647 1.9E4 247.1439 3.0E3 249.1229 1.7E4 249.5163 2.2E3 254.1490 3.4E4 261.1262 7.8E3 261.1591 6.2E4 261.4282 2.3E3 261.4367 2.3E3 262.1634 3.3E3 266.1486 3.6E3 267.0167 2.5E3 272.1596 1.2E4 285.1598 4.0E3 300.7505 2.3E3 302.1494 5.6E4 302.1844 2.3E3 303.1538 2.8E3 303.1696 3.1E3 304.9585 2.1E3 320.1600 3.2E3 327.1701 1.1E4 330.1805 4.2E4 331.1837 2.6E3 332.1602 2.8E3 332.1964 2.2E3 337.1861 1.8E4 344.1960 1.7E5 345.1992 9.7E3 348.1911 1.5E4 355.1968 4.1E4 356.1955 1.4E4 358.1763 2.6E3 360.2283 3.6E3 362.2065 1.3E4 363.2058 9.7E3 367.2333 6.3E3 370.2115 7.1E3 372.1911 3.0E3 373.2232 8.2E3 374.2070 6.1E3 378.1796 5.7E3 385.1860 4.8E3 387.2385 3.0E3 391.2337 4.9E3 392.9810 2.3E3 398.2437 3.5E3 401.2174 3.4E4 403.1967 6.9E3 408.1942 7.1E3 408.2276 3.8E4 413.2177 1.1E4 415.2330 4.3E4 415.2692 3.8E3 416.2376 3.4E3 416.2540 4.6E3 417.2485 4.5E3 419.2286 2.5E4 427.2332 9.2E3 430.2676 2.6E3 431.2274 1.3E4 432.2267 4.6E3 433.2799 3.0E3 439.2341 2.9E3 443.2645 5.9E4 444.2682 4.6E3 446.2431 7.0E3 450.2358 4.2E3 450.2704 4.7E3 457.2438 1.8E4 458.2401 2.6E3 461.2180 4.1E3 461.2745 1.5E4 462.2755 3.0E3 463.2692 8.5E3 464.2530 1.0E4 465.2486 4.6E3 467.2628 2.5E3 469.2798 1.9E4 474.2371 3.1E3 474.2712 3.4E3 477.2482 9.3E3 481.2799 6.4E3 484.2546 5.4E4 485.2577 6.0E3 487.2906 5.2E3 491.2291 8.3E3 491.2644 1.3E5 492.2690 1.5E4 495.2592 8.8E3 498.2702 1.4E4 502.2651 4.0E4 503.2685 2.9E3 504.3157 5.4E3 507.2957 5.3E3 509.2746 2.9E4 510.2780 2.9E3 514.3011 3.0E4 517.2784 9.5E3 526.3012 1.4E4 532.3121 6.5E3 534.3052 3.8E3 536.3226 4.6E3 537.4786 2.9E3 544.3122 3.3E3 545.3110 1.7E4 546.3123 2.3E3 548.2850 1.2E4 557.2756 6.1E3 560.2865 3.3E3 562.3016 2.7E4 562.3373 1.2E4 563.3213 8.4E3 564.3166 5.2E3 569.3414 3.5E3 570.3277 1.3E4 571.3229 4.1E3 574.3013 8.6E4 575.3040 9.4E3 580.3495 1.7E4 581.3498 4.3E3 590.2987 5.1E3 590.3318 5.3E4 591.3347 9.1E3 592.3115 3.6E4 593.3141 5.8E3 597.3384 4.8E4 598.3406 6.7E3 600.3167 5.5E3 604.3125 1.0E4 605.3111 2.3E3 608.3432 3.3E4 609.3441 3.2E3 615.3494 2.2E4 616.3484 1.6E4 618.3264 6.5E3 619.3214 3.4E3 619.3590 2.9E3 625.3318 2.6E3 631.3219 1.9E4 634.3575 6.3E3 635.3569 2.9E3 645.3387 4.4E4 645.3726 3.8E3 646.3408 7.0E3 647.3538 9.7E3 648.1239 2.8E3 648.1708 2.9E3 649.3324 1.6E4 656.3430 6.4E3 661.3356 5.1E3 661.3680 1.2E4 662.3691 2.7E3 663.3475 1.2E4 663.3852 2.9E3 673.3693 9.5E4 674.3750 1.0E4 689.3981 2.6E3 691.3798 1.9E4 692.3800 3.2E3 698.3854 1.0E4 699.3848 8.8E3 700.3832 2.8E3 716.4121 1.0E4 717.3953 1.6E4 718.3924 4.2E3 726.3957 8.2E3 727.3962 3.0E3 734.4224 1.9E4 744.4062 9.3E4 745.4102 1.5E4 762.3826 2.5E4 762.4161 7.8E4 763.3857 5.2E3 763.4200 1.3E4 787.2200 2.6E3 END IONS BEGIN IONS FEATURE_ID=135 PEPMASS=762.4185 SCANS=135 RTINSECONDS=1697.275 CHARGE=1+ MSLEVEL=2 59.0499 1.4E3 72.0813 1.4E3 86.0967 1.5E3 89.0600 2.0E3 91.5082 1.5E3 117.0914 1.5E3 120.0810 8.9E3 133.0858 1.5E3 164.0081 2.3E3 171.1124 2.2E3 173.1286 1.2E3 177.1120 1.2E3 184.0732 2.5E3 201.1227 1.5E3 219.1132 1.1E3 231.1130 5.0E3 233.1647 8.5E3 247.1435 1.4E3 254.1496 2.8E3 261.1593 3.1E4 262.1624 1.9E3 272.1602 2.1E3 282.1441 1.4E3 302.1493 3.1E3 302.1859 1.1E3 310.1756 1.5E3 315.2066 1.6E3 318.1805 1.7E3 330.1804 2.1E4 331.1849 1.1E3 332.1604 1.1E3 332.1964 3.3E3 337.1867 2.5E3 338.1707 2.5E3 344.1961 1.2E4 348.1914 2.1E3 355.1968 7.9E3 360.2275 1.5E3 363.2060 3.5E3 373.2238 1.3E3 378.1809 1.4E3 383.1918 2.5E3 386.2437 1.2E3 401.2175 1.3E4 408.2274 1.1E4 413.2176 1.1E3 415.2330 3.3E3 415.2699 1.3E3 419.2284 2.0E3 431.2283 3.3E3 431.2659 1.1E3 432.2271 1.8E3 434.2432 1.0E3 443.2643 1.7E4 444.2683 1.5E3 457.2444 2.0E3 461.2758 1.5E3 463.2691 1.2E3 471.2600 1.2E3 474.2702 1.5E3 477.2486 2.1E3 479.2654 1.4E3 484.2540 5.1E3 485.2390 2.7E3 491.2641 3.1E4 492.2684 2.4E3 502.2650 2.8E4 503.2676 4.7E3 509.2737 4.2E3 514.3013 1.2E4 515.3038 1.1E3 517.2803 2.7E3 533.3094 1.1E3 545.3109 4.0E3 548.2852 3.6E3 562.3018 4.7E3 562.3376 7.1E3 564.3204 1.3E3 574.3013 2.5E3 575.2852 2.8E3 577.5192 1.9E3 580.3473 3.7E3 590.3323 2.2E4 591.3362 3.3E3 592.3125 1.2E3 597.3388 2.2E3 598.3218 2.5E3 599.5056 1.1E3 608.3436 6.4E3 615.3485 8.8E3 616.3476 5.5E3 621.4706 1.9E3 621.4860 1.0E3 630.3630 1.1E3 633.3743 6.4E3 634.3781 1.5E3 645.3377 2.5E3 646.3219 2.2E3 649.3336 1.2E3 650.4620 1.2E3 661.3691 3.8E4 662.3728 4.4E3 663.3503 1.4E3 673.3694 4.7E3 674.3533 2.3E3 684.4581 1.4E3 691.3801 2.9E3 717.3962 2.3E3 719.4609 1.8E3 734.4224 7.3E3 735.4262 1.2E3 744.4056 8.2E3 762.4169 6.9E4 762.4987 6.4E3 762.5501 1.0E4 763.4199 1.3E4 763.5823 1.4E3 END IONS BEGIN IONS FEATURE_ID=136 PEPMASS=770.4446 SCANS=136 RTINSECONDS=1273.49 CHARGE=1+ MSLEVEL=2 54.1239 4.2E3 54.1695 4.1E3 56.2978 4.9E3 56.3558 4.2E3 56.8803 4.7E3 59.7896 4.1E3 72.0812 6.8E3 73.1306 4.7E3 73.9118 4.8E3 74.3504 4.3E3 76.8247 5.2E3 81.0740 5.5E3 81.5594 4.2E3 83.5218 4.0E3 83.8479 5.6E3 85.1998 4.4E3 86.0951 1.1E4 86.0968 1.6E5 87.5637 4.4E3 89.6257 4.4E3 91.6774 4.7E3 94.9800 4.4E3 96.9487 5.4E3 111.7427 4.9E3 115.9768 4.8E3 120.0807 5.7E4 137.2201 4.6E3 145.6166 5.5E3 152.8648 5.2E3 155.0864 4.7E3 155.8632 4.2E3 156.0540 4.8E3 159.0232 4.6E3 167.1704 5.0E3 171.1124 1.0E4 183.1130 8.4E3 184.9727 5.1E3 187.6977 4.7E3 200.2309 5.8E3 201.1229 1.5E4 201.3826 5.6E3 231.1124 2.1E4 233.1644 7.1E3 249.1231 8.2E3 254.1493 1.9E4 254.4128 5.6E3 261.1593 1.8E4 267.1333 5.9E3 269.1855 4.9E5 270.1891 1.9E4 272.1603 8.7E3 282.1448 9.0E3 288.4653 5.1E3 295.6654 5.1E3 296.1960 1.6E4 302.1860 6.5E3 303.1698 1.8E5 304.1734 5.3E3 310.1768 6.1E3 310.2115 4.1E4 327.2019 9.8E3 330.1805 7.6E4 332.1609 1.1E4 337.1871 1.6E4 338.1705 2.5E4 339.2380 5.7E3 344.1961 2.1E5 345.1994 1.4E4 355.1971 7.6E4 362.2066 1.5E4 367.2334 1.9E4 377.9550 5.0E3 383.1919 1.1E4 385.1858 8.6E3 388.2585 4.7E4 394.0317 4.8E3 401.2179 4.6E4 403.1985 5.1E3 409.2805 7.5E3 413.2174 9.1E3 415.2343 6.7E3 415.2705 1.2E4 416.2537 3.0E5 417.2570 2.3E4 427.2333 5.6E3 431.2275 1.8E4 433.2805 5.6E3 442.7058 5.4E3 443.2647 7.1E4 445.2440 1.8E4 450.2716 1.3E4 451.2532 1.1E4 468.2813 3.7E4 473.2755 3.5E4 474.2704 1.0E4 480.3170 1.6E4 484.2548 1.8E4 486.3066 1.1E4 489.3052 9.3E3 499.2906 7.0E5 500.2945 6.0E4 502.2650 1.3E5 503.2685 9.3E3 514.3012 7.0E4 515.3047 9.7E3 517.3011 1.0E5 526.3012 1.4E4 544.3118 1.2E4 549.7767 7.1E3 552.4188 5.8E3 557.5466 5.6E3 570.3635 3.6E4 572.3423 9.8E3 581.3643 5.7E4 584.0865 5.7E3 586.9797 5.6E3 587.3533 2.0E4 597.3372 2.8E4 598.3585 4.7E5 599.3618 5.3E4 600.3382 4.6E4 615.3486 2.6E5 616.3513 2.0E4 647.4536 5.8E3 669.3956 6.3E4 670.3961 6.4E3 671.3751 9.1E3 703.4501 6.3E3 731.5115 5.4E3 742.4477 1.9E4 743.1373 5.9E3 752.4318 2.1E4 754.8842 6.0E3 770.4427 2.2E4 END IONS BEGIN IONS FEATURE_ID=137 PEPMASS=770.4798 SCANS=137 RTINSECONDS=1117.049 CHARGE=1+ MSLEVEL=2 184.0730 1.3E3 199.1437 2.6E3 296.1965 1.3E3 298.2119 1.9E3 342.1811 1.8E3 376.2227 2.7E3 395.2649 3.1E3 473.2750 1.4E5 474.2783 1.1E4 572.3428 1.1E4 573.3456 1.2E3 639.3860 1.7E3 770.4425 1.7E3 770.4792 6.7E3 771.4818 1.4E3 END IONS BEGIN IONS FEATURE_ID=138 PEPMASS=776.3975 SCANS=138 RTINSECONDS=1273.49 CHARGE=1+ MSLEVEL=2 56.4915 9.0E3 57.9504 8.2E3 57.9588 8.4E3 58.1666 8.5E3 58.6223 8.0E3 58.7642 8.7E3 59.4305 9.7E3 59.8369 8.6E3 60.8101 8.9E3 61.8634 9.1E3 65.2513 8.5E3 65.6757 9.2E3 70.2227 8.8E3 70.7925 1.2E4 71.1685 8.5E3 73.1974 1.1E4 75.0764 9.3E3 77.5292 9.9E3 86.0968 5.3E5 92.6398 1.1E4 103.0744 9.6E3 120.0808 2.2E5 125.4120 9.3E3 134.3424 1.1E4 142.4491 1.1E4 143.0817 2.2E4 155.0816 1.4E4 156.9482 9.8E3 158.0434 1.0E4 160.3352 1.1E4 162.0909 1.5E4 162.9285 1.1E4 173.0918 3.6E4 200.2011 9.5E3 221.1277 1.8E4 226.1182 3.3E4 231.1125 6.0E4 233.1645 4.2E4 244.1286 2.8E4 245.2048 1.0E4 246.8805 1.1E4 249.1224 3.5E4 254.1127 1.2E4 261.1593 3.8E4 274.1537 1.4E4 275.1749 3.9E4 276.1331 1.2E4 281.1606 1.7E4 282.1444 4.0E4 287.3929 1.1E4 299.1692 1.1E4 302.1489 2.1E5 303.1697 1.8E6 304.1730 9.0E4 309.1550 2.2E4 310.1385 5.2E4 327.1657 1.7E5 328.1680 2.4E4 332.1594 3.6E4 339.2018 2.9E4 344.1960 4.8E5 345.1993 3.0E4 346.8895 1.2E4 355.1605 5.0E4 362.2063 5.5E4 373.1862 1.4E5 374.1895 1.2E4 385.1870 2.0E4 387.2375 1.9E4 389.2157 1.2E4 403.1974 7.7E4 409.9716 1.2E4 415.2330 1.4E5 422.2426 1.1E5 427.2331 1.6E4 433.2427 1.6E4 440.2497 1.2E4 445.2439 3.4E4 446.2387 4.1E4 450.2378 6.0E5 451.2396 6.4E4 452.6631 1.4E4 456.2228 6.0E4 458.2744 2.2E4 474.2337 5.2E5 475.2366 3.7E4 485.3121 1.2E4 486.2703 2.0E5 498.2698 4.1E4 502.2317 1.2E4 507.2599 6.1E4 508.1512 1.2E4 511.3111 1.0E4 515.2632 1.4E4 516.2806 5.7E4 521.2579 1.1E4 529.6747 1.0E4 533.2747 8.1E5 534.2786 9.9E4 543.2894 1.3E4 551.2847 1.2E5 559.3224 4.0E4 569.3074 6.6E4 576.3162 5.7E4 586.3022 1.1E4 587.3176 7.3E5 588.3212 6.7E4 604.3115 6.1E5 605.3137 8.2E4 622.3205 1.3E4 631.5358 1.1E4 634.3218 7.5E4 647.3513 2.0E4 648.1756 9.8E3 659.0291 1.4E4 675.3485 8.7E4 676.3499 2.2E4 705.3575 3.4E4 742.1682 1.1E4 747.8832 1.0E4 758.3849 5.5E4 759.3813 1.1E4 776.3928 3.0E4 END IONS BEGIN IONS FEATURE_ID=139 PEPMASS=780.4282 SCANS=139 RTINSECONDS=1167.954 CHARGE=1+ MSLEVEL=2 56.2405 1.1E3 72.0813 1.5E3 76.3709 1.1E3 91.5079 2.2E3 95.8065 1.1E3 97.9776 1.1E3 114.9507 1.2E3 120.0809 7.3E3 123.3816 1.1E3 166.0660 1.0E3 171.1128 1.7E3 173.0919 1.6E3 173.1280 1.1E3 184.0729 1.5E3 198.2290 1.0E3 199.9747 1.1E3 201.1234 7.0E3 215.2078 1.1E3 221.1285 2.8E3 227.8066 1.1E3 231.1129 3.3E3 233.1644 7.1E3 247.1441 3.0E3 249.1225 4.7E3 254.1500 1.7E3 258.9028 1.1E3 259.7654 1.0E3 261.1592 2.3E4 272.1595 1.3E4 303.1697 1.6E3 315.2063 1.8E3 318.1806 3.3E3 318.3257 1.3E3 330.1803 1.5E4 331.1837 1.0E3 332.1959 4.6E3 344.1962 9.5E3 348.1903 1.0E4 355.1977 1.8E3 360.2276 3.7E3 361.0463 1.1E3 362.2069 2.6E3 363.2061 3.1E3 373.2076 4.6E3 374.2074 2.7E3 378.1818 1.5E3 380.2325 1.0E3 386.2434 1.6E3 391.2329 1.5E3 401.2175 1.0E4 408.2274 1.6E4 409.2318 1.3E3 410.5817 1.0E3 415.2333 4.1E3 415.2700 1.3E3 416.2539 2.1E3 419.2279 1.4E4 431.2648 3.3E3 432.2281 1.6E3 443.2646 2.5E4 444.2683 2.8E3 450.2388 1.4E3 451.2328 1.3E3 461.2740 8.4E3 462.2750 3.0E3 463.2685 1.7E3 464.2534 3.0E3 465.2493 1.5E3 477.2497 3.2E3 479.2648 3.8E3 480.2673 1.0E3 481.2811 4.3E3 487.2910 2.0E3 491.2642 2.9E4 492.2675 3.2E3 495.2599 3.4E3 502.2651 2.4E3 504.3185 1.7E3 507.2957 1.7E3 509.2749 1.7E4 514.3016 1.8E4 515.3040 1.3E3 516.6125 1.2E3 517.2817 1.2E3 520.2752 1.7E4 521.2773 2.8E3 532.3111 4.8E3 533.3118 3.4E3 535.2906 2.6E3 536.3223 4.1E3 545.3104 6.2E3 548.2856 4.5E3 559.0302 1.2E3 562.3008 7.1E3 562.3370 1.1E4 562.3613 1.3E3 563.3225 6.0E3 564.3159 5.6E3 566.2963 2.9E3 578.3320 2.5E3 580.3126 5.6E3 580.3478 1.8E4 581.3535 2.9E3 590.3322 5.5E4 591.3353 6.1E3 597.3396 1.3E3 607.3605 1.7E3 608.3430 3.2E4 609.3448 5.8E3 616.3474 7.2E3 617.3499 1.1E3 633.3762 2.2E3 634.3580 5.5E3 635.3546 2.2E3 647.4036 1.4E3 649.3998 1.2E3 651.3845 1.0E4 652.3888 1.7E3 653.3486 1.2E3 661.3692 3.4E4 662.3727 5.0E3 679.3798 2.4E4 680.3850 2.8E3 680.4914 1.1E3 712.0157 1.1E3 744.4056 3.2E3 762.4175 5.9E3 780.4275 3.9E4 780.5589 3.0E3 780.9896 1.0E3 781.4312 6.4E3 785.6578 1.1E3 END IONS BEGIN IONS FEATURE_ID=140 PEPMASS=780.4290 SCANS=140 RTINSECONDS=1226.399 CHARGE=1+ MSLEVEL=2 86.0969 2.0E3 120.0809 5.4E3 171.1127 1.3E3 183.1123 1.3E3 184.0729 4.1E3 231.1125 5.7E3 233.1649 8.1E3 247.1442 1.1E3 261.1593 2.3E4 272.1600 3.1E3 290.1705 2.3E3 302.1857 1.1E3 330.1806 1.3E4 332.1974 1.0E3 344.1961 7.1E3 355.1980 1.1E3 360.2271 1.7E3 362.2068 1.6E3 372.1913 1.3E3 373.2080 1.6E3 401.2031 2.0E3 401.2178 4.8E3 408.2276 5.6E3 443.2645 1.1E4 462.2766 1.1E3 471.2590 1.2E3 477.2497 2.3E3 484.2553 1.5E3 490.2340 1.8E3 491.2357 1.7E3 491.2644 2.9E4 492.2664 1.5E3 502.2651 7.1E3 509.2755 1.5E3 514.3015 4.4E3 520.2756 1.9E4 521.2787 1.9E3 545.3121 2.4E3 548.2876 1.6E3 562.3010 1.8E3 562.3377 4.6E3 563.3426 1.2E3 589.3014 1.2E3 590.3326 1.6E4 591.3372 2.7E3 597.3398 1.2E3 608.3428 3.6E3 615.3484 2.6E3 616.3517 1.2E3 633.3595 2.8E3 633.3760 2.2E3 634.3601 1.1E3 661.3704 2.1E4 662.3730 3.0E3 663.3495 1.2E3 679.3807 3.2E3 709.3912 1.6E3 734.4218 1.2E3 744.4064 3.7E3 752.4340 7.2E3 753.4361 1.4E3 762.4174 1.6E4 763.4207 2.8E3 780.4277 9.0E4 780.5595 6.4E3 781.4312 1.5E4 END IONS BEGIN IONS FEATURE_ID=141 PEPMASS=780.4281 SCANS=141 RTINSECONDS=1347.076 CHARGE=1+ MSLEVEL=2 86.0969 1.7E3 120.0808 4.7E3 171.1127 1.3E3 184.0731 8.7E3 231.1125 3.5E3 233.1646 7.7E3 247.1440 1.4E3 261.1594 1.8E4 272.1599 3.6E3 290.1708 1.6E3 330.1808 1.3E4 332.1964 2.2E3 344.1963 6.4E3 348.1914 1.4E3 355.1975 1.3E3 360.2274 1.4E3 363.2050 1.9E3 372.1916 1.0E3 373.2070 2.2E3 401.2029 1.6E3 401.2181 6.0E3 408.2277 6.0E3 415.2335 1.4E3 419.2274 2.3E3 421.6906 3.3E3 422.1921 1.5E3 443.2644 1.4E4 444.2682 1.4E3 461.2758 1.9E3 462.2749 1.0E3 477.2493 1.5E3 479.2655 1.2E3 484.2556 1.1E3 491.2647 1.7E4 492.2661 2.1E3 492.2829 1.1E3 502.2650 4.9E3 509.2753 2.2E3 514.3016 8.2E3 520.2756 1.8E4 521.2794 1.4E3 545.3120 2.6E3 548.2872 1.1E3 562.3033 2.0E3 562.3380 4.2E3 563.3214 1.1E3 580.3137 1.2E3 580.3470 2.1E3 590.3327 1.7E4 591.3354 2.6E3 597.3376 1.2E3 608.3425 3.5E3 615.3491 2.9E3 616.3488 1.3E3 633.3594 4.6E3 633.3787 1.5E3 634.3596 1.0E3 651.3863 1.3E3 661.3706 2.2E4 662.3738 3.2E3 663.3495 1.2E3 679.3807 2.6E3 681.3604 1.1E3 709.3917 1.2E3 734.4227 1.1E3 744.4070 4.4E3 752.4343 4.9E3 762.4172 9.8E3 763.4219 1.4E3 780.4280 1.4E5 780.5594 7.3E3 781.4310 2.5E4 781.5656 1.4E3 END IONS BEGIN IONS FEATURE_ID=142 PEPMASS=781.4593 SCANS=142 RTINSECONDS=982.825 CHARGE=1+ MSLEVEL=2 91.5081 1.4E3 486.2695 1.0E3 491.2286 1.6E3 583.3224 6.0E4 584.3259 7.3E3 653.4018 1.6E3 717.3988 1.4E3 780.3938 4.0E3 781.3972 4.5E3 781.4586 2.3E3 END IONS BEGIN IONS FEATURE_ID=143 PEPMASS=784.4612 SCANS=143 RTINSECONDS=1358.655 CHARGE=1+ MSLEVEL=2 86.0949 1.0E3 86.0968 1.9E4 120.0809 4.7E3 184.0732 2.0E3 231.1129 1.6E3 254.1495 1.0E3 269.1855 6.3E3 283.2011 3.8E4 284.2048 1.3E3 296.1967 1.9E3 303.1695 7.9E3 310.2119 1.0E4 317.1855 1.8E4 330.1805 5.7E3 332.1594 1.1E3 337.1870 1.4E3 338.1706 1.9E3 344.1963 2.4E4 345.2001 1.7E3 355.1971 6.2E3 362.2068 2.0E3 367.2338 1.7E3 369.2130 1.0E3 383.1926 1.4E3 401.2175 3.5E3 402.2745 3.5E3 409.2809 1.6E3 415.2334 1.7E3 416.2534 7.0E3 430.2693 2.3E4 431.2286 1.4E3 431.2726 1.5E3 443.2645 5.5E3 445.2444 1.8E3 450.2689 1.2E3 468.2809 3.1E3 473.2755 4.3E3 480.3171 2.1E3 482.2967 1.4E3 484.2556 1.5E3 487.2913 2.1E3 499.2908 1.8E4 500.2949 2.2E3 502.2652 1.1E4 513.3065 5.3E4 514.3005 7.1E3 516.2810 2.7E3 517.3011 2.7E3 526.3019 1.5E3 528.3174 1.3E3 531.3168 6.3E3 581.3650 8.6E3 582.3669 1.1E3 584.3788 4.2E3 587.3547 1.7E3 595.3816 1.8E3 597.3398 2.5E3 600.3380 1.5E3 612.3744 4.5E4 613.3775 6.3E3 614.3533 2.9E3 615.3491 2.3E4 616.3503 3.0E3 629.3647 3.3E3 683.4114 5.0E3 685.3916 1.3E3 748.5714 1.4E3 756.4646 1.4E3 766.4485 2.8E3 783.5780 2.4E3 784.4595 1.8E3 784.5917 1.8E4 785.5966 2.6E3 END IONS BEGIN IONS FEATURE_ID=144 PEPMASS=784.4604 SCANS=144 RTINSECONDS=1370.209 CHARGE=1+ MSLEVEL=2 86.0949 1.0E3 86.0968 1.9E4 120.0809 4.7E3 184.0732 2.0E3 231.1129 1.6E3 254.1495 1.0E3 269.1855 6.3E3 283.2011 3.8E4 284.2048 1.3E3 296.1967 1.9E3 303.1695 7.9E3 310.2119 1.0E4 317.1855 1.8E4 330.1805 5.7E3 332.1594 1.1E3 337.1870 1.4E3 338.1706 1.9E3 344.1963 2.4E4 345.2001 1.7E3 355.1971 6.2E3 362.2068 2.0E3 367.2338 1.7E3 369.2130 1.0E3 383.1926 1.4E3 401.2175 3.5E3 402.2745 3.5E3 409.2809 1.6E3 415.2334 1.7E3 416.2534 7.0E3 430.2693 2.3E4 431.2286 1.4E3 431.2726 1.5E3 443.2645 5.5E3 445.2444 1.8E3 450.2689 1.2E3 468.2809 3.1E3 473.2755 4.3E3 480.3171 2.1E3 482.2967 1.4E3 484.2556 1.5E3 487.2913 2.1E3 499.2908 1.8E4 500.2949 2.2E3 502.2652 1.1E4 513.3065 5.3E4 514.3005 7.1E3 516.2810 2.7E3 517.3011 2.7E3 526.3019 1.5E3 528.3174 1.3E3 531.3168 6.3E3 581.3650 8.6E3 582.3669 1.1E3 584.3788 4.2E3 587.3547 1.7E3 595.3816 1.8E3 597.3398 2.5E3 600.3380 1.5E3 612.3744 4.5E4 613.3775 6.3E3 614.3533 2.9E3 615.3491 2.3E4 616.3503 3.0E3 629.3647 3.3E3 683.4114 5.0E3 685.3916 1.3E3 748.5714 1.4E3 756.4646 1.4E3 766.4485 2.8E3 783.5780 2.4E3 784.4595 1.8E3 784.5917 1.8E4 785.5966 2.6E3 END IONS BEGIN IONS FEATURE_ID=145 PEPMASS=788.4009 SCANS=145 RTINSECONDS=1230.231 CHARGE=1 MSLEVEL=2 72.0812 1.9E3 86.0968 5.9E4 104.0531 1.4E4 120.0805 2.3E3 162.0907 1.7E3 171.1125 3.1E3 183.1125 1.0E3 190.0858 2.3E3 201.1231 4.0E3 215.0846 6.3E3 217.1366 2.6E3 227.1389 1.7E3 228.1342 1.2E3 233.0954 1.6E3 245.1317 3.9E3 254.1489 3.1E3 267.1334 2.9E3 272.1595 2.6E3 275.1749 2.5E3 282.1442 1.2E3 286.1574 2.1E3 287.1416 9.1E3 303.1699 2.3E5 304.1731 1.2E4 309.1919 2.2E3 310.1754 4.1E3 314.1524 2.4E4 315.1563 1.2E3 316.1318 2.8E3 327.2019 2.5E3 328.1683 6.8E4 329.1714 2.9E3 332.1628 2.0E3 337.1861 4.8E3 338.1701 7.8E3 344.1957 4.5E3 346.1792 3.3E3 355.1967 2.4E4 357.1952 1.2E3 358.2120 3.0E3 367.2328 4.2E3 383.1915 5.5E3 385.1898 1.3E4 387.1690 1.6E3 397.1897 1.2E3 399.2050 1.9E3 399.2412 5.1E3 401.2183 1.1E3 406.2152 6.6E3 411.2048 1.1E3 415.2000 5.9E3 417.2526 1.3E3 427.2365 1.6E4 428.2375 1.1E3 429.2154 4.4E3 434.2101 7.1E4 435.2137 4.9E3 445.2469 1.8E3 450.2702 1.8E3 458.2419 3.8E3 468.2265 5.4E3 468.2803 2.0E3 470.2775 3.0E3 486.2370 4.7E4 487.2421 3.6E3 489.2516 1.6E3 491.2311 6.3E3 498.2734 2.0E4 499.2757 1.4E3 500.2525 2.3E3 502.2642 1.1E3 507.2633 1.8E3 510.2730 3.3E3 514.3013 1.6E3 517.2469 2.1E5 518.2500 1.9E4 528.2835 2.3E3 535.2571 2.2E4 536.2598 2.3E3 554.2992 1.6E3 571.3253 4.5E3 581.3105 7.9E3 588.3199 1.1E4 590.2990 1.6E3 599.3207 7.7E4 600.3235 6.6E3 615.3488 4.4E3 616.3149 1.2E5 617.3178 1.5E4 618.2940 1.1E4 619.2973 1.3E3 634.3260 2.2E3 687.3516 1.6E4 688.3554 2.2E3 689.3313 1.9E3 760.4031 3.8E3 770.3880 6.0E3 771.3926 1.1E3 788.3992 3.9E3 788.5654 3.4E3 END IONS BEGIN IONS FEATURE_ID=146 PEPMASS=788.4344 SCANS=146 RTINSECONDS=1455.743 CHARGE=1+ MSLEVEL=2 112.1123 1.2E3 146.0965 1.1E3 184.0734 2.2E3 259.1801 1.0E4 287.1747 2.8E4 288.1785 1.4E3 330.1805 3.4E3 355.1971 1.5E3 401.2177 1.7E3 431.2285 1.3E3 434.2430 1.4E4 435.2469 1.4E3 491.2647 2.5E3 502.2648 8.8E3 517.2800 3.5E4 518.2833 3.1E3 535.2902 6.0E3 588.3527 2.7E3 590.3321 2.1E3 616.3481 2.1E4 617.3512 2.8E3 618.3287 3.2E3 634.3584 1.9E3 661.3694 3.0E3 687.3851 4.4E3 717.3949 1.4E3 760.4379 1.5E3 787.4202 1.3E3 788.4329 2.5E4 788.5646 7.5E3 789.4368 3.7E3 789.5990 1.2E3 END IONS BEGIN IONS FEATURE_ID=147 PEPMASS=788.4342 SCANS=147 RTINSECONDS=1484.716 CHARGE=1+ MSLEVEL=2 184.0727 1.9E3 259.1799 8.1E3 287.1748 2.2E4 330.1804 2.9E3 355.1972 1.6E3 401.2178 2.6E3 434.2431 1.2E4 491.2638 2.4E3 502.2646 8.2E3 517.2486 1.1E3 517.2798 3.0E4 518.2823 3.2E3 535.2903 5.5E3 588.3535 3.4E3 590.3342 2.0E3 616.3481 2.2E4 617.3526 3.2E3 618.3272 2.0E3 634.3603 2.5E3 661.3696 2.7E3 687.3852 3.7E3 729.4841 1.0E3 760.4380 1.3E3 788.4330 3.3E4 788.5648 1.0E4 789.4354 6.2E3 789.5671 1.4E3 789.5978 1.5E3 END IONS BEGIN IONS FEATURE_ID=148 PEPMASS=788.4543 SCANS=148 RTINSECONDS=1067.18 CHARGE=1+ MSLEVEL=2 86.0969 1.2E3 269.1853 5.3E3 303.1703 2.3E3 344.1960 1.8E3 416.2536 9.2E3 419.2280 2.0E3 473.2744 1.4E3 499.2906 1.2E4 500.2935 1.1E3 517.3008 6.8E3 532.3117 1.1E3 598.3588 1.4E4 599.3597 1.7E3 616.3701 1.5E3 633.3599 1.9E3 END IONS BEGIN IONS FEATURE_ID=149 PEPMASS=788.4541 SCANS=149 RTINSECONDS=1115.079 CHARGE=1+ MSLEVEL=2 55.2617 1.5E3 56.3781 1.6E3 59.2104 1.4E3 61.4821 1.5E3 63.2386 1.4E3 65.2608 1.4E3 67.6088 1.5E3 70.9277 1.6E3 71.6225 1.6E3 72.0812 3.7E3 73.4565 1.4E3 77.2995 1.5E3 79.4888 1.5E3 83.3423 1.5E3 85.7418 1.7E3 85.8480 1.7E3 86.0968 8.8E4 88.2651 1.7E3 91.5082 2.8E3 92.4117 1.7E3 95.8284 1.6E3 104.5121 1.7E3 112.4646 1.7E3 120.0655 1.8E3 120.0808 3.0E4 120.2809 1.8E3 137.9789 1.7E3 138.4821 1.8E3 145.3908 1.7E3 146.7890 1.8E3 153.4919 1.7E3 170.4549 1.5E3 171.1120 1.2E4 173.0918 4.8E3 174.4694 1.6E3 181.9258 1.6E3 183.1119 2.0E3 183.5835 1.7E3 190.0427 1.6E3 191.1020 4.9E3 196.7961 1.9E3 201.6578 1.5E3 201.8568 2.0E3 212.7180 1.8E3 227.1395 1.8E3 231.1125 1.7E4 233.1648 5.3E3 240.3898 1.6E3 246.1437 1.8E3 248.1391 2.1E3 254.1492 5.4E3 261.1593 5.8E3 269.1854 2.3E5 270.1888 7.6E3 272.1596 2.6E4 281.4655 1.7E3 282.1445 1.9E3 290.1703 2.0E4 296.1960 4.4E3 302.1862 6.3E3 303.1693 3.3E4 309.1916 2.6E3 310.2117 1.5E4 320.1963 1.8E3 327.2022 5.0E3 328.1859 4.9E3 330.1803 3.7E4 330.3633 1.8E3 337.1873 4.8E3 340.8472 1.8E3 344.1960 1.3E5 345.2001 6.9E3 345.2126 8.9E3 350.1403 1.7E3 350.1703 2.1E3 355.1966 1.5E4 362.2063 5.5E3 367.2333 2.3E3 373.2075 3.3E4 382.3894 1.7E3 388.2585 1.5E4 401.2024 1.2E4 401.2176 1.5E4 409.2804 2.1E3 415.2703 9.1E3 416.2533 9.9E4 417.2572 5.9E3 419.2283 8.3E3 443.2642 3.0E4 450.2708 2.7E3 450.5665 1.7E3 458.2755 2.8E3 461.2762 2.8E3 463.2541 3.0E3 468.2816 3.8E3 473.2755 8.8E3 480.3170 2.9E3 481.2808 2.3E3 484.2545 1.7E3 486.2917 3.2E3 489.3062 3.9E3 492.2805 7.5E3 498.3271 2.1E3 499.2906 3.0E5 500.2944 2.4E4 502.2649 2.7E4 514.3017 1.8E4 516.3174 3.2E3 517.3010 3.7E4 518.3051 3.4E3 520.2755 7.8E4 521.2790 5.4E3 532.3113 8.3E3 534.2914 5.0E3 548.2701 6.4E3 562.3228 2.0E3 570.3291 2.7E3 570.3633 2.2E4 571.3657 1.8E3 572.3433 4.0E3 581.3656 2.8E3 587.3535 2.2E3 588.3364 2.6E3 597.3384 4.4E3 598.3585 1.7E5 599.3621 1.8E4 605.3646 1.6E4 606.3705 2.0E3 615.3483 2.3E4 615.3835 2.3E3 616.3713 1.1E4 617.3729 1.9E3 618.3478 1.8E4 633.3593 1.7E5 634.3624 1.7E4 669.3950 3.8E4 670.3992 4.7E3 687.4059 1.5E4 689.3859 1.6E4 689.4186 3.0E3 717.4160 1.4E4 718.4183 3.4E3 742.4487 2.2E3 743.4315 3.6E3 760.4594 2.5E4 761.4619 6.3E3 770.4428 5.2E4 771.4460 6.4E3 788.4536 6.4E4 789.4550 1.1E4 819.2254 2.1E3 END IONS BEGIN IONS FEATURE_ID=150 PEPMASS=790.4131 SCANS=150 RTINSECONDS=1234.053 CHARGE=1+ MSLEVEL=2 56.0040 2.1E3 56.0627 2.5E3 56.2630 2.4E3 56.4734 1.9E3 57.1905 2.7E3 57.4835 2.1E3 59.6799 2.0E3 60.1062 2.0E3 60.2647 1.9E3 63.1679 2.4E3 65.3027 2.9E3 65.3930 2.1E3 67.7946 2.6E3 69.5135 2.3E3 72.0813 6.4E3 73.3914 2.5E3 73.3987 2.5E3 75.5199 2.6E3 75.7175 2.3E3 84.0675 2.4E3 84.3705 2.6E3 85.3243 2.8E3 86.0968 1.4E5 91.5080 9.7E3 96.1303 2.8E3 99.8226 2.9E3 104.2839 2.9E3 111.1188 3.2E3 112.5169 3.6E3 120.0807 4.9E4 146.1668 2.8E3 152.0413 2.5E3 152.4493 2.3E3 152.7425 2.3E3 156.1178 2.3E3 157.0968 4.5E3 159.6088 2.4E3 162.0911 3.0E3 171.3901 2.5E3 173.1285 2.7E3 182.8404 2.5E3 183.1121 2.6E3 190.0859 3.5E3 190.3062 2.7E3 201.1234 3.2E3 217.1386 2.9E3 231.1125 1.5E4 233.1646 1.6E4 234.5215 2.9E3 240.1338 7.0E3 249.1226 7.5E3 251.0468 2.5E3 254.1490 3.4E3 258.1442 7.1E3 261.1596 1.3E4 275.1750 6.1E3 289.1538 3.2E3 295.1755 4.9E3 296.1598 1.1E4 302.1860 6.3E3 303.1698 4.1E5 304.1734 2.1E4 313.1859 7.6E3 323.1706 8.7E3 324.1550 1.1E4 324.8188 2.8E3 330.0819 2.7E3 330.1807 4.7E4 332.1612 3.9E3 341.1811 3.0E4 344.1962 1.5E5 345.1998 8.0E3 353.2170 5.2E3 359.2084 3.2E3 362.2071 8.3E3 366.6247 2.8E3 369.1766 1.1E4 387.2020 2.1E4 389.1815 4.8E3 397.4578 2.8E3 401.2174 7.6E3 415.2699 1.3E4 422.2429 1.5E4 436.2543 3.7E3 441.9404 3.1E3 443.2643 4.4E4 443.6640 2.9E3 444.2682 3.4E3 445.2445 4.7E3 450.2378 1.1E5 451.1971 2.9E3 451.2407 1.1E4 454.2646 4.5E3 460.2543 1.0E4 470.2386 2.0E4 472.2924 6.1E3 484.2554 4.4E3 488.2495 1.5E5 489.2519 1.9E4 500.2856 4.2E4 502.2649 6.4E3 505.2831 3.9E3 507.2602 8.1E3 515.2642 3.9E3 516.2469 3.3E3 523.2941 3.6E3 533.2748 2.8E5 534.2776 2.9E4 550.3018 3.1E3 551.2852 3.8E4 552.2880 4.5E3 555.3293 3.8E3 573.3386 1.8E4 574.3419 3.1E3 583.3223 2.0E4 601.3332 4.2E5 602.3362 4.1E4 604.3486 1.0E4 632.3431 1.3E5 633.3458 1.8E4 634.3225 9.7E3 686.2996 3.1E3 689.3639 1.7E4 691.3435 3.5E3 762.4157 6.6E3 772.4010 1.4E4 789.4135 6.4E3 790.4131 1.6E4 790.5795 8.2E3 791.4146 4.0E3 END IONS BEGIN IONS FEATURE_ID=151 PEPMASS=790.4142 SCANS=151 RTINSECONDS=1348.987 CHARGE=1+ MSLEVEL=2 72.0811 1.3E3 86.0968 4.0E4 120.0810 1.5E4 184.0730 1.3E3 231.1129 4.1E3 233.1647 3.0E3 240.1341 1.3E3 258.1439 1.4E3 261.1593 3.6E3 275.1748 1.4E3 302.1863 1.3E3 303.1699 1.2E5 304.1731 4.9E3 313.1869 1.3E3 316.1647 7.0E3 323.1715 1.3E3 324.1548 2.5E3 330.1806 1.4E4 341.1808 7.0E3 344.1963 2.6E4 345.2003 2.3E3 362.2071 1.2E3 369.1761 3.5E3 387.2023 3.4E3 401.2177 7.1E3 401.2545 1.3E3 415.2698 2.0E3 417.2130 2.3E3 422.2427 6.3E3 429.2487 4.0E3 431.2282 2.2E3 436.2551 1.0E3 443.2649 4.1E3 450.2379 4.1E4 451.2415 3.8E3 460.2537 2.1E3 470.2385 2.7E3 485.2380 1.3E3 486.3074 1.1E3 488.2495 2.7E4 489.2534 2.5E3 500.2862 6.9E3 502.2654 1.2E3 507.2605 1.5E3 514.3016 1.1E4 515.3040 1.1E3 519.2593 2.0E4 520.2618 1.9E3 530.2965 1.1E3 533.2750 5.4E4 534.2784 5.5E3 537.2690 3.8E3 551.2855 3.8E3 556.3131 1.1E3 573.3381 3.2E3 583.3224 2.5E3 584.3063 1.2E3 590.3320 1.8E3 601.3333 5.5E4 602.3365 5.6E3 604.3479 5.3E3 618.3273 1.6E4 619.3321 2.3E3 620.3068 7.9E3 621.3098 1.1E3 632.3431 3.3E4 633.3467 4.4E3 634.3220 1.1E3 689.3659 2.6E3 703.3801 8.6E3 704.3843 1.3E3 719.3746 1.0E3 762.4160 1.1E3 772.4014 2.3E3 789.5679 1.7E3 789.6022 2.0E3 790.4127 2.2E3 790.5797 7.8E3 END IONS BEGIN IONS FEATURE_ID=152 PEPMASS=794.4076 SCANS=152 RTINSECONDS=1059.443 CHARGE=1+ MSLEVEL=2 86.0968 4.3E4 120.0809 9.8E3 143.0815 1.7E3 173.0918 1.6E3 190.0862 1.5E3 226.1186 2.0E3 231.1125 6.1E3 233.1642 2.9E3 244.1286 7.6E3 249.1230 1.2E3 261.1595 3.3E3 262.1395 2.6E3 275.1755 1.1E3 281.1601 1.4E3 299.1707 1.8E3 300.1552 2.0E3 302.1495 1.1E4 303.1700 1.1E5 304.1732 4.8E3 317.1814 2.4E3 327.1657 3.5E3 344.1963 4.5E4 345.1765 1.0E4 345.1999 2.0E3 362.2064 2.4E3 373.1717 2.5E3 373.1863 6.7E3 387.2377 1.2E3 391.1975 2.0E3 415.2331 8.6E3 422.2430 4.8E3 430.2435 1.8E3 440.2498 1.0E3 450.2380 3.0E4 451.2412 2.0E3 456.2234 1.1E3 464.2491 2.9E3 474.2337 1.0E4 475.2363 1.3E3 486.2700 6.9E3 492.2447 3.8E4 493.2478 2.9E3 504.2810 2.7E3 507.2598 1.9E3 520.2393 1.8E3 533.2750 5.2E4 534.2764 5.0E3 551.2854 7.6E3 576.3170 5.5E3 577.3342 3.8E3 578.2966 1.3E3 587.3177 9.5E3 588.3212 1.1E3 604.3122 3.6E4 605.3289 6.1E4 606.3318 7.2E3 621.3387 1.6E3 622.3223 5.3E3 652.3333 3.0E3 675.3492 1.1E4 676.3524 1.6E3 693.3597 3.9E3 694.3634 1.0E3 723.3702 6.6E3 748.4011 1.2E3 766.4115 4.8E3 776.3970 1.3E4 777.3999 2.4E3 794.4073 1.7E4 795.4108 2.7E3 END IONS BEGIN IONS FEATURE_ID=153 PEPMASS=794.4436 SCANS=153 RTINSECONDS=1097.268 CHARGE=1+ MSLEVEL=2 86.0968 6.6E3 120.0808 3.0E3 145.0971 1.4E3 201.1235 1.1E3 231.1125 1.4E3 249.1232 1.1E3 272.1602 1.2E3 303.1698 3.1E4 304.1732 1.3E3 330.1800 2.9E3 344.1962 1.4E4 345.2130 1.1E3 362.2065 2.9E3 419.2282 3.1E3 422.2427 2.7E3 443.2649 3.4E3 450.2381 2.5E4 451.2413 2.5E3 461.2753 1.5E3 492.2442 1.1E3 492.2815 2.2E3 507.2594 5.5E3 514.3013 1.4E3 523.2905 1.5E3 532.3128 2.0E3 533.2749 4.6E4 534.2786 4.4E3 551.2853 1.5E4 552.2888 1.5E3 605.3278 1.6E3 605.3649 3.4E3 606.3282 1.8E3 632.3431 3.1E4 633.3465 4.4E3 650.3541 2.0E3 703.3790 1.1E3 721.3895 1.1E3 750.2955 1.4E3 END IONS BEGIN IONS FEATURE_ID=154 PEPMASS=794.4442 SCANS=154 RTINSECONDS=1148.834 CHARGE=1+ MSLEVEL=2 86.0968 8.0E4 98.0966 4.7E3 120.0809 2.4E4 127.0863 2.4E3 145.0970 1.5E3 155.1178 9.4E3 171.1124 4.9E3 173.0917 2.6E3 173.1287 6.4E3 183.1128 1.3E3 184.0728 1.2E3 190.0861 1.6E3 191.1022 2.8E3 199.1438 1.1E4 200.1393 2.1E3 201.1232 1.8E3 210.1233 1.4E3 221.1284 1.6E3 226.1542 1.8E3 227.1388 2.9E4 228.1338 3.8E3 231.1125 1.0E4 233.1644 4.4E3 238.1544 1.2E3 245.1492 4.9E4 246.1443 5.3E3 248.1389 2.8E4 249.1234 4.6E3 255.1448 1.2E3 256.1281 1.3E3 261.1589 7.1E3 264.1705 2.0E3 266.1499 3.3E3 272.1596 3.3E3 273.1551 1.4E3 275.1747 4.3E3 278.1854 1.3E3 282.1805 7.6E3 283.1669 1.1E3 283.1758 4.4E3 291.1657 2.2E3 300.1913 1.4E4 302.1346 2.2E3 302.1853 1.3E4 303.1699 2.4E5 304.1734 1.1E4 309.1916 7.6E4 310.1949 3.8E3 315.2065 2.8E3 320.1960 5.2E3 327.2019 3.4E4 328.1859 5.8E3 328.2048 2.4E3 330.1807 7.2E3 344.1962 8.4E4 345.1998 3.0E3 345.2126 7.0E4 346.2162 3.3E3 347.2070 1.8E4 348.1910 1.1E3 348.2107 1.1E3 350.1699 1.1E3 356.1813 2.5E3 361.2227 1.5E4 362.2064 7.9E3 379.2336 1.9E3 390.2016 1.1E3 393.2121 1.4E3 415.2693 1.0E4 419.2278 3.7E3 421.2074 1.3E4 422.2111 1.3E3 422.2429 1.1E4 433.2797 3.2E3 443.2642 9.5E3 447.2600 1.7E3 449.2020 1.4E3 450.2378 8.0E4 451.2410 7.6E3 460.2910 6.4E3 461.2750 1.8E3 474.2700 5.5E3 475.2542 1.0E4 490.2664 1.3E3 492.2444 2.6E3 492.2808 6.8E4 493.2842 6.1E3 503.2493 3.4E3 505.2807 2.9E3 507.2592 6.4E3 514.3026 3.4E3 523.2903 3.1E3 532.2916 1.3E3 532.3119 2.8E3 533.2748 1.4E5 534.2766 7.8E3 534.2915 1.1E4 535.2963 1.6E3 550.3013 3.3E4 551.2853 2.9E4 551.3048 1.1E3 552.2881 2.7E3 570.3280 1.2E3 587.3535 8.1E3 588.3385 1.4E4 589.3410 1.4E3 604.3105 1.5E3 604.3482 3.0E4 605.3260 2.9E3 605.3648 7.0E4 606.3290 1.4E3 606.3683 7.2E3 632.3430 7.6E4 633.3456 1.1E4 649.3696 2.5E4 650.3482 3.2E3 650.3737 2.6E3 652.3327 9.2E3 653.3369 1.3E3 669.3594 1.4E3 678.3480 1.0E4 679.3445 1.6E3 705.3600 2.4E3 721.3895 2.9E3 723.3701 2.3E4 723.4064 4.9E3 724.3743 3.2E3 749.4233 1.6E3 751.4009 8.2E3 759.4056 2.4E3 776.4323 1.5E4 777.4156 2.7E4 778.4184 5.5E3 794.4432 8.3E4 795.4466 1.2E4 END IONS BEGIN IONS FEATURE_ID=155 PEPMASS=796.3684 SCANS=155 RTINSECONDS=988.54 CHARGE=1+ MSLEVEL=2 214.0859 1.7E3 295.1105 2.4E3 378.1472 1.3E3 502.2650 2.2E3 525.2169 1.7E3 624.2843 1.3E3 695.3200 2.0E3 732.3702 5.2E3 733.3744 1.2E3 796.3679 1.8E4 797.3719 2.3E3 END IONS BEGIN IONS FEATURE_ID=156 PEPMASS=796.3685 SCANS=156 RTINSECONDS=1014.499 CHARGE=1+ MSLEVEL=2 214.0863 1.6E3 295.1107 3.9E3 442.1793 1.6E3 502.2651 2.6E3 525.2155 2.8E3 624.2846 1.8E3 631.3238 1.7E3 649.3014 1.2E3 695.3213 2.4E3 732.3699 5.2E3 796.3679 1.2E4 797.3700 1.5E3 END IONS BEGIN IONS FEATURE_ID=157 PEPMASS=798.4386 SCANS=157 RTINSECONDS=1085.239 CHARGE=1+ MSLEVEL=2 120.0804 6.4E3 191.1024 3.8E3 201.1235 4.1E3 221.1279 1.7E3 231.1127 2.1E3 233.1644 4.3E3 247.1435 1.9E3 249.1227 3.9E3 261.1593 1.9E4 272.1597 5.7E3 290.1700 1.2E3 304.1649 1.2E3 315.2057 1.9E3 317.1846 1.3E3 318.1799 1.5E3 330.1804 1.5E4 332.1960 2.4E3 344.1963 6.5E3 348.1910 8.0E3 355.0687 2.7E3 360.2273 3.9E3 362.2064 2.2E3 363.2063 2.3E3 373.2075 3.9E3 391.2178 7.3E3 401.2169 3.2E3 408.2273 1.5E4 415.2688 1.5E3 416.2533 1.7E3 417.2484 1.4E3 419.2281 5.7E3 431.2641 1.8E3 432.2268 1.5E3 433.2794 1.6E3 443.2644 2.5E4 444.2680 1.2E3 450.2372 2.2E3 461.2747 7.2E3 462.2739 2.0E3 463.2688 1.6E3 464.2538 2.2E3 465.2480 1.8E3 467.2646 1.4E3 477.2485 3.4E3 479.2641 1.8E3 481.2799 4.1E3 489.2691 1.3E3 491.2641 2.4E4 492.2672 1.8E3 495.2587 4.3E3 507.2957 1.7E3 509.2748 1.8E4 510.2776 1.5E3 514.3014 8.3E3 520.2750 3.5E3 521.2749 1.3E3 532.3125 2.4E3 536.3218 3.4E3 538.2858 1.6E4 539.2893 1.7E3 545.3113 4.9E3 548.2859 1.4E3 562.3022 2.6E3 562.3374 1.0E4 563.3217 5.0E3 564.3165 4.1E3 566.2965 1.0E3 580.3146 1.8E3 580.3480 1.9E4 581.3514 1.7E3 590.3325 5.4E4 591.3356 5.6E3 608.3428 4.7E4 609.3461 5.4E3 616.3483 1.7E3 633.3752 1.7E3 634.3571 2.6E3 651.3885 4.7E3 661.3695 1.8E4 662.3729 2.5E3 679.3800 1.3E4 680.3837 2.3E3 762.4171 1.8E3 780.4274 1.2E4 781.4307 1.3E3 798.4382 5.1E4 798.5702 1.5E3 799.4415 9.0E3 END IONS BEGIN IONS FEATURE_ID=158 PEPMASS=804.3951 SCANS=158 RTINSECONDS=1030.236 CHARGE=1+ MSLEVEL=2 56.0788 2.3E3 59.7217 2.0E3 61.3810 2.3E3 62.3942 2.0E3 64.0479 2.3E3 67.0232 2.1E3 72.0814 2.9E3 75.8555 2.2E3 77.2402 2.4E3 78.3020 2.3E3 86.0967 4.5E3 86.5008 2.4E3 89.9355 2.2E3 91.5063 8.7E3 94.0324 2.3E3 98.0603 5.1E3 110.3614 2.5E3 119.0096 2.2E3 120.0361 2.5E3 120.0804 3.5E3 125.6642 2.7E3 129.9995 2.7E3 171.1127 3.8E3 175.9271 3.0E3 186.7629 2.5E3 190.0530 1.5E5 199.9012 3.3E3 201.1232 2.4E3 231.1124 7.1E3 233.1642 1.7E4 234.3480 2.8E3 235.0608 2.8E3 249.1231 3.9E3 254.1494 4.9E3 255.4850 2.9E3 261.1594 1.6E4 272.1599 2.9E3 275.1418 1.5E4 278.1855 3.1E3 285.1262 3.4E3 286.7958 2.6E3 303.1370 3.3E5 304.1404 1.3E4 309.1918 4.1E3 327.2023 4.0E3 330.1806 2.6E4 330.5891 2.3E3 338.1713 8.6E3 344.1962 1.4E5 345.1995 1.2E4 355.1967 1.8E4 362.2067 1.5E4 367.2334 6.9E3 373.2230 3.4E3 378.9637 2.4E3 383.1912 4.8E3 386.2072 4.0E3 400.8606 2.5E3 401.2177 1.9E4 413.2174 4.5E3 415.2338 7.3E3 415.2697 1.6E4 417.2481 3.8E3 422.2101 4.9E4 423.2124 3.1E3 431.2281 6.5E3 433.2809 2.6E3 443.2645 5.3E4 444.2677 5.4E3 445.2434 1.2E4 450.2050 2.0E5 450.2718 3.1E3 451.2097 1.6E4 461.2755 5.6E3 469.2437 7.1E3 469.2805 4.0E3 474.2695 4.7E3 484.2526 5.7E3 486.3056 5.8E3 487.2546 3.6E3 499.2537 4.1E3 502.2650 6.0E4 503.2675 3.3E3 514.3016 5.9E4 515.2316 3.8E3 515.3061 6.9E3 516.2817 5.9E3 522.2391 2.6E3 526.3015 9.0E3 530.2593 2.6E3 533.2419 2.3E5 534.2453 2.9E4 544.3113 5.8E3 551.2524 3.5E4 552.2547 3.7E3 557.6505 2.9E3 568.3112 7.4E3 570.3270 3.5E3 577.1310 2.7E3 577.5244 2.6E3 587.3536 1.1E4 597.3381 1.6E4 598.3209 4.7E3 604.3154 3.4E4 605.3177 4.1E3 610.3407 3.1E3 615.3490 2.5E5 616.3523 2.5E4 632.3102 1.9E5 632.3466 3.0E3 633.3126 2.6E4 634.2891 2.0E4 639.3489 3.0E3 639.8948 3.0E3 678.4612 2.7E3 703.3474 2.5E4 704.3487 3.9E3 705.3268 6.8E3 730.5904 2.6E3 733.3561 2.9E3 739.1204 2.8E3 740.3973 2.2E4 741.3986 3.1E3 762.7080 3.1E3 776.3972 1.0E4 786.3844 9.8E3 804.3961 1.6E4 END IONS BEGIN IONS FEATURE_ID=159 PEPMASS=804.4280 SCANS=159 RTINSECONDS=1148.834 CHARGE=1+ MSLEVEL=2 60.4003 3.1E3 60.5552 2.9E3 72.0815 4.0E3 75.2843 3.5E3 82.9333 3.7E3 85.4534 3.2E3 86.0951 6.0E3 86.0968 1.2E5 91.5083 4.9E3 95.8120 3.7E3 97.8909 3.5E3 101.1623 3.5E3 101.8785 3.4E3 102.2198 3.5E3 105.4053 3.7E3 105.5349 3.2E3 107.2067 3.2E3 108.1918 3.1E3 108.2278 3.1E3 110.1829 3.4E3 112.2402 3.6E3 120.0784 5.0E3 120.0809 3.1E4 124.6330 3.6E3 130.9484 3.4E3 137.9774 3.6E3 141.9365 3.7E3 149.1817 4.1E3 155.1175 1.1E4 173.0918 6.2E4 175.3420 3.3E3 183.1127 1.1E4 189.0729 3.4E3 190.0864 4.3E3 195.6399 4.0E3 199.8719 3.9E3 199.9815 4.1E3 201.1232 3.5E3 221.8455 3.9E3 226.6941 3.4E3 229.2355 3.8E3 231.1126 1.2E4 232.2606 3.7E3 248.1382 4.9E3 254.1495 5.8E3 256.5176 3.9E3 259.7295 4.2E3 261.0859 3.6E3 271.4829 3.9E3 272.1596 1.9E5 273.1635 5.7E3 275.1748 7.6E3 280.3099 4.6E3 282.1444 1.6E4 285.1594 2.7E4 298.1756 7.9E3 302.1855 9.2E4 303.1696 2.1E5 303.1889 6.8E3 304.1725 8.1E3 310.1749 9.0E3 315.7535 4.0E3 323.0223 4.2E3 330.1805 6.3E4 337.1883 4.7E3 344.1961 1.2E5 355.1967 1.3E5 362.2072 5.4E3 365.9799 4.0E3 370.2124 7.1E3 373.2228 1.5E4 378.0000 4.1E3 378.3020 4.9E3 383.1916 1.9E4 399.6299 4.4E3 401.2175 1.6E5 402.2214 1.1E4 415.2690 8.9E4 416.2737 7.7E3 422.2434 1.1E4 432.2279 1.2E4 441.2492 1.0E4 443.2642 5.2E4 444.2684 5.9E3 448.3761 4.7E3 450.2380 6.1E4 451.2410 4.4E3 455.3019 9.8E3 458.2751 1.6E5 459.2792 1.3E4 483.2973 7.1E3 484.2538 6.6E3 486.3055 1.8E4 502.2649 3.5E5 503.2689 3.3E4 507.2605 7.0E3 514.3015 1.0E5 515.2639 3.0E4 515.3058 8.3E3 533.2750 2.0E5 534.2776 2.3E4 550.3027 9.8E3 551.2855 1.2E4 554.3326 7.6E3 557.8124 4.1E3 571.3588 3.4E4 586.3385 1.1E4 587.3546 7.3E3 597.3392 8.7E3 604.3480 4.7E5 605.3510 5.3E4 614.3313 2.6E4 615.3485 3.5E5 615.3799 6.6E3 615.3839 4.4E3 616.3517 5.0E4 632.3428 4.6E5 633.3464 5.7E4 634.3233 1.1E4 634.9563 3.6E3 634.9930 4.5E3 662.3171 1.1E4 675.3862 8.4E3 682.5994 4.5E3 685.3677 1.7E4 703.3799 3.1E5 704.3831 4.5E4 705.3596 2.6E4 706.3607 5.9E3 733.3909 9.4E3 742.4262 7.4E3 745.3892 6.6E3 760.4063 5.8E3 760.4374 2.3E4 762.4161 5.2E3 776.4335 6.8E4 777.4373 1.3E4 786.4168 4.9E4 787.4187 6.6E3 804.4274 1.6E6 805.4305 2.8E5 END IONS BEGIN IONS FEATURE_ID=160 PEPMASS=804.4293 SCANS=160 RTINSECONDS=1319.973 CHARGE=1+ MSLEVEL=2 61.2991 1.6E3 70.5226 2.1E3 71.2911 1.5E3 72.0813 4.2E3 72.9548 1.5E3 76.7506 1.5E3 85.0392 1.9E3 86.0969 8.1E4 93.1483 1.8E3 112.6210 1.8E3 120.0808 3.3E4 121.9048 1.9E3 129.7269 1.7E3 133.0853 2.0E3 133.5801 1.8E3 143.9774 1.8E3 171.1125 5.8E3 173.0916 1.9E3 173.1286 2.6E3 183.1127 3.5E3 184.0726 4.1E3 193.5512 1.9E3 193.7240 1.9E3 201.1230 4.3E3 204.4627 1.5E3 210.0128 1.7E3 212.5694 1.9E3 221.1277 2.6E3 226.9088 1.8E3 231.1125 1.5E4 233.1649 5.1E3 240.0809 2.4E3 249.1229 5.6E3 250.6786 1.7E3 254.1490 5.6E3 261.1595 5.8E3 267.1336 4.0E3 272.1599 3.2E3 274.0658 2.0E3 275.1746 3.7E3 282.1435 2.8E3 284.1599 2.5E3 302.1851 5.1E3 303.1699 2.9E5 304.1731 1.8E4 309.1909 2.5E3 310.1754 3.9E3 320.7599 1.9E3 327.2019 4.9E3 330.1802 3.9E4 332.1598 5.2E3 332.5249 2.1E3 337.1875 6.8E3 338.1701 1.0E4 339.1747 2.2E3 344.1962 1.2E5 345.1992 7.6E3 348.6370 1.6E3 355.1970 2.4E4 358.1754 2.2E3 362.2062 9.0E3 365.0545 2.1E3 367.2333 3.9E3 373.2223 2.8E3 383.1918 9.1E3 385.1852 2.7E3 390.8883 1.9E3 394.8882 1.7E3 401.2175 2.2E4 402.2210 1.8E3 403.1961 3.2E3 411.2949 1.7E3 413.2173 2.2E3 415.2328 3.9E3 415.2688 6.4E3 416.2540 2.1E3 419.2284 2.1E3 422.2429 1.4E4 427.2345 2.2E3 429.4426 2.2E3 431.2286 7.6E3 443.2648 2.4E4 445.2435 7.8E3 450.2381 1.1E5 451.2410 8.6E3 461.2735 3.2E3 474.2703 6.9E3 479.9998 1.9E3 483.5018 1.8E3 484.2546 9.0E3 486.3069 4.9E3 502.2649 6.8E4 503.2675 6.9E3 505.2802 3.4E3 507.2578 1.0E4 514.3014 3.5E4 515.2640 2.6E3 515.3027 2.8E3 516.2827 3.1E3 523.2914 2.3E3 526.3011 5.5E3 530.2606 2.4E3 533.2749 2.6E5 534.2781 3.2E4 544.3126 3.8E3 551.2854 3.0E4 552.2901 3.1E3 570.3259 2.6E3 582.5236 1.8E3 587.3544 8.1E3 589.8402 1.9E3 597.3369 1.3E4 597.4868 1.9E3 604.3481 1.7E4 605.3506 3.4E3 606.3283 2.1E3 615.1573 2.0E3 615.3492 1.1E5 616.3517 1.5E4 628.0501 2.0E3 631.2361 1.7E3 632.3432 1.6E5 633.3460 2.6E4 634.3229 1.7E4 635.3235 2.0E3 642.9131 2.0E3 642.9407 2.1E3 643.8581 1.9E3 645.1387 1.8E3 664.1648 1.9E3 703.3807 1.8E4 705.3594 6.4E3 753.3973 1.9E3 762.8727 2.0E3 768.5951 2.0E3 770.7873 2.0E3 776.4337 3.4E3 786.4158 1.0E4 787.4998 1.9E3 804.4268 6.7E3 804.5591 6.6E3 805.3203 2.3E3 805.5916 7.4E3 END IONS BEGIN IONS FEATURE_ID=161 PEPMASS=806.4104 SCANS=161 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 86.0947 1.7E3 86.0968 2.4E4 104.0531 3.1E3 120.0809 3.8E3 171.1119 3.9E3 173.0924 1.5E3 183.1123 1.8E3 191.1026 1.4E3 215.0844 3.0E3 231.1128 2.0E3 245.1311 1.1E3 261.1594 1.3E3 272.1599 6.5E3 275.1753 1.3E3 286.1577 1.0E3 287.1416 3.8E4 290.1701 4.4E3 303.1698 4.9E4 304.1732 3.2E3 309.1917 1.1E3 314.1534 3.9E3 327.2024 1.6E3 328.1681 2.4E4 328.1856 1.2E3 329.1709 1.8E3 330.1805 3.4E3 344.1961 2.8E4 345.1995 3.7E3 345.2127 2.4E3 355.1967 3.4E3 373.2074 1.1E4 373.2198 1.2E3 385.1893 2.1E3 388.6855 3.1E3 399.2414 2.1E3 401.2047 1.5E3 401.2177 2.5E3 406.2144 4.1E3 415.2700 1.3E3 419.2275 1.9E3 427.2358 4.3E3 434.2098 2.5E4 435.2137 2.2E3 443.2644 6.4E3 458.2406 1.0E3 476.2517 1.4E3 486.2368 3.1E3 491.2310 2.3E3 492.2808 1.3E3 498.2730 3.6E3 499.2372 1.1E3 502.2658 3.8E3 504.2475 1.3E4 505.2507 1.2E3 507.2616 1.1E3 514.3024 4.3E3 516.2864 1.4E3 517.2469 8.8E4 518.2498 8.1E3 520.2750 8.1E3 532.3112 1.5E3 535.2582 1.0E4 588.3198 1.1E4 589.3377 1.6E3 599.3201 3.6E3 605.3649 2.5E3 615.3498 4.2E3 616.3152 5.8E4 617.3333 2.6E4 618.3342 3.2E3 633.3593 2.8E4 634.3262 4.9E3 634.3629 4.0E3 636.3050 5.8E3 687.3515 1.2E4 688.3547 1.5E3 705.3636 4.5E3 707.3430 7.0E3 707.3726 1.7E3 716.3595 7.6E3 717.3636 2.5E3 735.3724 4.8E3 760.4028 1.5E3 778.4144 8.5E3 779.4191 1.2E3 788.3996 1.4E4 789.4012 1.4E3 806.4100 1.7E4 807.4116 3.5E3 END IONS BEGIN IONS FEATURE_ID=162 PEPMASS=806.4070 SCANS=162 RTINSECONDS=1218.429 CHARGE=1 MSLEVEL=2 86.0968 6.2E4 120.0807 2.6E4 120.0837 1.1E3 155.0814 1.1E3 162.0908 1.1E3 173.0922 4.7E3 185.0919 1.4E4 190.0858 1.6E3 203.1021 1.9E3 231.1122 4.6E3 233.1644 4.9E3 238.1179 1.8E3 249.1228 4.0E3 256.1285 1.0E4 261.1595 9.2E3 268.1654 2.2E3 274.1390 2.5E3 275.1744 3.6E3 288.1331 1.6E3 303.1700 2.2E5 304.1732 1.2E4 311.1707 1.2E3 312.1549 2.1E3 313.1495 1.1E3 314.1489 6.2E3 319.1656 1.4E3 321.1557 3.4E3 322.1388 3.0E3 329.1810 1.1E3 332.1597 1.9E4 333.1633 1.7E3 339.1658 6.2E3 340.1499 2.4E3 344.1960 3.2E4 345.1992 2.7E3 357.1761 2.0E4 358.1770 1.1E3 359.1703 1.8E3 360.1546 1.6E3 362.2069 5.0E3 367.1600 1.8E3 369.2120 1.4E3 385.1725 3.5E3 385.1846 3.7E3 401.2176 1.8E3 403.1971 6.1E3 415.1971 5.3E3 415.2334 1.7E3 417.2483 1.7E3 419.2289 1.2E3 422.2430 1.2E4 423.2459 1.3E3 427.2334 7.7E3 433.2070 2.3E3 441.2124 1.1E3 445.2438 2.3E4 446.2462 2.6E3 450.2379 9.6E4 451.2408 9.0E3 453.2336 1.1E3 458.2385 1.6E3 459.2232 1.8E3 460.2178 5.9E3 463.2542 2.3E3 468.2226 3.5E3 470.2599 1.6E3 472.2540 2.6E3 476.2496 3.1E3 486.2337 2.0E4 487.2368 1.9E3 488.2857 1.2E3 498.2701 6.9E3 502.2639 1.3E3 504.2443 5.8E4 505.2478 6.9E3 505.2805 1.4E3 507.2592 2.1E3 510.2697 3.2E3 516.2805 1.3E4 517.2471 1.3E3 517.2843 1.4E3 523.2907 1.5E3 528.2803 3.5E3 533.2748 5.2E4 534.2462 1.0E3 534.2779 5.4E3 546.2911 2.2E3 551.2851 1.5E4 552.2892 2.5E3 573.3010 3.6E3 581.3062 5.6E3 588.3175 1.0E3 589.3329 4.2E3 590.2964 3.1E3 599.3178 2.1E4 600.3212 2.9E3 606.3273 3.4E3 608.3065 1.6E3 615.3481 1.1E3 616.3121 2.2E4 616.3540 1.3E3 617.3282 1.4E5 618.3314 1.8E4 632.3427 1.8E3 633.3126 1.2E3 634.3223 7.3E4 635.3262 1.0E4 652.3326 1.6E3 661.3342 1.2E3 687.3489 9.2E3 705.3583 5.2E3 717.3582 4.5E3 762.4152 1.0E3 770.3853 5.6E3 778.4126 2.7E3 788.3964 1.4E4 789.3993 2.9E3 805.5910 1.8E3 806.4054 5.7E3 806.4743 3.0E3 806.5779 2.1E3 807.4113 1.4E3 END IONS BEGIN IONS FEATURE_ID=163 PEPMASS=806.4647 SCANS=163 RTINSECONDS=1016.508 CHARGE=1+ MSLEVEL=2 86.0967 7.8E3 120.0806 1.5E3 191.1021 1.3E3 201.1236 1.8E3 269.1853 8.9E3 272.1601 4.1E3 296.1961 1.5E3 303.1698 2.8E4 304.1734 2.9E3 310.2119 5.3E3 328.2226 1.1E3 330.1805 1.0E3 344.1961 4.0E3 373.2073 2.7E3 385.2435 2.4E3 388.2588 3.1E3 391.2179 3.0E3 409.2804 2.7E3 416.2536 3.9E4 417.2569 2.2E3 419.2284 1.1E3 427.2912 1.6E3 443.2649 1.5E3 451.2085 2.0E3 473.2757 6.2E3 480.3177 1.1E3 489.3065 1.3E3 498.3275 2.3E3 499.2906 6.6E4 500.2939 6.8E3 503.2350 1.1E3 504.3018 2.8E3 517.2468 1.4E3 517.3011 2.1E4 518.3036 2.4E3 533.2426 1.3E3 534.2473 1.9E3 538.2868 1.1E3 570.3639 1.3E3 572.3425 2.1E3 598.3589 5.9E4 599.3607 7.0E3 615.3157 1.2E3 616.3185 4.8E3 616.3688 4.1E3 617.3204 1.6E3 617.3865 7.4E3 633.3130 3.1E3 651.3709 3.1E3 669.3954 1.2E3 687.4069 2.4E3 788.4535 2.6E3 END IONS BEGIN IONS FEATURE_ID=164 PEPMASS=808.4235 SCANS=164 RTINSECONDS=1075.297 CHARGE=1+ MSLEVEL=2 72.0813 9.7E3 86.0967 1.3E3 120.0809 3.7E3 171.1128 1.3E3 231.1123 2.7E3 272.1602 1.9E3 289.1540 3.2E4 290.1572 1.4E3 290.1705 1.6E3 303.1699 7.8E3 330.1805 2.0E4 331.1836 1.6E3 344.1962 3.1E3 348.1909 1.1E3 355.1976 1.3E3 373.2072 3.3E3 401.2024 1.1E3 401.2170 3.0E3 401.2537 1.8E3 405.2123 1.1E3 419.2281 1.4E3 429.2485 3.2E3 436.2221 9.7E3 450.2377 8.3E3 492.2800 1.1E3 500.2855 3.0E3 502.2644 2.9E3 506.2602 1.5E3 507.2594 1.6E3 518.2968 1.9E3 519.2592 2.6E4 520.2770 9.5E3 533.2748 9.8E3 537.2695 3.5E3 551.2850 3.5E3 590.3336 3.0E3 591.3483 1.4E3 601.3329 2.5E3 618.3272 1.7E4 619.3447 2.0E4 620.3470 1.4E3 632.3427 8.9E3 633.3467 1.3E3 636.3368 1.1E3 638.3164 1.4E3 689.3649 3.6E3 690.3665 1.1E3 707.3732 1.6E3 709.3529 1.5E3 737.3837 1.2E3 780.4277 2.0E3 790.4123 3.5E3 808.4223 4.9E3 END IONS BEGIN IONS FEATURE_ID=165 PEPMASS=808.4229 SCANS=165 RTINSECONDS=1089.282 CHARGE=1+ MSLEVEL=2 86.0968 4.3E4 120.0808 1.1E4 157.0970 4.1E3 173.0913 1.8E3 231.1125 6.0E3 231.1333 1.1E3 233.1645 1.7E3 240.1339 1.4E3 249.1229 1.1E3 258.1445 7.1E3 261.1591 2.5E3 275.1744 1.7E3 276.1548 3.3E3 288.1697 1.4E3 295.1756 2.0E3 303.1699 1.1E5 304.1728 4.3E3 313.1863 1.6E3 314.1706 1.3E3 316.1648 1.1E4 323.1703 1.1E3 331.1967 3.7E3 341.1812 4.7E3 344.1962 4.7E4 345.1997 2.9E3 359.1917 9.7E3 362.2067 2.1E3 387.1871 2.2E3 387.2019 6.6E3 401.2543 2.7E3 405.2131 1.9E3 422.2434 4.1E3 429.2489 9.4E3 444.2594 1.6E3 450.2379 2.9E4 451.2416 2.5E3 472.2910 1.1E3 478.2649 2.4E3 488.2496 8.7E3 500.2855 7.8E3 506.2600 2.9E4 507.2613 4.5E3 518.2977 2.0E3 519.2590 1.0E3 533.2749 7.5E4 534.2549 1.7E3 534.2783 7.9E3 550.3010 1.1E3 551.2850 8.8E3 552.2878 1.4E3 583.3221 1.3E3 590.3323 7.8E3 591.3501 4.8E3 601.3331 1.1E4 618.3273 4.4E4 619.3445 5.2E4 620.3469 6.7E3 635.3538 1.5E3 636.3372 3.7E3 652.3329 4.4E3 689.3641 1.0E4 690.3672 1.2E3 707.3744 3.4E3 709.3895 1.4E3 723.3691 2.5E3 737.3862 4.8E3 763.4020 2.1E3 780.4274 6.6E3 790.4122 1.3E4 791.4164 1.8E3 808.4225 1.3E4 809.4251 2.6E3 END IONS BEGIN IONS FEATURE_ID=166 PEPMASS=808.4232 SCANS=166 RTINSECONDS=1099.219 CHARGE=1+ MSLEVEL=2 86.0968 4.3E4 120.0808 1.1E4 157.0970 4.1E3 173.0913 1.8E3 231.1125 6.0E3 231.1333 1.1E3 233.1645 1.7E3 240.1339 1.4E3 249.1229 1.1E3 258.1445 7.1E3 261.1591 2.5E3 275.1744 1.7E3 276.1548 3.3E3 288.1697 1.4E3 295.1756 2.0E3 303.1699 1.1E5 304.1728 4.3E3 313.1863 1.6E3 314.1706 1.3E3 316.1648 1.1E4 323.1703 1.1E3 331.1967 3.7E3 341.1812 4.7E3 344.1962 4.7E4 345.1997 2.9E3 359.1917 9.7E3 362.2067 2.1E3 387.1871 2.2E3 387.2019 6.6E3 401.2543 2.7E3 405.2131 1.9E3 422.2434 4.1E3 429.2489 9.4E3 444.2594 1.6E3 450.2379 2.9E4 451.2416 2.5E3 472.2910 1.1E3 478.2649 2.4E3 488.2496 8.7E3 500.2855 7.8E3 506.2600 2.9E4 507.2613 4.5E3 518.2977 2.0E3 519.2590 1.0E3 533.2749 7.5E4 534.2549 1.7E3 534.2783 7.9E3 550.3010 1.1E3 551.2850 8.8E3 552.2878 1.4E3 583.3221 1.3E3 590.3323 7.8E3 591.3501 4.8E3 601.3331 1.1E4 618.3273 4.4E4 619.3445 5.2E4 620.3469 6.7E3 635.3538 1.5E3 636.3372 3.7E3 652.3329 4.4E3 689.3641 1.0E4 690.3672 1.2E3 707.3744 3.4E3 709.3895 1.4E3 723.3691 2.5E3 737.3862 4.8E3 763.4020 2.1E3 780.4274 6.6E3 790.4122 1.3E4 791.4164 1.8E3 808.4225 1.3E4 809.4251 2.6E3 END IONS BEGIN IONS FEATURE_ID=167 PEPMASS=808.4228 SCANS=167 RTINSECONDS=1127.406 CHARGE=1+ MSLEVEL=2 72.0813 3.6E3 86.0968 5.7E4 91.5082 1.1E3 118.0862 1.3E3 120.0807 1.6E4 159.0763 1.2E3 162.0913 1.3E3 171.1127 6.2E3 177.0863 1.1E3 190.0864 1.9E3 191.1031 1.4E3 231.1129 8.9E3 233.1646 3.6E3 240.1340 1.2E3 254.1493 1.4E3 258.1442 3.9E3 261.1594 5.9E3 269.1852 1.1E3 272.1599 4.4E3 275.1747 2.3E3 276.1548 4.8E3 290.1699 3.2E3 295.1757 1.7E3 302.1852 1.6E3 303.1700 1.7E5 304.1731 7.9E3 313.1863 2.0E3 314.1701 1.3E3 316.1644 6.6E3 323.1709 1.9E3 330.1806 3.4E4 331.1852 1.5E3 331.1970 3.6E3 336.1542 1.6E3 341.1817 4.8E3 344.1963 5.5E4 345.1995 3.1E3 359.1918 1.2E4 360.1921 1.1E3 362.2062 1.3E3 387.1869 3.1E3 387.2014 2.0E3 401.2178 4.1E3 401.2549 1.6E3 405.2128 1.3E3 407.1906 1.3E3 415.2693 3.2E3 419.2287 1.9E3 422.2432 6.0E3 429.2497 5.3E3 436.2557 1.1E3 443.2653 9.8E3 449.2398 1.7E3 450.2380 4.4E4 451.2414 5.3E3 478.2653 3.7E3 488.2497 1.0E4 500.2862 1.9E3 501.2942 1.0E3 506.2603 4.3E4 507.2626 5.9E3 514.3013 5.9E3 518.2954 1.2E3 519.2594 2.9E4 520.2631 2.8E3 520.2792 1.1E3 532.3126 1.8E3 533.2750 9.5E4 534.2550 2.0E3 534.2780 1.1E4 537.2715 3.1E3 550.3013 1.0E3 551.2860 6.9E3 552.2901 1.2E3 574.3218 1.1E3 583.3220 1.8E3 590.3318 2.3E3 591.3487 6.9E3 601.3333 9.1E3 602.3379 1.1E3 604.3483 6.8E3 605.3506 1.0E3 618.3272 1.6E4 619.3439 9.7E4 620.3470 8.7E3 632.3433 4.4E4 633.3469 6.2E3 635.3669 1.4E3 636.3381 1.5E3 638.3165 9.0E3 650.3531 2.0E3 689.3652 1.7E3 703.3806 7.1E3 709.3542 6.9E3 709.3909 2.2E3 721.3906 1.8E3 737.3855 6.3E3 762.4175 1.5E3 763.4017 2.1E3 780.4272 1.0E4 781.4310 1.3E3 790.4120 1.2E4 791.4153 1.3E3 808.4232 1.9E4 809.4268 4.2E3 END IONS BEGIN IONS FEATURE_ID=168 PEPMASS=808.4234 SCANS=168 RTINSECONDS=1208.77 CHARGE=1+ MSLEVEL=2 60.4766 7.9E3 62.8567 8.3E3 64.0610 8.5E3 66.5239 6.9E3 66.6005 9.6E3 66.8932 7.6E3 68.8357 8.0E3 72.0812 8.9E3 77.3576 7.7E3 80.0089 8.0E3 85.8589 7.4E3 86.0968 5.0E5 93.8159 8.0E3 119.4382 9.2E3 120.0781 1.4E4 120.0808 1.2E5 138.0783 8.7E3 157.0969 1.4E4 159.0767 1.2E4 160.8328 9.9E3 162.0913 1.1E4 163.9681 8.0E3 164.3958 7.7E3 168.6155 8.9E3 174.4854 8.6E3 176.4185 9.2E3 190.0862 1.5E4 215.9679 7.7E3 218.4346 7.5E3 218.8664 9.1E3 227.4171 8.4E3 231.1127 7.9E4 233.1646 2.9E4 253.0087 7.8E3 258.1441 9.1E4 261.1595 1.9E4 263.3456 8.7E3 269.4958 9.2E3 275.1745 2.7E4 276.1549 9.8E4 295.1766 1.2E4 302.1859 1.3E4 303.1699 1.1E6 304.1736 5.9E4 311.1254 1.0E4 313.1852 2.0E4 314.1707 1.1E4 323.5032 9.1E3 324.0017 8.6E3 330.1812 9.5E4 330.5044 8.6E3 331.1971 2.8E4 341.1812 2.7E4 342.5692 8.5E3 344.1964 6.0E5 345.2000 4.3E4 359.1916 4.6E4 387.1861 2.6E4 387.2018 2.3E4 415.2703 2.5E4 422.2430 4.6E4 443.2639 7.8E4 444.2608 1.7E4 450.2381 1.8E5 451.2422 2.7E4 470.2386 1.0E4 478.2652 2.5E4 488.2499 8.5E4 489.2520 1.5E4 500.2859 2.6E4 506.2604 3.0E5 507.2623 2.9E4 515.2653 1.2E4 520.2765 1.5E4 531.8282 9.0E3 532.3668 1.1E4 533.2750 7.0E5 534.2560 1.7E4 534.2784 6.5E4 551.2857 3.4E4 562.1536 9.4E3 591.3495 3.1E4 592.3531 9.1E3 601.3333 8.4E4 602.3357 1.3E4 604.3482 6.0E4 618.3300 1.1E4 619.1011 1.0E4 619.3441 7.3E5 620.3477 7.5E4 624.6219 9.4E3 632.3433 2.8E5 633.3455 2.9E4 636.0532 9.0E3 689.3646 5.3E4 709.3536 3.3E4 710.4407 8.9E3 755.6345 8.9E3 762.4156 1.2E4 763.4036 1.1E4 780.4272 4.7E4 790.4117 1.4E5 791.4148 2.5E4 808.4225 1.0E5 809.4238 1.4E4 824.2997 9.1E3 END IONS BEGIN IONS FEATURE_ID=169 PEPMASS=810.4032 SCANS=169 RTINSECONDS=884.983 CHARGE=1+ MSLEVEL=2 86.0969 4.9E3 120.0808 2.5E3 231.1131 1.1E3 261.1595 1.3E3 303.1697 2.4E4 304.1732 1.2E3 321.1075 1.2E3 330.1808 2.9E3 344.1961 8.6E3 420.1760 1.6E3 422.2429 1.7E3 434.1913 9.6E3 443.2644 2.9E3 450.2377 1.1E4 451.2413 1.0E3 491.2134 2.5E3 514.3018 2.6E3 533.2749 3.3E4 534.2787 4.0E3 576.3012 1.2E3 604.2955 1.1E3 621.3226 4.1E3 623.2702 6.6E3 632.3430 3.0E4 633.3462 3.3E3 END IONS BEGIN IONS FEATURE_ID=170 PEPMASS=812.4186 SCANS=170 RTINSECONDS=998.351 CHARGE=1+ MSLEVEL=2 86.0966 2.0E3 91.5062 1.1E3 120.0809 1.1E3 244.1290 1.5E3 302.1494 1.6E3 303.1695 1.1E4 344.1966 1.8E3 362.2063 1.5E3 363.1868 1.2E3 391.1966 1.5E3 415.2335 1.4E3 450.2377 1.1E4 492.2439 1.2E3 507.2593 2.4E3 510.2541 1.9E3 533.2745 9.5E3 534.2778 1.2E3 551.2857 4.6E3 604.3121 1.1E4 605.3131 1.0E3 622.3215 1.9E3 623.3386 4.1E3 794.4053 1.6E3 END IONS BEGIN IONS FEATURE_ID=171 PEPMASS=815.2147 SCANS=171 RTINSECONDS=945.245 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=172 PEPMASS=815.2147 SCANS=172 RTINSECONDS=946.068 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=173 PEPMASS=815.2148 SCANS=173 RTINSECONDS=946.87 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=174 PEPMASS=815.2147 SCANS=174 RTINSECONDS=947.405 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=175 PEPMASS=815.2147 SCANS=175 RTINSECONDS=949.812 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=176 PEPMASS=815.2148 SCANS=176 RTINSECONDS=950.661 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=177 PEPMASS=815.2145 SCANS=177 RTINSECONDS=951.464 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=178 PEPMASS=815.2136 SCANS=178 RTINSECONDS=957.658 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=179 PEPMASS=815.2138 SCANS=179 RTINSECONDS=959.974 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=180 PEPMASS=815.2141 SCANS=180 RTINSECONDS=965.925 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=181 PEPMASS=815.2144 SCANS=181 RTINSECONDS=966.727 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=182 PEPMASS=815.2140 SCANS=182 RTINSECONDS=967.262 CHARGE=1+ MSLEVEL=2 91.0578 2.1E3 167.0554 3.5E3 225.0430 1.7E3 239.0945 6.5E3 285.0089 1.8E3 299.0610 9.7E3 355.0692 2.6E4 356.0691 2.7E3 359.0276 4.2E3 373.0800 1.2E3 415.0356 3.0E3 429.0875 1.5E3 END IONS BEGIN IONS FEATURE_ID=183 PEPMASS=815.2144 SCANS=183 RTINSECONDS=967.797 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=184 PEPMASS=815.2141 SCANS=184 RTINSECONDS=968.332 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=185 PEPMASS=815.2141 SCANS=185 RTINSECONDS=968.867 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=186 PEPMASS=815.2141 SCANS=186 RTINSECONDS=971.02 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=187 PEPMASS=815.2141 SCANS=187 RTINSECONDS=973.363 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=188 PEPMASS=815.2134 SCANS=188 RTINSECONDS=981.209 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 3.2E3 221.0840 1.1E3 225.0425 1.8E3 239.0946 6.3E3 281.0504 1.0E3 285.0094 2.2E3 299.0612 1.1E4 355.0691 2.9E4 356.0692 1.6E3 359.0277 3.6E3 373.0801 2.2E3 415.0359 3.9E3 429.0880 2.0E3 616.3514 1.1E3 END IONS BEGIN IONS FEATURE_ID=189 PEPMASS=815.2131 SCANS=189 RTINSECONDS=1024.833 CHARGE=1+ MSLEVEL=2 91.0577 1.6E3 167.0553 2.9E3 221.0843 1.6E3 225.0424 2.1E3 239.0946 6.6E3 281.0506 1.1E3 285.0092 1.6E3 299.0612 1.1E4 355.0693 2.8E4 356.0680 2.3E3 359.0272 4.5E3 373.0799 1.4E3 415.0360 3.3E3 429.0874 1.8E3 815.2514 1.2E3 END IONS BEGIN IONS FEATURE_ID=190 PEPMASS=815.2135 SCANS=190 RTINSECONDS=2210.468 CHARGE=1+ MSLEVEL=2 91.0578 1.7E3 167.0549 2.2E3 225.0426 1.3E3 239.0944 5.6E3 285.0090 1.3E3 299.0613 8.1E3 355.0691 2.1E4 356.0678 1.7E3 359.0274 3.7E3 373.0795 1.0E3 415.0366 2.3E3 429.0881 1.7E3 END IONS BEGIN IONS FEATURE_ID=191 PEPMASS=815.2142 SCANS=191 RTINSECONDS=2239.73 CHARGE=1+ MSLEVEL=2 91.0578 1.4E3 167.0549 2.3E3 225.0426 1.1E3 239.0948 5.2E3 285.0082 1.7E3 299.0613 8.4E3 355.0692 2.5E4 356.0690 1.2E3 359.0276 3.1E3 373.0793 1.5E3 415.0358 2.4E3 429.0873 1.4E3 END IONS BEGIN IONS FEATURE_ID=192 PEPMASS=815.2139 SCANS=192 RTINSECONDS=2242.38 CHARGE=1+ MSLEVEL=2 91.0578 1.4E3 167.0549 2.3E3 225.0426 1.1E3 239.0948 5.2E3 285.0082 1.7E3 299.0613 8.4E3 355.0692 2.5E4 356.0690 1.2E3 359.0276 3.1E3 373.0793 1.5E3 415.0358 2.4E3 429.0873 1.4E3 END IONS BEGIN IONS FEATURE_ID=193 PEPMASS=815.2144 SCANS=193 RTINSECONDS=2249.062 CHARGE=1+ MSLEVEL=2 91.0578 1.4E3 167.0549 2.3E3 225.0426 1.1E3 239.0948 5.2E3 285.0082 1.7E3 299.0613 8.4E3 355.0692 2.5E4 356.0690 1.2E3 359.0276 3.1E3 373.0793 1.5E3 415.0358 2.4E3 429.0873 1.4E3 END IONS BEGIN IONS FEATURE_ID=194 PEPMASS=815.2143 SCANS=194 RTINSECONDS=2271.59 CHARGE=1+ MSLEVEL=2 91.5081 1.3E3 167.0556 1.9E3 225.0428 1.1E3 239.0948 5.8E3 281.0497 1.2E3 285.0090 1.2E3 299.0613 9.5E3 355.0694 2.3E4 356.0688 1.8E3 359.0274 4.0E3 373.0796 1.9E3 415.0356 3.4E3 429.0882 1.4E3 END IONS BEGIN IONS FEATURE_ID=195 PEPMASS=815.2142 SCANS=195 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 91.0577 1.8E3 167.0553 2.2E3 221.0842 1.4E3 225.0425 1.2E3 239.0945 5.1E3 281.0508 1.1E3 285.0092 1.5E3 299.0611 9.3E3 355.0692 2.3E4 356.0681 1.7E3 359.0277 4.0E3 373.0800 1.4E3 415.0356 2.8E3 429.0880 2.2E3 END IONS BEGIN IONS FEATURE_ID=196 PEPMASS=815.2143 SCANS=196 RTINSECONDS=2334.506 CHARGE=1+ MSLEVEL=2 167.0554 2.2E3 225.0426 1.0E3 239.0948 5.2E3 285.0081 1.9E3 299.0611 1.0E4 355.0692 2.3E4 356.0706 1.1E3 359.0273 3.4E3 373.0800 1.5E3 415.0356 3.3E3 418.9944 1.0E3 429.0876 1.7E3 END IONS BEGIN IONS FEATURE_ID=197 PEPMASS=815.2145 SCANS=197 RTINSECONDS=2336.812 CHARGE=1+ MSLEVEL=2 167.0554 2.2E3 225.0426 1.0E3 239.0948 5.2E3 285.0081 1.9E3 299.0611 1.0E4 355.0692 2.3E4 356.0706 1.1E3 359.0273 3.4E3 373.0800 1.5E3 415.0356 3.3E3 418.9944 1.0E3 429.0876 1.7E3 END IONS BEGIN IONS FEATURE_ID=198 PEPMASS=815.2148 SCANS=198 RTINSECONDS=2339.924 CHARGE=1+ MSLEVEL=2 167.0554 2.2E3 225.0426 1.0E3 239.0948 5.2E3 285.0081 1.9E3 299.0611 1.0E4 355.0692 2.3E4 356.0706 1.1E3 359.0273 3.4E3 373.0800 1.5E3 415.0356 3.3E3 418.9944 1.0E3 429.0876 1.7E3 END IONS BEGIN IONS FEATURE_ID=199 PEPMASS=815.2149 SCANS=199 RTINSECONDS=2340.727 CHARGE=1+ MSLEVEL=2 167.0554 2.2E3 225.0426 1.0E3 239.0948 5.2E3 285.0081 1.9E3 299.0611 1.0E4 355.0692 2.3E4 356.0706 1.1E3 359.0273 3.4E3 373.0800 1.5E3 415.0356 3.3E3 418.9944 1.0E3 429.0876 1.7E3 END IONS BEGIN IONS FEATURE_ID=200 PEPMASS=815.2150 SCANS=200 RTINSECONDS=2354.328 CHARGE=1+ MSLEVEL=2 91.0577 1.2E3 167.0551 2.3E3 239.0945 6.0E3 285.0092 2.1E3 299.0610 9.1E3 355.0691 2.2E4 356.0690 2.3E3 359.0278 4.3E3 373.0801 1.3E3 415.0353 2.8E3 429.0883 2.1E3 END IONS BEGIN IONS FEATURE_ID=201 PEPMASS=815.2160 SCANS=201 RTINSECONDS=2368.273 CHARGE=1+ MSLEVEL=2 91.0577 1.2E3 167.0551 2.3E3 239.0945 6.0E3 285.0092 2.1E3 299.0610 9.1E3 355.0691 2.2E4 356.0690 2.3E3 359.0278 4.3E3 373.0801 1.3E3 415.0353 2.8E3 429.0883 2.1E3 END IONS BEGIN IONS FEATURE_ID=202 PEPMASS=815.2136 SCANS=202 RTINSECONDS=2436.578 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=203 PEPMASS=815.2137 SCANS=203 RTINSECONDS=2437.647 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=204 PEPMASS=815.2143 SCANS=204 RTINSECONDS=2438.45 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=205 PEPMASS=815.2138 SCANS=205 RTINSECONDS=2438.985 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=206 PEPMASS=815.2139 SCANS=206 RTINSECONDS=2441.133 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=207 PEPMASS=815.2143 SCANS=207 RTINSECONDS=2441.729 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=208 PEPMASS=815.2144 SCANS=208 RTINSECONDS=2445.74 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=209 PEPMASS=815.2148 SCANS=209 RTINSECONDS=2449.588 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=210 PEPMASS=815.2144 SCANS=210 RTINSECONDS=2455.702 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=211 PEPMASS=815.2155 SCANS=211 RTINSECONDS=2456.504 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=212 PEPMASS=815.2155 SCANS=212 RTINSECONDS=2457.574 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=213 PEPMASS=815.2151 SCANS=213 RTINSECONDS=2458.911 CHARGE=1+ MSLEVEL=2 91.0579 1.0E3 167.0546 2.0E3 225.0426 1.8E3 239.0946 6.6E3 281.0503 1.2E3 285.0084 1.6E3 299.0612 1.1E4 355.0692 2.8E4 356.0683 1.6E3 359.0276 4.0E3 373.0798 1.6E3 415.0359 3.4E3 429.0878 2.3E3 END IONS BEGIN IONS FEATURE_ID=214 PEPMASS=818.4107 SCANS=214 RTINSECONDS=1085.239 CHARGE=1+ MSLEVEL=2 86.0969 3.2E3 120.0809 1.5E3 204.0689 1.9E4 233.1647 1.7E3 239.0945 1.6E3 261.1598 2.7E3 299.0617 1.9E3 303.1698 6.7E3 317.1521 2.1E4 318.1557 1.1E3 330.1804 2.0E3 344.1960 1.3E4 351.1656 3.3E3 355.0693 4.7E3 355.1969 1.3E3 356.0697 3.0E3 357.0652 2.8E3 415.2691 1.7E3 436.2258 2.7E3 443.2646 5.2E3 450.2376 1.1E3 459.2114 1.1E3 464.2208 1.4E4 498.2334 4.1E3 502.2650 4.8E3 514.3011 5.4E3 544.3115 1.0E3 547.2573 1.3E4 548.2603 1.0E3 565.2668 2.0E3 587.3530 1.5E3 597.3388 2.1E3 611.3186 1.9E3 615.3489 2.3E4 616.3520 3.1E3 618.3300 2.1E3 629.3257 1.1E3 646.3255 1.2E4 647.3279 1.9E3 648.3041 1.4E3 717.3625 2.2E3 754.4108 2.3E3 818.3776 1.1E3 818.4076 1.2E3 END IONS BEGIN IONS FEATURE_ID=215 PEPMASS=818.4447 SCANS=215 RTINSECONDS=1395.192 CHARGE=1+ MSLEVEL=2 86.0968 1.0E4 91.5080 1.4E3 120.0809 4.0E3 184.0730 1.2E4 185.0763 1.2E3 231.1127 1.7E3 233.1646 1.2E3 239.0943 1.8E3 261.1594 1.4E3 299.0616 2.4E3 300.0612 1.3E3 301.0582 1.1E3 303.1698 1.8E4 317.1854 1.8E4 330.1798 3.3E3 344.1961 2.2E4 355.0694 4.4E3 355.1969 1.7E3 356.0693 3.0E3 357.0652 2.7E3 362.2068 1.2E3 369.2129 1.7E3 401.2179 1.8E3 415.2334 2.5E3 443.2644 2.1E3 445.2435 1.6E3 450.2380 7.5E3 457.2796 1.5E3 464.2534 6.4E3 502.2647 4.3E3 507.2593 1.2E3 514.3012 2.8E3 516.2806 5.0E3 528.3173 2.3E3 533.2748 2.2E4 534.2781 2.7E3 547.2905 1.4E4 548.2935 1.7E3 551.2847 2.9E3 565.3006 2.1E3 597.3383 1.2E3 611.3536 1.2E3 615.3489 9.5E3 616.3534 1.6E3 618.3646 2.0E3 629.3647 7.8E3 634.3231 1.3E3 638.6065 1.4E3 646.3586 2.0E4 647.3600 2.3E3 717.3959 2.6E3 800.4296 1.1E3 817.5742 3.1E3 817.6274 3.9E3 818.5354 1.3E3 818.5804 1.3E3 818.6334 2.8E3 END IONS BEGIN IONS FEATURE_ID=216 PEPMASS=820.4237 SCANS=216 RTINSECONDS=1091.252 CHARGE=1+ MSLEVEL=2 86.0967 1.7E3 120.0809 2.7E3 130.0863 4.3E3 162.0912 1.8E3 190.0857 6.1E3 231.1120 3.0E3 269.1854 1.5E3 272.1598 1.2E3 303.1699 5.9E3 319.1646 1.1E4 330.1806 8.6E3 344.1969 1.5E3 355.0692 1.0E3 355.1976 1.8E3 360.1910 3.6E3 383.1917 1.6E3 401.2176 3.6E3 416.2540 7.8E3 431.2283 1.3E3 439.2550 1.1E3 459.2589 1.6E3 466.2329 2.1E4 467.2368 2.0E3 473.2751 2.0E3 477.2694 1.0E3 484.2549 1.3E3 499.2906 1.2E4 500.2938 1.1E3 502.2652 1.3E4 503.2685 1.3E3 517.3007 3.8E3 530.2962 4.8E3 531.2596 4.8E3 549.2695 1.0E4 550.2724 1.1E3 567.2801 1.6E3 598.3590 1.4E4 599.3608 1.6E3 613.3335 1.6E3 630.3268 1.1E3 631.3438 2.4E4 631.4003 1.1E3 632.3486 2.2E3 648.3383 1.1E4 649.3400 1.3E3 719.3742 2.9E3 802.4119 3.1E3 820.4226 3.7E3 END IONS BEGIN IONS FEATURE_ID=217 PEPMASS=820.4232 SCANS=217 RTINSECONDS=1131.257 CHARGE=1 MSLEVEL=2 86.0968 1.8E4 120.0807 1.2E3 130.0974 1.4E3 136.0756 1.9E3 146.0600 6.6E3 171.1127 1.5E3 190.0863 1.5E3 229.0966 5.0E3 233.1647 1.7E3 247.1073 9.8E3 254.1494 8.3E3 259.1434 4.9E3 272.1599 1.8E3 277.1541 1.4E3 303.1698 2.8E4 304.1732 1.9E3 311.1708 1.4E3 328.1646 7.9E3 330.1432 1.9E3 337.1868 1.2E3 338.1706 1.6E3 342.1805 1.5E3 344.1959 2.1E3 346.1754 8.2E3 355.1970 6.5E3 360.1910 1.9E4 361.1945 1.5E3 381.1762 1.9E3 383.1917 1.1E3 399.2021 5.8E3 417.2123 3.9E3 424.2543 1.1E3 431.2636 1.0E3 433.2431 1.1E3 441.2487 1.0E3 443.2281 3.6E4 444.2318 3.3E3 447.2227 1.4E3 448.2224 6.6E3 459.2112 1.3E3 459.2591 4.1E3 461.2387 4.5E3 466.2332 6.5E3 490.2651 1.0E3 500.2492 1.1E4 512.2860 3.4E3 518.2599 1.5E4 519.2637 1.1E3 530.2964 1.6E3 531.2596 1.1E4 532.2626 1.3E3 533.2752 1.0E3 542.2960 2.5E3 544.2767 1.4E3 549.2693 1.1E4 550.2734 1.0E3 567.2803 1.6E3 602.3331 1.2E3 603.3480 1.5E3 613.3334 1.5E4 614.3365 1.8E3 620.3430 1.0E3 630.3278 7.8E3 631.3439 2.8E4 632.3059 1.1E3 632.3462 3.0E3 648.3381 2.0E4 649.3406 2.4E3 701.3644 3.1E3 719.3761 1.7E3 802.4121 7.8E3 803.4135 1.2E3 820.4228 1.8E3 END IONS BEGIN IONS FEATURE_ID=218 PEPMASS=820.4237 SCANS=218 RTINSECONDS=1169.864 CHARGE=1+ MSLEVEL=2 58.6790 7.0E3 61.6272 8.1E3 65.6814 8.1E3 72.0810 1.4E4 74.2033 6.7E3 77.1510 7.7E3 85.6177 7.3E3 86.0968 4.7E5 91.3506 8.3E3 94.4152 6.8E3 95.8260 9.2E3 99.6199 7.6E3 105.8736 8.7E3 106.4417 8.4E3 109.2749 8.2E3 116.1797 7.7E3 120.0808 2.3E5 132.3681 7.8E3 145.7168 8.7E3 155.4410 7.5E3 168.1442 8.1E3 171.1130 3.9E4 173.1282 1.9E4 174.4976 9.1E3 178.0856 1.6E4 183.1130 1.1E4 184.9181 7.2E3 201.1232 3.1E4 206.0808 1.1E4 228.1339 1.4E4 231.1126 1.3E5 232.4899 8.2E3 233.1644 2.4E4 249.1230 2.4E4 254.1492 2.6E4 254.2558 8.2E3 261.1593 1.2E4 266.1503 7.9E3 267.1336 3.0E4 272.1600 2.3E4 277.1550 8.3E3 285.1593 1.1E4 291.1697 5.9E4 296.3168 9.1E3 296.5244 8.4E3 302.1861 2.3E4 303.1697 5.1E4 307.8705 8.4E3 309.1913 1.6E4 310.1754 2.5E4 314.7641 7.8E3 317.3035 8.4E3 319.1648 1.9E6 320.1683 9.9E4 327.2032 1.3E4 330.1807 2.3E5 330.4755 1.0E4 331.1853 1.0E4 332.1594 4.5E4 337.1856 4.3E4 338.1710 6.1E4 344.1962 3.1E5 345.1997 1.2E4 348.1911 1.3E4 355.1968 1.5E5 361.7127 8.5E3 362.2062 1.2E4 367.2351 1.7E4 374.1680 9.6E3 374.8932 8.7E3 383.1913 3.3E4 385.1861 1.2E4 401.2179 1.2E5 403.1966 1.7E4 413.2180 2.3E4 415.2697 1.9E4 431.2281 5.5E4 438.2373 6.2E4 443.2646 8.7E4 445.2450 1.9E4 457.2426 1.9E4 466.2330 7.3E5 467.2361 7.6E4 468.9391 8.2E3 474.2705 3.5E4 484.2547 5.8E4 486.3075 1.1E4 502.2651 4.1E5 503.2687 3.7E4 514.3012 8.6E4 521.2754 2.9E4 523.2540 7.3E4 526.3027 1.2E4 531.2590 2.0E4 533.2742 3.9E4 539.2848 2.6E4 549.2698 2.0E6 550.2730 2.1E5 566.2966 1.2E4 567.2804 2.0E5 568.2834 2.5E4 587.3543 1.5E4 597.3394 1.8E4 615.3491 2.7E5 616.3527 2.9E4 620.3095 8.9E3 620.3143 1.2E4 620.3430 1.3E5 621.3468 1.5E4 622.3223 2.2E4 628.9662 9.0E3 630.3278 1.1E4 631.3437 1.2E4 632.3428 1.8E4 648.3379 1.1E6 649.3416 1.4E5 650.3177 1.1E5 666.3478 3.2E4 691.3790 1.4E4 719.3752 1.7E5 720.3792 2.4E4 721.3541 3.4E4 721.6920 9.2E3 722.3577 8.9E3 749.3847 1.2E4 768.7970 7.7E3 792.4284 4.6E4 802.4122 4.6E4 803.4134 9.6E3 820.4226 4.4E4 829.0511 9.1E3 838.6080 8.1E3 END IONS BEGIN IONS FEATURE_ID=219 PEPMASS=820.4598 SCANS=219 RTINSECONDS=1273.49 CHARGE=1 MSLEVEL=2 59.8280 1.4E3 61.2956 1.2E3 61.8722 1.3E3 63.9778 1.4E3 65.8967 1.4E3 66.4787 1.4E3 70.2834 1.4E3 71.9599 1.4E3 73.0158 1.5E3 79.0919 1.4E3 80.7645 1.5E3 85.1208 1.5E3 86.0968 6.5E4 88.7517 1.6E3 104.6193 1.5E3 106.5868 1.8E3 116.4304 1.5E3 116.8860 1.5E3 120.0781 3.0E3 120.0808 2.4E4 123.1576 1.5E3 129.1794 1.7E3 135.7407 1.6E3 157.1222 3.2E3 161.2805 1.7E3 161.7981 1.9E3 171.1125 1.2E4 173.1288 2.0E3 176.4400 1.9E3 186.5506 1.5E3 189.1228 2.5E3 189.3555 1.8E3 201.1230 2.2E3 209.7765 1.6E3 231.1125 1.4E4 231.4790 1.7E3 233.1644 6.4E3 249.1231 4.6E3 261.1596 3.7E3 271.6207 1.5E3 272.1595 9.3E3 275.1743 3.7E3 282.1443 1.8E3 286.9197 1.9E3 288.1909 7.7E3 300.1709 1.8E3 301.1538 2.0E3 301.1738 1.7E3 302.1486 3.1E3 302.1859 4.4E3 303.1698 1.9E5 304.1732 8.5E3 318.3512 1.7E3 319.1645 2.9E4 325.2225 1.9E3 327.1649 3.0E3 330.1804 2.1E4 331.1842 2.2E3 334.3683 1.9E3 343.2332 6.1E3 344.1962 9.9E4 344.5718 1.6E3 345.1996 6.9E3 348.1910 1.7E3 353.2174 2.7E3 355.1970 2.3E3 361.7534 1.8E3 362.2062 8.6E3 367.2337 3.6E3 371.1911 3.9E3 371.2281 6.1E3 373.1863 2.6E3 392.4529 1.7E3 401.2174 9.2E3 415.2335 2.6E3 415.2536 2.0E3 415.2698 5.1E3 419.2280 1.7E4 420.2320 2.0E3 422.2433 1.2E4 438.2377 2.6E3 443.2640 1.7E4 445.2448 1.9E3 450.2381 9.7E4 451.2413 7.5E3 461.2737 2.8E3 465.2188 1.7E3 466.2328 1.2E4 466.3018 4.1E3 473.2747 1.7E3 474.2341 2.4E4 474.2708 2.1E3 486.2699 5.2E3 490.3011 3.7E3 492.3103 1.8E3 500.2858 4.8E3 502.2650 9.7E3 504.3154 1.9E3 507.2600 5.7E3 514.3012 1.5E4 518.2597 9.1E3 518.2961 1.5E4 523.2921 5.9E3 532.3115 1.5E4 533.2748 1.8E5 534.2780 1.4E4 548.2574 2.0E3 549.2695 3.7E4 550.2718 4.7E3 551.2854 4.4E4 552.2889 4.8E3 567.2794 4.0E3 569.3065 2.9E3 587.3177 3.8E4 603.3850 6.6E3 604.3118 2.8E4 604.3455 7.4E3 606.3290 2.7E3 613.3680 6.2E3 615.3488 6.1E3 620.3423 2.5E3 622.3203 2.5E3 622.3577 1.7E3 631.3433 2.7E4 631.3796 3.1E4 632.3431 1.3E5 632.3842 4.0E3 633.3466 1.7E4 634.3223 4.5E3 648.3378 2.1E4 649.3417 3.1E3 650.3192 3.2E3 650.3528 2.4E4 651.3544 2.8E3 666.3488 2.1E3 675.3499 4.2E3 701.8766 1.7E3 703.3796 1.2E4 703.4265 1.8E3 705.3604 3.2E3 719.3738 4.9E3 719.4207 1.7E3 721.3575 1.9E3 721.3902 3.1E4 722.3918 4.6E3 723.7094 1.9E3 740.1662 1.8E3 758.3862 2.7E3 761.5755 1.9E3 776.3936 5.4E3 792.4280 2.9E3 792.4619 6.2E3 802.4106 4.4E3 802.4499 3.5E3 819.4370 6.7E3 820.4631 8.2E3 820.5562 2.0E3 END IONS BEGIN IONS FEATURE_ID=220 PEPMASS=821.4216 SCANS=220 RTINSECONDS=1006.865 CHARGE=1+ MSLEVEL=2 86.0968 1.1E3 303.1691 2.2E3 344.1634 1.2E3 450.2049 5.2E3 502.2321 6.1E3 533.2415 4.4E3 615.3162 1.4E4 616.3185 1.7E3 632.3101 9.0E3 633.3134 1.7E3 707.3910 1.1E3 804.3951 2.2E3 END IONS BEGIN IONS FEATURE_ID=221 PEPMASS=821.4307 SCANS=221 RTINSECONDS=1148.834 CHARGE=1 MSLEVEL=2 59.9890 1.6E3 61.7106 1.5E3 61.7992 1.5E3 63.4406 1.6E3 66.0545 1.5E3 67.7641 1.5E3 68.9398 1.9E3 70.1598 1.4E3 71.3531 1.7E3 72.0811 2.6E4 74.0604 2.7E3 74.5035 1.7E3 74.8239 1.7E3 80.6765 1.9E3 82.8721 1.7E3 82.8738 1.7E3 86.0968 8.9E5 91.5081 4.1E3 92.1506 1.8E3 95.4890 1.9E3 95.5989 1.8E3 95.7877 1.6E3 98.5434 5.6E3 98.8927 1.7E3 99.9161 1.8E3 105.8448 2.7E3 105.9144 2.0E3 111.6439 1.9E3 112.9944 1.7E3 120.0656 1.1E4 120.0773 5.5E3 120.0809 2.1E5 127.0840 1.9E3 129.0148 1.6E3 130.0499 1.9E3 133.7761 1.7E3 135.4172 1.7E3 135.4832 1.9E3 136.0752 5.2E3 137.9085 1.9E3 143.1178 5.4E3 143.6407 1.7E3 145.0217 2.3E3 155.1178 8.9E3 156.5592 1.8E3 157.0972 6.3E3 162.0912 9.5E3 171.1126 8.6E4 173.0922 3.3E4 173.1276 3.3E3 175.1075 7.2E3 175.4577 1.7E3 179.9980 2.1E3 183.1126 1.9E4 187.1078 2.9E3 190.0858 1.6E4 191.1024 2.3E4 199.1076 2.7E3 199.9272 2.0E3 201.1234 1.3E4 203.1179 2.0E3 210.1241 1.7E3 211.1079 4.2E3 221.1283 5.7E3 227.1387 8.7E3 228.1343 4.0E3 231.1125 1.1E5 233.1646 3.5E4 245.1494 1.2E4 245.1577 1.9E3 246.1438 1.3E4 247.1070 2.5E3 248.1388 1.9E3 249.1231 1.5E4 254.1494 2.0E4 261.1591 4.3E4 272.1598 1.3E5 275.1747 3.5E4 276.1697 2.4E3 278.1867 2.1E3 282.1444 7.2E3 283.1749 2.8E3 284.1599 2.2E3 285.1587 1.0E4 290.1702 9.3E4 296.1971 3.2E3 300.1906 4.3E3 302.1508 2.1E3 302.1857 3.0E4 303.1698 2.3E6 304.1731 2.0E4 309.1908 2.6E4 316.1652 2.3E3 318.1802 3.9E3 320.1965 5.7E3 327.2020 2.6E4 328.1860 2.3E4 329.1812 2.6E3 330.1805 2.3E5 332.1967 1.8E3 337.1862 1.9E4 338.1703 2.3E3 344.1963 1.0E6 345.2004 4.9E3 345.2122 5.9E4 346.1752 1.4E4 347.1790 2.9E3 347.2065 1.1E4 347.6788 1.8E3 348.1912 1.3E4 350.1706 1.1E4 352.0421 1.9E3 353.1815 5.1E3 355.1969 8.1E4 356.1969 2.3E3 358.1749 1.1E4 360.1908 1.9E4 361.1945 5.1E3 361.2225 3.7E3 362.2064 3.4E4 364.1858 5.6E3 367.2331 1.0E4 371.1921 7.8E3 372.1936 4.0E3 373.2073 1.7E5 378.1652 2.7E3 378.2018 2.2E3 383.1922 8.2E3 385.2440 3.3E3 389.2539 4.8E3 391.2333 2.7E3 393.2125 2.9E3 401.2024 5.1E4 401.2177 9.0E4 403.1964 7.8E3 405.2120 4.0E3 415.2327 8.2E3 415.2692 5.6E4 417.2117 5.0E3 417.2474 2.7E3 419.2283 4.3E4 421.2070 1.9E4 422.2426 8.5E4 429.2121 5.5E3 431.2282 5.4E3 432.2272 2.0E3 433.2442 6.9E3 433.2802 7.9E3 443.2641 1.9E5 445.2440 4.7E3 447.2242 2.2E3 449.2009 3.5E3 449.2399 2.6E3 450.2378 7.1E5 451.2413 4.8E3 457.2434 5.7E3 458.2382 4.0E3 458.2749 1.7E4 459.2582 8.5E3 460.2632 3.2E3 460.2914 2.4E3 461.0591 2.2E3 461.2747 1.3E4 463.2535 1.3E4 466.1908 2.1E3 466.2329 1.8E4 467.2356 7.5E3 468.2812 1.5E4 469.2805 1.9E3 471.2597 2.5E3 474.2698 8.5E3 475.2544 4.3E3 476.2489 3.8E3 477.2693 6.5E3 481.2719 2.3E3 482.7325 2.2E3 484.2542 1.2E4 486.3066 1.9E4 487.2924 2.4E3 491.2659 2.7E3 492.2806 5.2E4 496.9164 1.9E3 498.2697 2.3E3 500.2498 3.1E3 500.2830 2.9E3 502.2648 1.4E5 504.3182 4.4E3 505.2803 6.1E3 507.2596 3.9E4 514.3011 1.1E5 515.2642 1.7E4 516.2795 3.8E3 518.2598 2.0E4 518.2950 2.4E3 519.2606 2.1E4 520.2754 4.5E5 523.2906 1.6E4 526.3019 4.8E3 530.2601 3.3E3 530.2964 7.1E3 531.2997 3.0E3 531.6547 2.3E3 532.3115 5.4E4 533.2748 1.9E6 534.2753 6.5E3 534.2939 2.4E4 537.2686 6.3E3 544.3092 4.1E3 548.2694 2.7E4 549.2693 3.5E4 550.2722 2.1E4 550.3005 1.5E4 551.2849 2.2E5 562.3204 8.7E3 567.2810 4.8E3 570.3292 2.4E3 571.3218 4.4E3 578.3335 2.8E3 586.3366 3.1E3 586.5577 2.0E3 587.3531 1.3E4 588.3380 1.3E4 589.3331 3.4E3 590.3344 2.7E3 597.3380 2.3E4 597.5217 2.0E3 602.3091 2.0E3 604.3478 1.8E5 605.3641 8.1E4 606.3264 2.0E4 613.3342 4.4E3 614.3346 1.1E4 615.3485 1.4E5 616.3343 2.1E3 618.3267 9.9E3 622.3577 3.8E3 631.3429 3.7E4 632.3428 1.2E6 633.3591 9.9E5 634.3218 6.2E3 636.3398 3.2E3 643.3442 2.3E3 648.3380 2.5E4 649.3408 2.2E4 649.3696 2.2E4 650.3196 3.7E3 650.3530 6.9E4 652.3322 1.0E5 661.3535 4.0E3 663.1420 2.0E3 675.3851 5.3E3 677.3636 3.7E3 677.8510 2.0E3 678.3474 6.1E3 703.3795 2.4E5 705.3583 1.0E4 719.3743 5.0E3 720.3766 7.8E3 721.3902 8.0E4 722.3624 2.0E3 723.3690 7.6E4 723.4056 2.3E4 733.3891 8.9E3 750.4133 3.9E3 751.4005 7.4E4 753.9965 2.0E3 760.4012 3.0E3 760.4377 3.4E3 776.4325 2.5E4 777.4156 3.4E4 780.4271 7.1E3 786.4156 7.1E3 794.4424 1.5E5 796.7112 2.3E3 802.4120 4.5E3 803.4131 5.9E3 804.4270 2.5E5 820.4213 1.4E4 821.4219 1.4E4 821.4583 3.4E3 822.4374 3.3E5 831.8456 2.4E3 END IONS BEGIN IONS FEATURE_ID=222 PEPMASS=821.4550 SCANS=222 RTINSECONDS=1059.443 CHARGE=1+ MSLEVEL=2 86.0968 4.4E3 120.0810 2.6E3 231.1127 1.2E3 272.1599 2.0E3 303.1699 2.7E4 304.1732 1.7E3 319.1648 1.2E3 330.1806 2.8E3 344.1960 7.1E3 348.1911 1.2E3 355.1970 4.4E3 362.2068 1.8E3 419.2284 6.6E3 422.2429 2.9E3 443.2645 2.4E3 450.2381 3.0E4 451.2419 3.0E3 461.2752 1.4E3 502.2650 3.1E3 507.2592 4.7E3 514.3017 3.4E3 519.2917 3.0E3 523.2903 1.8E3 532.3127 4.5E3 533.2751 3.5E4 534.2772 3.5E3 549.2703 1.6E3 551.2858 2.0E4 552.2899 2.4E3 597.3394 1.4E3 604.3484 1.1E3 606.3276 3.1E3 615.3488 4.0E3 632.3436 5.7E4 632.3753 5.9E3 633.3475 7.1E3 650.3541 8.7E3 703.3809 1.4E3 721.3907 4.0E3 732.3387 7.6E3 760.4000 2.7E3 761.4034 1.9E3 783.3373 1.1E3 786.4162 1.5E3 END IONS BEGIN IONS FEATURE_ID=223 PEPMASS=822.3858 SCANS=223 RTINSECONDS=1228.317 CHARGE=1 MSLEVEL=2 62.7142 3.8E3 72.0814 1.3E4 86.0968 1.3E5 87.1002 5.4E3 100.0391 3.4E3 104.0531 1.9E5 120.0809 7.9E4 131.6581 3.4E3 148.8018 3.5E3 171.1127 2.0E4 173.0917 4.2E3 175.6979 4.0E3 176.2343 3.3E3 177.9204 3.2E3 179.4424 3.7E3 179.6490 3.4E3 183.1131 5.6E3 191.1021 4.0E3 200.0376 3.3E3 201.1233 1.1E4 209.6976 3.4E3 231.1125 4.4E4 231.9622 3.3E3 233.1641 4.6E3 248.1387 4.1E3 249.1232 1.4E4 251.1208 1.4E4 253.1105 3.5E3 254.1495 1.2E4 261.1595 8.3E3 272.1600 2.5E4 279.1154 1.2E4 290.1700 8.2E3 302.1856 1.1E4 303.1701 2.4E5 304.1731 2.0E4 309.1912 1.5E4 310.1755 4.1E3 319.1649 6.4E4 320.1682 4.9E4 321.1262 4.1E5 321.1697 4.6E3 322.1296 1.9E4 327.2026 1.0E4 328.1857 4.8E3 330.1803 7.6E4 330.5555 3.9E3 331.1826 8.3E3 332.1598 1.1E4 337.1866 8.2E3 338.1704 1.4E4 344.1963 1.4E5 345.2000 1.9E4 345.2124 7.0E3 347.2068 4.9E3 355.1970 4.2E4 356.2001 4.7E3 362.1524 1.3E5 362.2080 4.3E3 363.1565 4.9E3 367.2334 4.0E3 373.2078 2.1E4 380.1631 8.1E3 383.1918 1.4E4 385.1892 5.4E3 401.2174 4.9E4 402.2218 4.4E3 403.1971 5.5E3 415.2707 1.1E4 419.2287 1.1E4 421.2059 3.9E3 422.2428 9.6E3 431.2279 1.0E4 433.2252 6.8E3 440.1995 3.2E4 443.2644 2.6E4 443.8879 3.8E3 444.2682 5.3E3 450.2377 7.0E4 451.2410 5.8E3 457.2433 6.2E3 461.2208 2.8E4 463.2000 1.0E4 466.2333 2.1E4 467.2361 3.2E4 468.1945 1.6E5 468.2394 4.9E3 469.1968 1.2E4 474.2708 6.3E3 479.2297 4.7E3 484.2543 1.1E4 492.2795 1.2E4 502.2650 8.9E4 502.8981 3.6E3 503.2680 2.1E4 507.2578 4.8E3 514.3022 2.0E4 515.3034 4.1E3 520.2756 5.0E4 521.2795 4.8E3 525.2169 1.7E4 532.2576 3.4E4 532.3135 5.8E3 533.2751 2.2E5 534.2366 5.3E3 534.2771 2.5E4 544.2570 6.1E3 548.2729 5.1E3 549.2699 2.7E4 550.2734 7.4E4 551.2312 4.0E5 551.2742 2.1E4 551.2834 1.9E4 552.2341 4.2E4 557.3088 3.8E3 562.2687 3.9E3 567.2792 4.6E3 568.2838 1.0E4 569.2418 5.9E4 569.2853 5.6E3 570.2437 6.3E3 570.3264 3.3E3 597.5389 3.3E3 604.3478 2.1E4 605.3107 4.4E3 605.3639 1.3E4 615.2947 9.6E3 615.3487 2.4E4 616.3514 7.1E3 622.3044 2.7E4 623.3085 5.6E3 632.3432 1.4E5 633.3053 9.5E4 633.3603 1.3E5 634.3080 1.3E4 634.3618 2.2E4 648.3373 6.9E3 649.3409 4.9E4 650.2997 2.5E5 650.3448 2.3E4 651.1917 3.6E3 651.3022 3.0E4 652.2784 2.3E4 652.3322 1.7E4 660.2051 3.7E3 668.3079 3.9E3 703.3796 2.5E4 721.3366 3.9E4 721.3863 1.1E4 723.3150 5.7E3 723.3693 8.7E3 751.4005 1.2E4 777.4189 4.2E3 793.4336 4.0E3 794.3892 8.9E3 794.4430 1.8E4 795.4459 5.7E3 804.3723 9.6E3 804.4276 3.7E4 805.4290 6.9E3 822.3841 8.8E3 822.4376 3.3E4 823.4422 6.0E3 END IONS BEGIN IONS FEATURE_ID=224 PEPMASS=822.4064 SCANS=224 RTINSECONDS=892.745 CHARGE=1+ MSLEVEL=2 190.0529 1.1E4 275.1418 1.5E3 303.1367 2.0E4 330.1803 1.9E3 344.1962 1.5E4 345.1986 1.0E3 373.2078 1.7E3 415.2689 1.3E3 422.2103 3.3E3 443.2650 2.5E3 450.2049 1.3E4 514.3005 1.7E3 520.2751 3.7E3 533.2421 1.6E4 534.2452 1.3E3 551.2527 2.0E3 604.3150 3.7E3 605.3637 1.4E3 615.3486 2.1E3 632.3101 1.2E4 633.3127 1.5E3 633.3594 2.2E4 634.3628 2.3E3 652.3003 1.8E3 703.3464 2.2E3 723.3350 1.1E3 751.3665 1.2E3 758.4077 2.2E3 794.4094 2.5E3 804.3948 3.7E3 821.4360 1.2E3 822.4056 8.2E3 823.4062 1.4E3 END IONS BEGIN IONS FEATURE_ID=225 PEPMASS=822.4069 SCANS=225 RTINSECONDS=908.492 CHARGE=1+ MSLEVEL=2 190.0529 1.1E4 275.1418 1.5E3 303.1367 2.0E4 330.1803 1.9E3 344.1962 1.5E4 345.1986 1.0E3 373.2078 1.7E3 415.2689 1.3E3 422.2103 3.3E3 443.2650 2.5E3 450.2049 1.3E4 514.3005 1.7E3 520.2751 3.7E3 533.2421 1.6E4 534.2452 1.3E3 551.2527 2.0E3 604.3150 3.7E3 605.3637 1.4E3 615.3486 2.1E3 632.3101 1.2E4 633.3127 1.5E3 633.3594 2.2E4 634.3628 2.3E3 652.3003 1.8E3 703.3464 2.2E3 723.3350 1.1E3 751.3665 1.2E3 758.4077 2.2E3 794.4094 2.5E3 804.3948 3.7E3 821.4360 1.2E3 822.4056 8.2E3 823.4062 1.4E3 END IONS BEGIN IONS FEATURE_ID=226 PEPMASS=822.4069 SCANS=226 RTINSECONDS=929.759 CHARGE=1+ MSLEVEL=2 86.0968 1.9E3 231.0793 5.7E3 261.1262 1.9E3 303.1697 8.7E3 330.1473 2.3E3 344.1631 8.5E3 358.2119 1.2E3 443.2310 2.6E3 450.2047 8.8E3 492.2479 1.0E3 502.2323 1.2E3 514.2680 1.0E3 520.2422 1.1E4 533.2418 1.5E4 534.2449 1.5E3 551.2523 1.9E3 569.3290 1.6E3 604.3144 1.7E3 605.3309 1.2E3 615.3173 1.3E3 632.3099 1.3E4 633.3267 2.6E4 634.3280 2.6E3 703.3472 1.3E3 723.3372 1.3E3 751.3657 1.1E3 758.4053 2.8E3 794.4090 3.1E3 804.3940 4.1E3 822.4048 8.6E3 823.4074 1.5E3 END IONS BEGIN IONS FEATURE_ID=227 PEPMASS=822.4387 SCANS=227 RTINSECONDS=1043.746 CHARGE=1+ MSLEVEL=2 86.0953 1.5E3 86.0968 1.2E4 91.5082 2.0E3 120.0809 6.0E3 130.0498 1.3E3 161.9371 1.1E3 173.0919 1.8E4 190.1983 1.1E3 201.1235 1.2E3 231.1128 1.3E3 233.1649 1.0E3 249.1230 2.6E3 261.1590 1.5E3 272.1598 1.7E4 273.1635 1.2E3 302.1862 2.5E3 303.1696 5.8E4 304.1730 2.4E3 318.1798 1.2E3 330.1803 6.6E3 334.2117 1.5E3 344.1961 2.0E4 345.1997 2.3E3 348.1912 2.1E3 355.1977 2.0E3 362.2069 7.6E3 373.2073 2.2E4 374.2103 1.7E3 401.2181 2.8E3 415.2702 1.8E3 419.2287 3.6E3 422.2424 6.6E3 432.2279 1.2E3 433.2810 1.1E3 443.2639 6.3E3 450.2377 5.7E4 451.2417 5.0E3 461.2750 4.2E3 502.2652 3.3E3 505.2794 1.5E3 507.2599 1.0E4 508.2636 1.9E3 514.3025 4.2E3 515.2643 2.0E3 520.2751 2.2E4 521.2793 1.6E3 523.2921 4.1E3 532.3112 1.6E3 533.2749 8.8E4 534.2776 8.9E3 551.2852 3.9E4 552.2880 3.0E3 588.3164 1.1E3 604.3480 1.2E4 605.3520 1.1E3 606.3276 2.9E3 614.3328 1.8E3 615.3491 3.5E3 632.3429 8.1E4 633.3589 1.5E4 634.3629 2.1E3 650.3542 7.2E3 651.3622 1.1E3 703.3804 1.1E4 721.3890 1.7E3 778.4135 1.8E3 804.4273 4.6E3 822.4377 4.6E4 823.4417 7.3E3 END IONS BEGIN IONS FEATURE_ID=228 PEPMASS=822.4387 SCANS=228 RTINSECONDS=1146.927 CHARGE=1+ MSLEVEL=2 57.8118 5.1E3 58.1969 5.6E3 61.1718 6.1E3 61.5747 5.2E3 63.7413 6.1E3 72.0812 1.1E4 73.1578 5.6E3 81.6518 5.7E3 84.1196 6.4E3 85.7792 5.6E3 86.0968 3.4E5 87.1000 5.3E3 89.9501 5.5E3 91.5063 1.2E4 93.0165 5.6E3 95.4506 5.9E3 96.4732 5.6E3 102.0648 5.4E3 104.0052 6.0E3 104.3668 6.3E3 105.8002 6.1E3 120.0810 9.2E4 150.4808 6.6E3 171.1128 3.9E4 173.0921 2.2E4 174.3969 6.3E3 175.4858 6.4E3 183.1125 1.4E4 186.9531 7.2E3 191.1026 8.8E3 201.1236 8.2E3 217.2448 6.6E3 231.1125 6.1E4 232.1164 5.6E3 233.1648 2.2E4 238.3033 6.2E3 245.1490 7.2E3 246.1441 9.7E3 249.1224 5.2E3 261.1591 2.6E4 261.9436 6.6E3 272.1599 5.7E4 273.1640 5.6E3 275.1747 1.7E4 277.5875 6.2E3 290.1707 4.5E4 302.1854 2.3E4 303.1699 8.5E5 304.1730 7.5E4 309.1911 9.1E3 309.5229 6.6E3 319.1650 2.6E4 320.1682 1.4E4 327.2019 1.1E4 327.7131 6.5E3 328.1860 8.6E3 330.1804 1.1E5 331.1850 1.2E4 331.9208 7.3E3 337.1856 7.3E3 341.8381 6.3E3 344.1963 4.7E5 345.1996 4.6E4 345.2130 2.2E4 355.1971 3.9E4 362.2065 1.8E4 373.2076 6.6E4 375.7608 6.4E3 401.2025 2.6E4 401.2177 4.2E4 402.2214 8.9E3 407.6053 6.6E3 410.0314 7.3E3 415.2698 3.8E4 416.0185 6.5E3 419.2274 1.8E4 421.2067 7.5E3 422.2430 4.8E4 443.2650 7.7E4 444.2678 1.9E4 450.2380 2.9E5 451.2405 3.7E4 458.2750 9.9E3 467.2366 1.2E4 486.3058 8.8E3 491.2659 6.8E3 492.2800 2.4E4 502.2656 8.3E4 507.2593 1.8E4 514.3024 5.8E4 515.3055 7.9E3 520.2757 2.2E5 521.2791 1.8E4 523.2910 9.9E3 532.3120 1.4E4 533.2750 7.8E5 534.0426 6.4E3 534.2773 1.2E5 534.4712 7.4E3 535.2821 8.1E3 548.2692 1.2E4 549.2712 1.4E4 550.2728 2.9E4 551.2858 7.9E4 552.2885 2.0E4 567.2665 6.9E3 598.3428 6.8E3 604.3479 7.9E4 605.3671 3.2E4 606.3265 9.1E3 615.3493 8.5E4 616.3527 2.3E4 632.3434 4.6E5 633.3610 4.4E5 634.3632 6.3E4 649.3395 1.4E4 650.3538 3.6E4 652.3323 4.0E4 703.3807 8.6E4 704.3820 1.6E4 718.7834 7.0E3 721.3901 3.6E4 722.3917 9.6E3 723.3679 2.9E4 723.4045 1.2E4 737.8151 8.6E3 751.4014 3.1E4 777.4169 1.7E4 794.4430 6.0E4 795.4448 1.7E4 804.4282 1.1E5 805.4298 1.7E4 822.4382 1.2E5 823.4398 2.8E4 848.0525 8.0E3 END IONS BEGIN IONS FEATURE_ID=229 PEPMASS=822.4369 SCANS=229 RTINSECONDS=1703.138 CHARGE=1+ MSLEVEL=2 86.0968 8.2E3 120.0809 3.1E3 171.1125 1.2E3 173.0919 2.6E3 184.0732 6.3E3 231.1118 1.0E3 272.1600 6.2E3 302.1859 1.5E3 303.1699 3.0E4 304.1726 2.0E3 330.1801 4.1E3 344.1961 1.5E4 345.1998 1.3E3 355.1969 5.9E3 373.2072 5.0E3 401.2176 3.6E3 415.2700 2.7E3 422.2426 1.5E3 443.2646 4.3E3 450.2377 1.1E4 451.2410 1.7E3 458.2756 2.3E3 502.2650 1.5E4 503.2677 1.5E3 514.3019 2.9E3 519.4034 2.1E3 520.2756 9.5E3 533.2749 3.5E4 534.2781 4.5E3 551.2841 2.1E3 562.5538 2.0E3 604.3481 9.0E3 615.3487 1.8E4 616.3517 3.8E3 632.3430 3.1E4 633.3609 2.3E4 634.3645 2.5E3 650.3519 1.3E3 652.3317 1.4E3 703.3792 6.7E3 705.3583 1.3E3 763.4199 2.2E3 764.4221 1.2E3 776.4323 5.0E3 786.4161 1.1E3 804.4275 3.9E4 804.5581 1.1E3 805.4305 6.7E3 821.5561 1.6E3 821.5919 2.2E3 822.4367 8.4E3 822.5673 4.7E3 822.6046 1.4E3 822.6426 1.5E3 823.4410 1.7E3 823.6024 1.3E3 END IONS BEGIN IONS FEATURE_ID=230 PEPMASS=823.4013 SCANS=230 RTINSECONDS=1325.696 CHARGE=2+ MSLEVEL=2 118.3903 1.5E3 120.0807 1.0E4 121.0835 1.4E3 124.9043 1.4E3 125.8730 1.6E3 132.7754 1.4E3 137.2314 1.5E3 142.9836 1.6E3 157.4210 1.6E3 157.7522 1.7E3 165.8106 1.6E3 169.9526 1.7E3 173.0922 1.7E3 183.3874 1.6E3 189.6617 1.8E3 202.2750 1.9E3 207.2968 2.5E3 214.7732 2.0E3 215.5206 1.8E3 231.1126 3.7E3 231.9513 1.8E3 232.0612 2.0E3 232.1159 2.7E3 233.1645 2.3E3 244.3112 2.0E3 257.1302 2.0E3 265.6810 1.8E3 272.1599 3.5E3 300.1491 2.0E3 303.1698 8.0E4 304.1735 5.5E4 305.1763 1.5E4 312.0119 2.2E3 321.6521 1.2E4 322.1537 2.9E3 324.6772 2.1E3 330.1802 1.6E4 331.1842 9.1E3 331.9038 2.3E3 335.1571 1.1E4 335.6578 5.2E3 338.1709 4.7E3 340.1754 2.6E3 344.1963 3.0E4 344.6554 2.5E3 345.2001 2.7E4 346.2033 5.1E3 353.4588 2.5E3 355.1973 1.3E4 356.2003 7.0E3 357.1698 5.9E4 357.2013 3.9E3 357.6721 1.9E4 358.1733 3.8E3 371.1673 7.1E3 371.6686 4.3E3 373.2082 3.7E3 374.2103 2.4E3 380.1726 3.4E3 381.6507 2.4E3 383.1911 3.0E3 388.6561 2.6E3 393.6288 2.4E3 401.2183 9.4E3 402.2211 6.6E3 404.1640 2.5E3 413.2173 2.6E3 415.2693 2.4E3 421.6914 1.5E6 422.1928 7.6E5 422.2221 2.0E3 422.2419 6.6E3 422.6943 1.4E5 423.1960 1.0E4 423.2471 3.7E3 424.2498 4.4E3 432.2324 2.8E3 435.7474 2.1E3 443.2646 5.4E3 444.2683 9.9E3 445.2709 3.6E3 450.2383 5.3E4 451.2418 5.5E4 452.2447 3.9E4 453.2491 3.1E3 461.5875 2.3E3 462.2789 3.8E3 478.3506 2.1E3 485.2584 2.4E3 486.3259 2.4E3 502.2657 5.1E4 503.2689 5.4E4 504.2714 4.0E4 505.2717 3.6E3 507.2598 2.6E3 514.3016 7.9E3 515.3055 7.9E3 516.3081 6.3E3 520.2761 7.1E3 521.2800 9.1E3 522.0165 2.7E3 523.2553 2.4E3 533.2757 6.0E4 534.2789 9.7E4 535.2819 6.0E4 536.2844 5.4E3 551.2849 1.5E4 551.3048 2.7E3 552.2367 2.7E3 552.2897 2.0E4 553.2916 1.5E4 577.3988 2.7E3 599.3465 4.4E3 604.3505 5.4E3 605.3529 6.4E3 607.3315 4.5E3 608.3324 3.2E3 615.3494 6.2E4 616.3530 9.4E4 617.3559 1.0E5 618.2270 3.2E3 618.3575 1.6E4 632.3438 7.6E4 633.3467 1.4E5 634.3486 1.6E5 635.3259 6.1E3 635.3536 2.1E4 636.3298 9.1E3 650.3544 6.7E3 651.3575 1.7E4 652.3599 2.0E4 660.9374 2.9E3 703.3801 1.6E4 704.3842 1.7E4 705.3869 1.6E4 713.3310 2.9E3 722.3956 4.2E3 724.3734 2.6E3 735.3992 8.5E3 772.8774 3.8E3 773.3817 9.3E3 777.4349 4.3E3 778.4399 7.8E3 787.4191 2.9E3 788.4232 8.3E3 795.4460 6.9E3 798.3491 5.9E3 798.3866 8.7E3 799.3535 3.5E3 799.3888 5.6E3 804.4284 1.7E4 805.4323 2.8E4 806.4344 5.4E4 807.4362 1.5E4 823.4030 3.0E5 823.4424 2.2E4 823.6050 2.9E3 823.9042 3.8E5 824.4055 1.9E5 824.4410 3.8E3 824.5832 3.4E3 824.9068 2.6E4 842.3757 2.3E5 843.3790 1.3E5 844.3818 2.5E4 1214.7986 3.1E3 1375.9891 3.5E3 1543.0762 3.3E3 1574.8777 3.8E3 1583.3353 3.5E3 1680.6454 3.7E3 END IONS BEGIN IONS FEATURE_ID=231 PEPMASS=826.3768 SCANS=231 RTINSECONDS=1004.846 CHARGE=1+ MSLEVEL=2 679.2911 1.1E3 762.3782 6.2E4 763.3813 8.1E3 826.3764 1.1E5 827.3795 1.8E4 END IONS BEGIN IONS FEATURE_ID=232 PEPMASS=826.4338 SCANS=232 RTINSECONDS=1022.826 CHARGE=1+ MSLEVEL=2 60.3595 1.0E3 67.4032 1.1E3 72.0813 2.3E3 79.2077 1.0E3 84.8919 1.1E3 86.0947 2.0E3 86.0967 2.6E4 91.5083 2.0E3 93.1279 1.0E3 95.7792 1.1E3 95.8443 1.2E3 104.3404 1.0E3 114.5514 1.0E3 120.0808 1.4E4 120.1884 1.0E3 122.8717 1.1E3 142.6810 1.1E3 159.0763 2.1E3 162.0903 1.5E3 173.1287 2.9E3 177.0864 2.4E3 195.6445 1.0E3 201.1233 1.1E4 203.1897 1.1E3 221.1279 2.5E3 221.3230 1.0E3 231.1123 5.0E3 233.1643 2.3E3 249.1229 5.7E3 253.0258 1.0E3 258.1442 1.0E4 261.1588 4.3E3 264.9202 1.1E3 275.1743 2.0E3 276.1554 2.8E3 277.3633 1.2E3 303.1698 1.5E5 304.1646 1.3E3 304.1729 7.3E3 316.1649 1.3E3 318.1806 1.7E3 320.1952 2.6E3 330.1804 1.7E4 330.8254 1.1E3 342.4460 1.1E3 344.1960 5.5E4 345.1993 3.9E3 346.2654 1.3E3 348.1909 4.5E3 353.2195 1.1E3 355.8456 1.0E3 359.1916 1.5E4 362.2066 1.4E4 373.1470 1.1E3 377.2024 2.5E4 377.2157 2.4E3 378.2042 1.1E3 387.2025 1.1E3 389.2540 1.4E3 397.0570 1.0E3 405.2122 7.2E3 415.2699 3.2E3 417.2488 1.7E3 419.2277 2.1E3 419.2641 1.4E3 422.2427 1.4E4 429.2490 3.9E3 433.2798 4.4E3 439.8725 1.2E3 443.2644 1.6E4 444.2678 1.9E3 447.2612 1.4E3 449.8817 1.3E3 450.2379 1.4E5 451.2413 1.1E4 461.2744 9.0E3 461.2975 1.2E3 463.0925 1.0E3 490.3012 1.6E3 500.2864 2.6E3 505.2797 3.8E3 506.2598 9.9E3 507.2592 2.8E4 508.2637 1.6E3 518.2961 5.0E3 519.2592 2.3E4 520.2642 1.8E3 523.2905 7.1E3 524.2708 2.6E4 525.2740 1.4E3 533.2747 2.0E5 534.2776 2.0E4 537.2698 1.1E4 538.2733 1.9E3 538.3443 1.1E3 551.2853 6.8E4 552.2894 7.8E3 602.6220 1.3E3 604.3467 5.3E3 606.3260 5.5E3 618.3271 1.6E4 619.3452 1.2E4 620.3461 1.1E3 632.3430 1.6E5 633.3467 2.1E4 636.3383 1.7E3 637.3541 4.7E4 638.3585 4.6E3 650.3542 7.5E3 695.3448 1.2E3 707.3746 4.3E3 744.7556 1.2E3 762.3782 3.1E4 762.6474 1.4E3 763.3799 4.9E3 790.4103 3.4E3 808.4227 1.7E4 809.4270 2.1E3 826.3763 4.5E4 827.3798 5.4E3 END IONS BEGIN IONS FEATURE_ID=233 PEPMASS=826.4335 SCANS=233 RTINSECONDS=1035.87 CHARGE=1+ MSLEVEL=2 60.3595 1.0E3 67.4032 1.1E3 72.0813 2.3E3 79.2077 1.0E3 84.8919 1.1E3 86.0947 2.0E3 86.0967 2.6E4 91.5083 2.0E3 93.1279 1.0E3 95.7792 1.1E3 95.8443 1.2E3 104.3404 1.0E3 114.5514 1.0E3 120.0808 1.4E4 120.1884 1.0E3 122.8717 1.1E3 142.6810 1.1E3 159.0763 2.1E3 162.0903 1.5E3 173.1287 2.9E3 177.0864 2.4E3 195.6445 1.0E3 201.1233 1.1E4 203.1897 1.1E3 221.1279 2.5E3 221.3230 1.0E3 231.1123 5.0E3 233.1643 2.3E3 249.1229 5.7E3 253.0258 1.0E3 258.1442 1.0E4 261.1588 4.3E3 264.9202 1.1E3 275.1743 2.0E3 276.1554 2.8E3 277.3633 1.2E3 303.1698 1.5E5 304.1646 1.3E3 304.1729 7.3E3 316.1649 1.3E3 318.1806 1.7E3 320.1952 2.6E3 330.1804 1.7E4 330.8254 1.1E3 342.4460 1.1E3 344.1960 5.5E4 345.1993 3.9E3 346.2654 1.3E3 348.1909 4.5E3 353.2195 1.1E3 355.8456 1.0E3 359.1916 1.5E4 362.2066 1.4E4 373.1470 1.1E3 377.2024 2.5E4 377.2157 2.4E3 378.2042 1.1E3 387.2025 1.1E3 389.2540 1.4E3 397.0570 1.0E3 405.2122 7.2E3 415.2699 3.2E3 417.2488 1.7E3 419.2277 2.1E3 419.2641 1.4E3 422.2427 1.4E4 429.2490 3.9E3 433.2798 4.4E3 439.8725 1.2E3 443.2644 1.6E4 444.2678 1.9E3 447.2612 1.4E3 449.8817 1.3E3 450.2379 1.4E5 451.2413 1.1E4 461.2744 9.0E3 461.2975 1.2E3 463.0925 1.0E3 490.3012 1.6E3 500.2864 2.6E3 505.2797 3.8E3 506.2598 9.9E3 507.2592 2.8E4 508.2637 1.6E3 518.2961 5.0E3 519.2592 2.3E4 520.2642 1.8E3 523.2905 7.1E3 524.2708 2.6E4 525.2740 1.4E3 533.2747 2.0E5 534.2776 2.0E4 537.2698 1.1E4 538.2733 1.9E3 538.3443 1.1E3 551.2853 6.8E4 552.2894 7.8E3 602.6220 1.3E3 604.3467 5.3E3 606.3260 5.5E3 618.3271 1.6E4 619.3452 1.2E4 620.3461 1.1E3 632.3430 1.6E5 633.3467 2.1E4 636.3383 1.7E3 637.3541 4.7E4 638.3585 4.6E3 650.3542 7.5E3 695.3448 1.2E3 707.3746 4.3E3 744.7556 1.2E3 762.3782 3.1E4 762.6474 1.4E3 763.3799 4.9E3 790.4103 3.4E3 808.4227 1.7E4 809.4270 2.1E3 826.3763 4.5E4 827.3798 5.4E3 END IONS BEGIN IONS FEATURE_ID=234 PEPMASS=829.4182 SCANS=234 RTINSECONDS=1327.604 CHARGE=1 MSLEVEL=2 184.0731 2.4E3 207.2271 1.1E3 421.6917 3.6E3 428.6803 2.0E3 428.6991 4.4E3 699.3726 2.1E3 727.3685 1.6E3 828.4156 4.7E5 829.4185 1.9E5 830.4207 8.9E3 END IONS BEGIN IONS FEATURE_ID=235 PEPMASS=831.3869 SCANS=235 RTINSECONDS=1314.242 CHARGE=2+ MSLEVEL=2 120.0806 5.3E3 161.9501 1.1E3 165.2156 1.1E3 171.1128 1.2E3 184.0733 1.7E3 197.4915 1.1E3 201.1237 2.0E3 221.0842 1.0E3 231.1127 4.7E3 233.1645 2.1E3 239.0950 2.7E3 254.1494 2.4E3 261.1591 1.3E3 270.3564 1.2E3 286.4807 1.2E3 299.0613 5.3E3 302.1862 2.6E3 303.1700 7.0E4 304.1729 1.2E4 309.1911 1.7E3 310.1752 1.9E3 316.6298 1.1E3 320.6313 1.3E3 329.1394 2.2E3 329.6373 2.9E4 330.1393 7.6E3 330.1806 1.3E4 331.1845 2.0E3 335.6676 1.1E3 337.1869 1.9E3 338.1711 2.9E3 339.1744 1.4E3 343.1426 3.5E3 343.6351 3.1E3 344.1963 2.4E4 344.6347 1.6E3 345.1992 4.0E3 348.1237 1.2E3 355.0699 1.9E4 355.1970 1.3E4 356.2007 1.8E3 358.6501 1.2E3 362.2065 1.5E3 364.6581 3.6E3 365.1269 3.0E3 365.1444 2.8E3 365.1562 4.5E4 365.6576 1.7E4 366.1581 6.3E3 367.2335 2.5E3 373.0797 1.5E3 374.1165 1.3E3 374.1614 2.0E3 374.6602 1.3E3 379.1535 2.0E4 379.6548 8.8E3 380.1550 4.0E3 383.1921 2.4E3 384.1950 1.2E3 393.6531 1.4E3 401.2177 8.8E3 402.2216 2.5E3 403.8287 1.2E3 407.6468 2.1E3 407.6637 1.2E3 415.2333 1.2E3 415.2692 2.9E3 420.6720 1.1E4 421.1736 1.9E3 421.6909 3.7E3 422.2437 6.1E3 428.6800 8.4E3 429.0886 4.1E3 429.1796 5.2E4 429.6779 5.0E5 430.1793 2.5E5 430.6795 8.8E4 431.1804 1.1E4 431.2284 2.3E3 433.2796 1.1E3 441.2404 1.2E3 443.2654 8.2E3 444.2682 1.6E3 445.2280 1.5E3 445.2439 2.0E3 450.2383 4.2E4 451.2419 1.4E4 467.7506 1.5E3 474.2722 2.2E3 476.1620 1.6E3 484.2549 2.7E3 502.2655 5.0E4 503.1079 1.8E3 503.2694 1.4E4 504.1586 2.0E3 507.2589 2.1E3 514.3022 1.5E4 515.3060 2.5E3 516.2811 1.8E3 533.2756 7.5E4 534.2787 2.1E4 535.2827 3.2E3 550.2996 1.4E3 551.2859 1.7E4 552.2900 4.0E3 561.2151 7.6E3 561.2722 1.5E3 562.2188 1.8E3 563.2158 1.5E3 587.1954 1.6E3 587.3552 2.7E3 597.3380 3.8E3 598.3428 1.7E3 604.2209 2.5E3 604.3491 8.0E3 605.3527 2.1E3 606.3295 2.1E3 610.1949 2.2E3 611.1995 1.5E3 615.3497 8.4E4 616.3533 2.9E4 616.7410 1.3E3 617.3563 6.1E3 624.2345 1.5E3 632.3438 1.0E5 633.3472 4.3E4 634.3231 9.8E3 634.3494 6.3E3 635.3269 2.2E3 650.3533 1.0E4 651.3577 2.6E3 657.2720 1.7E3 658.2683 2.3E4 659.2712 9.1E3 660.2472 3.4E3 660.2750 2.0E3 660.3380 1.6E3 686.2632 2.9E4 687.2662 1.2E4 688.2637 5.1E3 703.2892 4.0E3 703.3817 2.1E4 704.3846 9.5E3 705.3601 2.4E3 706.3651 2.1E3 730.3105 1.8E3 731.3164 2.0E3 732.3257 1.6E3 733.3911 3.2E3 757.3011 5.6E3 758.3037 3.3E3 759.3000 8.1E3 766.2867 2.5E3 767.2878 1.8E3 776.4339 3.9E3 786.4168 7.1E3 787.4200 2.9E3 796.3474 8.7E3 797.3497 3.5E3 804.4282 2.6E4 805.4330 1.3E4 806.4340 1.9E3 813.3152 3.7E3 813.3564 2.4E3 814.2827 5.2E3 814.3216 1.7E4 814.3583 7.4E4 815.2876 4.3E3 815.3243 1.1E4 815.3615 4.5E4 816.2910 2.0E3 816.3245 3.0E3 816.3597 2.4E4 817.3635 2.4E3 830.4193 1.9E3 830.8899 3.8E3 831.3895 4.1E4 831.4252 1.3E4 831.6091 1.1E4 831.8906 4.5E4 832.3895 1.9E4 832.5697 2.0E3 832.6132 3.7E3 832.8949 5.1E3 839.3375 2.1E3 840.3377 1.2E4 841.3414 4.8E3 845.3052 1.6E3 856.3508 2.2E3 857.3483 2.9E4 858.3480 3.1E5 859.3511 1.7E5 860.3508 6.7E4 861.3533 6.6E3 900.0161 1.6E3 1248.2319 1.6E3 1393.0094 1.7E3 END IONS BEGIN IONS FEATURE_ID=236 PEPMASS=832.4605 SCANS=236 RTINSECONDS=1471.205 CHARGE=1+ MSLEVEL=2 86.0968 1.2E4 104.1072 1.4E3 117.0912 1.5E3 120.0808 4.3E3 184.0732 7.6E3 218.1172 3.9E3 231.1126 1.8E3 233.1647 1.1E3 239.0947 4.2E3 261.1588 2.7E3 299.0613 6.0E3 330.1804 6.0E3 331.2010 4.2E4 332.2047 2.1E3 338.1711 1.5E3 344.1962 2.8E4 345.1992 1.8E3 345.2172 1.1E3 355.0692 1.8E4 355.1971 3.6E3 356.0695 2.4E3 359.0271 1.8E3 362.2074 1.7E3 367.2339 1.5E3 373.0801 1.1E3 401.2176 3.9E3 415.0356 3.0E3 415.2336 1.4E3 415.2696 1.5E3 429.0880 2.0E3 431.2276 1.6E3 443.2644 5.8E3 445.2434 1.5E3 450.2745 3.1E3 478.2694 1.7E4 479.2721 1.7E3 484.2552 1.4E3 486.3055 1.1E3 502.2652 1.1E4 503.1069 1.3E3 503.2676 1.1E3 514.3014 8.0E3 515.3052 1.0E3 526.3021 1.4E3 535.2897 1.2E3 561.3060 3.1E4 562.3096 4.1E3 579.3165 4.2E3 587.3533 1.7E3 597.3387 2.2E3 601.3320 1.1E3 615.3489 2.6E4 616.3525 2.9E3 632.3785 1.9E3 660.3747 2.3E4 661.3779 3.3E3 662.3544 2.4E3 731.4120 2.8E3 831.6078 1.0E4 832.5724 3.3E3 832.6106 7.4E3 833.6232 1.0E4 END IONS BEGIN IONS FEATURE_ID=237 PEPMASS=834.4374 SCANS=237 RTINSECONDS=1212.599 CHARGE=1 MSLEVEL=2 72.0811 1.8E3 86.0968 3.6E4 120.0808 1.3E4 167.0551 1.1E3 184.0733 2.7E3 201.1231 1.5E3 231.1128 5.1E3 233.1647 2.9E3 239.0943 3.1E3 258.1443 2.9E3 261.1592 4.9E3 295.1761 1.1E3 296.1594 1.4E3 299.0609 3.8E3 300.0611 1.9E3 301.0578 1.0E3 303.1697 9.9E4 304.1731 1.9E3 313.1872 1.4E3 317.1852 4.6E4 318.1887 2.4E3 323.1703 1.4E3 324.1549 2.0E3 328.1674 1.0E3 330.1803 1.9E4 332.1601 1.7E3 341.1809 7.3E3 344.1962 5.6E4 345.1989 2.4E3 353.1815 2.2E3 354.1650 1.6E3 355.0693 8.1E3 356.0693 3.9E3 357.0660 3.3E3 359.0276 1.3E3 360.1909 1.2E3 362.2062 2.9E3 369.1765 3.3E3 371.1916 2.3E3 387.2015 4.9E3 399.2020 1.7E3 415.1844 1.0E3 415.2693 3.6E3 417.2125 3.5E3 422.2430 7.1E3 422.6692 1.1E3 423.1703 1.0E3 431.2288 1.4E3 433.2806 1.0E3 434.2094 1.5E3 436.2577 2.4E3 443.2641 1.7E4 445.2438 2.5E3 450.2377 5.1E4 451.2406 1.1E3 460.2550 2.6E3 461.2746 2.1E3 464.2534 1.4E4 470.2391 4.9E3 486.2369 1.7E3 488.2494 8.1E4 489.2537 1.3E3 500.2498 2.7E3 500.2859 7.9E3 502.2646 1.9E3 507.2591 2.7E3 517.2466 2.7E3 518.2607 1.0E4 530.2961 3.6E3 532.2743 2.1E3 533.2747 8.7E4 534.2786 3.7E3 547.2903 3.5E4 548.2934 3.2E3 551.2854 1.5E4 565.2991 3.4E3 573.3387 5.0E3 583.3225 6.9E3 599.3215 2.8E3 600.3249 2.1E3 601.3332 2.3E5 602.3359 5.1E3 603.3471 1.8E3 604.3486 2.5E3 606.3274 2.5E3 613.3330 2.1E3 616.3151 5.6E3 617.3186 2.7E3 618.3628 1.3E3 631.3437 2.5E4 632.3430 9.4E4 633.3464 2.9E3 634.3220 4.0E3 645.3582 3.0E3 646.3585 2.1E4 647.3600 2.9E3 648.3381 1.2E3 650.3535 6.3E3 657.3360 1.3E3 689.3644 1.0E4 691.3434 1.1E3 715.3784 1.6E3 733.3900 3.7E3 734.3931 1.1E3 762.4163 5.4E3 772.4007 8.2E3 790.3501 1.7E3 790.4115 1.6E4 806.4442 1.3E3 833.6226 3.7E3 834.3747 1.1E3 834.4390 1.6E3 834.6270 2.9E3 END IONS BEGIN IONS FEATURE_ID=238 PEPMASS=834.4390 SCANS=238 RTINSECONDS=1283.125 CHARGE=1+ MSLEVEL=2 72.0811 3.0E3 86.0968 6.9E4 106.4580 1.2E3 120.0809 1.8E4 171.1126 4.8E3 173.1279 2.1E3 183.1124 1.7E3 184.0731 3.1E3 192.1015 2.5E3 201.1234 4.8E3 220.0967 9.2E3 221.1279 1.2E3 231.1124 9.4E3 233.1648 1.7E3 239.0945 2.0E3 249.1232 2.9E3 254.1496 3.1E3 261.1588 3.5E3 267.1332 3.1E3 272.1598 2.5E3 282.1442 1.2E3 299.0617 3.3E3 300.0616 1.4E3 301.0577 1.4E3 302.1859 2.7E3 303.1696 4.9E3 305.1853 6.0E3 309.1916 3.1E3 310.1751 3.3E3 317.1855 2.0E3 327.2018 3.3E3 330.1805 2.9E4 332.1595 4.6E3 333.1804 2.6E5 334.1838 1.1E4 337.1861 4.1E3 338.1702 5.6E3 344.1963 4.8E4 345.2000 3.0E3 355.0690 6.9E3 355.1967 1.7E4 356.0685 3.6E3 357.0661 3.5E3 359.0278 1.1E3 362.2069 1.9E3 367.2331 1.3E3 373.2227 2.4E3 383.1920 4.5E3 401.2174 1.6E4 403.1964 1.6E3 413.2175 2.3E3 415.2338 1.1E3 415.2700 1.7E3 416.2166 1.5E3 429.0881 1.1E3 431.2280 6.3E3 443.2645 8.4E3 445.2442 2.8E3 450.2389 1.2E3 452.2533 6.0E3 457.2434 1.9E3 464.2538 1.3E3 474.2706 4.0E3 480.2485 9.0E4 481.2519 7.8E3 484.2545 6.3E3 485.2566 1.2E3 502.2651 4.6E4 503.2682 5.2E3 514.3011 1.3E4 526.3020 1.3E3 533.2741 2.2E3 535.2897 2.4E3 537.2696 9.4E3 538.2734 1.2E3 544.3113 2.0E3 545.2751 2.3E3 553.3013 2.4E3 563.2853 2.3E5 564.2886 2.4E4 581.2957 2.5E4 582.2997 2.6E3 587.3553 2.0E3 597.3383 4.2E3 601.3337 2.5E3 615.3486 3.9E4 616.3526 4.8E3 632.3438 1.6E3 634.3296 1.0E3 634.3587 1.4E4 635.3619 1.7E3 636.3376 2.3E3 662.3535 1.3E5 663.3564 1.8E4 664.3326 1.2E4 665.3367 1.2E3 680.3634 2.6E3 733.3909 1.8E4 734.3924 2.3E3 735.3703 3.5E3 763.4022 1.3E3 789.4142 1.6E3 790.4119 1.1E3 798.3678 1.4E3 806.4427 4.2E3 816.4266 5.5E3 833.6238 4.9E3 834.4386 5.0E3 834.5858 1.0E3 834.6267 4.0E3 835.4412 1.0E3 END IONS BEGIN IONS FEATURE_ID=239 PEPMASS=835.4713 SCANS=239 RTINSECONDS=1300.726 CHARGE=1+ MSLEVEL=2 72.0812 1.7E3 86.0967 3.1E4 91.5084 1.3E3 104.0530 2.7E3 120.0781 1.7E3 120.0807 1.6E4 171.1126 2.9E3 173.0918 1.3E3 184.0730 4.3E3 220.0964 1.1E3 231.1128 1.9E3 233.1641 2.3E3 258.1438 1.3E3 261.1587 3.9E3 272.1599 2.9E3 299.0607 1.4E3 300.0606 1.2E3 303.1697 1.1E5 304.1725 5.2E3 310.1752 1.2E3 313.1860 1.2E3 316.1646 1.1E4 318.1455 1.2E3 321.1269 1.3E3 324.1546 2.8E3 330.1802 1.8E4 331.1840 1.4E3 331.2008 6.0E3 333.1801 2.2E4 334.1842 5.4E3 335.1421 3.8E3 341.1812 1.2E4 344.1960 1.6E4 345.1992 1.5E3 348.1917 1.7E3 353.2173 2.2E3 355.0688 2.9E3 355.1967 2.8E3 356.0694 2.7E3 357.0663 1.6E3 362.1524 3.1E3 369.1759 2.3E3 369.2125 1.1E3 387.2024 4.0E3 401.2173 2.5E3 401.2536 1.4E3 415.2329 1.6E3 417.2126 3.1E3 422.2428 8.4E3 429.2487 9.9E3 431.2279 3.3E3 433.6800 1.1E3 436.2550 1.4E3 440.7155 1.5E3 443.2281 1.1E3 443.2645 1.8E3 450.2378 8.1E4 451.2412 9.7E3 457.2447 1.2E3 460.2541 2.2E3 470.2390 2.9E3 478.2692 1.1E3 480.2485 7.3E3 481.2533 3.9E3 482.2091 1.3E3 488.2492 6.0E4 489.2524 3.5E3 500.2854 1.1E4 501.2906 1.5E3 502.2644 7.9E3 503.2672 2.4E3 506.2585 1.3E3 512.2863 1.4E3 514.3015 1.6E3 519.2590 7.8E4 520.2622 9.0E3 523.1495 1.0E3 530.2964 1.2E3 533.2750 1.1E4 534.2759 1.2E3 537.2692 1.6E4 538.2738 1.6E3 551.2301 2.6E3 551.2850 1.3E3 556.3116 1.0E3 561.3063 3.9E3 563.2853 1.5E4 564.2883 1.0E4 565.2475 3.9E3 573.3373 3.9E3 581.2953 2.3E3 583.3218 4.1E3 590.3318 1.8E3 596.2665 1.0E3 601.3333 1.0E5 602.3359 1.2E4 615.3496 4.6E3 616.3528 1.8E3 618.3273 9.4E4 619.3247 9.5E3 619.3453 4.6E3 620.3072 8.5E3 620.3323 1.3E3 621.3102 1.1E3 632.3420 9.7E3 633.3038 3.0E3 633.3469 1.8E3 634.3201 1.3E3 636.3378 7.4E3 637.3420 1.5E3 646.3597 1.3E3 647.3191 1.6E3 662.3538 8.8E3 663.3571 7.8E3 664.3132 2.3E3 689.3621 5.3E3 690.3662 1.9E3 691.3437 1.4E3 717.3992 1.1E3 719.3764 4.4E3 733.3915 1.5E3 762.4164 3.3E3 772.4012 5.8E3 790.4120 1.5E4 791.4113 2.1E3 818.4393 1.1E3 834.6264 3.0E3 835.6347 2.3E3 836.4521 1.1E3 END IONS BEGIN IONS FEATURE_ID=240 PEPMASS=836.4539 SCANS=240 RTINSECONDS=1141.182 CHARGE=1+ MSLEVEL=2 86.0968 6.7E3 91.5080 1.2E3 120.0806 4.0E3 201.1233 1.2E3 231.1122 1.4E3 249.1231 1.4E3 272.1595 1.3E3 286.1755 2.9E3 303.1697 2.2E4 317.1854 1.4E4 330.1801 2.9E3 335.1594 3.4E3 344.1962 1.7E4 348.1908 1.3E3 355.0696 1.7E3 357.0665 1.3E3 362.2074 5.1E3 376.1855 1.1E3 387.2228 1.0E3 401.2174 1.1E3 415.2332 1.1E3 419.2277 3.5E3 422.2429 2.0E3 433.2433 3.7E3 443.2643 2.0E3 450.2378 2.1E4 451.2426 2.0E3 457.2791 1.8E3 464.2536 1.3E4 482.2281 1.1E3 507.2593 4.1E3 514.3013 2.1E3 521.2755 1.9E3 523.2900 1.7E3 528.3159 1.7E3 532.3120 2.2E3 533.2749 3.3E4 534.2742 2.8E3 546.3269 2.0E3 547.2903 1.7E4 548.2935 2.0E3 551.2855 1.6E4 552.2885 1.4E3 565.2654 2.1E3 565.3005 8.8E3 618.3636 1.3E3 620.3429 1.4E3 632.3436 5.0E3 633.3613 3.1E3 646.3588 4.1E4 647.3368 1.1E3 647.3628 5.0E3 664.3328 1.6E3 664.3680 4.1E3 717.3965 1.9E3 735.4072 3.0E3 END IONS BEGIN IONS FEATURE_ID=241 PEPMASS=836.4543 SCANS=241 RTINSECONDS=1199.137 CHARGE=1+ MSLEVEL=2 58.3016 5.5E4 59.4565 5.5E4 61.0309 5.6E4 62.0119 4.9E4 62.6023 4.9E4 63.0449 5.5E4 63.3151 4.8E4 63.3809 5.5E4 68.3771 6.9E4 70.8431 5.5E4 72.0813 6.1E4 76.3391 6.3E4 79.2813 6.7E4 83.0352 6.9E4 84.0418 5.7E4 86.0968 3.1E6 87.7505 5.9E4 95.2884 6.3E4 98.5942 5.7E4 99.0959 5.9E4 108.1851 7.6E4 112.0053 5.9E4 120.0781 1.2E5 120.0809 6.3E5 130.1319 6.0E4 134.3793 6.0E4 148.9364 6.3E4 171.1122 1.0E5 173.0919 1.3E5 185.1282 2.5E5 186.3688 6.8E4 191.1024 1.2E5 197.1283 6.3E4 199.3855 5.8E4 204.1012 9.2E4 231.1127 3.7E5 233.1643 2.0E5 254.1497 8.7E4 261.1591 2.1E5 272.1599 2.0E5 286.1756 2.7E5 289.1897 9.5E4 290.1694 8.1E4 302.1854 1.1E5 303.1696 4.6E6 304.1729 1.9E5 304.1864 2.7E5 309.1916 1.1E5 316.2011 1.4E5 317.1853 3.1E6 318.1884 1.1E5 330.1798 4.2E5 344.1960 5.9E6 345.1993 2.9E5 345.2116 9.9E4 355.1972 1.2E5 359.2281 2.2E5 362.2069 2.4E5 369.2126 9.8E4 373.2064 3.2E5 387.2226 3.8E5 401.2033 1.1E5 401.2174 2.4E5 415.2184 1.0E5 415.2328 3.1E5 415.2701 9.8E4 419.2274 1.1E5 421.2066 1.4E5 422.2435 1.3E5 429.2849 1.2E5 433.2437 9.8E4 436.2578 1.7E5 443.2648 4.3E5 449.7250 8.1E4 450.2378 1.6E6 451.2404 8.1E4 457.2800 4.9E5 464.2531 9.4E5 465.2576 9.0E4 477.8483 6.9E4 486.3098 7.2E4 492.2809 1.0E5 502.2646 3.0E5 506.2966 2.1E5 507.2597 1.8E5 514.3008 2.8E5 516.2808 3.9E5 520.2754 9.0E5 521.2746 6.7E4 528.3154 3.0E5 532.3118 7.9E4 533.2746 4.6E6 534.2935 1.1E6 535.2944 1.0E5 538.8418 6.1E4 546.3273 1.3E5 547.2902 2.8E6 548.2935 2.2E5 550.3038 8.7E4 551.2859 7.1E5 552.6413 6.2E4 565.3000 4.0E5 567.3803 5.9E4 594.0224 6.7E4 597.3384 9.0E4 600.8232 6.6E4 605.3643 2.4E5 611.3557 8.3E4 615.3480 3.4E5 618.3635 8.1E5 619.3821 3.0E5 629.3641 3.2E5 633.3592 2.5E6 634.3621 3.3E5 646.3583 4.1E6 647.2172 7.9E4 647.3765 1.9E6 648.3790 2.1E5 648.4108 7.3E4 652.3325 2.7E5 663.3816 9.4E4 664.3712 3.1E5 666.3495 1.4E5 717.3958 7.4E5 718.3984 8.6E4 723.3688 2.7E5 735.4060 3.1E5 737.4203 8.3E4 765.4156 3.6E5 777.3033 7.1E4 787.9688 7.6E4 790.4448 9.4E4 790.5486 8.0E4 791.4340 1.3E5 808.4584 5.6E5 818.4417 9.0E5 819.4449 7.9E4 836.4535 1.2E6 837.4553 2.1E5 END IONS BEGIN IONS FEATURE_ID=242 PEPMASS=837.4196 SCANS=242 RTINSECONDS=1395.192 CHARGE=2+ MSLEVEL=2 120.0807 6.4E3 126.5593 1.1E3 135.2679 1.0E3 144.0822 1.1E3 151.6702 1.0E3 153.7839 1.0E3 158.7031 1.2E3 161.6987 1.1E3 173.8606 1.1E3 176.1062 1.2E3 201.9921 1.1E3 206.1716 1.2E3 210.5097 1.2E3 231.1122 2.8E3 242.6504 1.3E3 262.6460 1.5E3 303.1700 2.9E4 304.1734 1.5E4 305.1765 5.2E3 305.2034 1.3E3 317.1855 2.9E4 318.1889 2.0E4 319.1915 7.8E3 328.6390 1.7E3 328.6589 7.8E3 329.1611 2.3E3 329.6374 2.5E3 330.1804 7.0E3 331.1841 3.0E3 336.6458 3.2E3 338.1702 2.2E3 341.2189 1.9E3 342.1649 1.2E4 342.6667 4.1E3 344.1964 2.3E4 345.2002 1.6E4 346.2027 7.6E3 352.1859 2.5E3 352.2075 1.5E3 355.1971 5.0E3 356.2002 2.2E3 360.6441 1.8E3 362.2065 2.4E3 364.1779 4.3E4 364.6800 1.4E4 365.1565 3.0E3 365.1809 2.6E3 369.1893 1.6E3 369.2127 4.8E3 372.1642 4.9E3 378.1748 4.0E3 379.1530 2.8E3 386.1617 3.4E3 387.1809 3.5E3 398.2110 1.8E3 401.2181 2.8E3 407.9093 1.8E3 415.2338 2.4E3 416.2375 1.5E3 422.2440 2.2E3 428.6993 1.1E6 429.2008 5.6E5 429.2303 2.4E3 429.6786 3.8E4 429.7020 1.2E5 430.1788 5.2E3 430.2032 5.3E3 435.6877 6.5E3 436.1867 1.2E4 436.6854 5.7E4 437.1864 1.3E4 443.2652 4.1E3 444.2676 3.2E3 445.2442 2.6E3 449.5788 1.7E3 450.2386 1.9E4 450.3375 2.1E3 451.2419 1.9E4 452.2451 1.1E4 453.2477 2.3E3 464.2540 1.9E4 465.2578 2.3E4 466.2610 1.7E4 467.2603 2.4E3 499.2743 2.1E3 502.2659 2.7E4 503.2689 2.8E4 504.2722 1.8E4 505.2744 2.3E3 514.3017 6.7E3 515.3058 5.7E3 516.2819 1.7E4 516.3082 4.8E3 517.2843 1.7E4 518.2872 1.5E4 528.3190 3.1E3 529.3218 1.7E3 533.2756 3.2E4 534.2786 2.8E4 535.2817 2.3E4 536.2841 3.6E3 547.2911 2.0E4 548.2943 2.7E4 549.2652 1.8E3 549.2978 3.1E4 550.2999 2.7E3 551.2873 6.5E3 552.2891 7.1E3 553.2918 1.0E4 565.3022 1.8E3 566.3049 9.1E3 567.3086 1.0E4 598.3438 2.6E3 599.3457 3.9E3 604.3506 2.2E3 615.3496 4.6E4 616.3531 6.5E4 617.3557 6.7E4 618.3610 1.0E4 619.3687 1.8E3 620.3707 2.8E3 622.3499 3.6E3 629.3653 2.0E4 630.3686 3.2E4 631.3713 4.5E4 632.3443 1.0E4 632.3719 3.8E3 633.3461 3.5E3 634.3242 3.5E3 635.3272 2.8E3 636.3287 5.2E3 646.3595 5.4E4 647.3629 9.5E4 648.1835 1.7E3 648.3657 1.5E5 649.3423 2.3E3 649.3682 2.4E4 664.3690 8.5E3 665.3724 8.4E3 666.3759 1.5E4 686.2625 2.4E3 701.3336 2.9E3 703.3817 2.6E3 703.5458 1.8E3 707.3660 1.9E3 716.2001 1.5E3 717.3964 1.1E4 718.3996 1.1E4 719.4035 1.6E4 727.3491 3.4E3 749.4138 5.6E3 753.8649 1.9E3 786.8972 2.2E3 787.3934 2.5E3 790.4434 2.7E3 792.4554 4.5E3 800.4337 4.3E3 802.4398 7.4E3 803.4446 2.9E3 812.3654 7.2E3 812.4044 5.1E3 813.3654 4.9E3 814.3226 3.6E3 814.3585 7.2E3 818.4437 1.6E4 819.4476 1.3E4 820.4504 5.6E4 821.4539 1.0E4 828.3733 9.2E3 828.9141 1.6E3 837.4186 2.2E5 837.9200 2.8E5 838.4224 1.4E5 838.5663 3.9E3 838.9243 2.4E4 856.3914 1.6E5 856.9839 1.6E3 857.3524 3.7E3 857.3941 8.6E4 858.3488 2.6E4 858.3968 1.7E4 859.3509 2.6E3 870.3680 2.7E3 871.3650 3.2E3 872.3632 3.7E4 873.3669 5.8E3 1225.4711 2.3E3 1241.9402 2.0E3 1417.8419 2.2E3 1537.2896 2.5E3 1698.5582 2.4E3 END IONS BEGIN IONS FEATURE_ID=243 PEPMASS=838.3801 SCANS=243 RTINSECONDS=956.798 CHARGE=1+ MSLEVEL=2 231.1129 1.3E3 245.1281 2.7E3 273.1223 2.4E3 295.1104 3.1E3 314.1492 1.0E3 330.1802 6.2E3 337.1209 1.2E5 338.1243 5.7E3 355.1967 3.2E3 378.1473 1.6E4 383.1920 1.1E3 401.2173 3.7E3 431.2285 1.7E3 456.1942 6.7E3 474.2694 1.2E3 477.2157 2.6E3 484.1891 2.4E4 484.2543 2.5E3 485.1923 1.3E3 502.2650 1.4E4 503.2282 3.8E3 503.2678 1.1E3 539.2311 1.0E3 541.2105 2.3E3 548.2520 2.9E3 567.2259 8.2E4 568.2291 8.0E3 585.2359 9.4E3 585.3017 4.3E3 586.2400 1.4E3 602.2959 1.7E3 621.3048 1.0E3 638.2983 6.1E3 649.2999 2.4E4 650.3025 2.3E3 666.2941 5.3E4 667.2980 7.2E3 668.2736 7.2E3 669.2750 1.1E3 673.3323 1.3E3 684.3043 1.9E3 737.3301 8.2E3 738.3341 1.4E3 739.3095 1.5E3 756.3688 1.4E3 767.3414 1.2E3 774.3803 9.7E3 775.3854 2.1E3 810.3845 3.9E3 820.3660 1.9E3 838.3777 6.2E3 END IONS BEGIN IONS FEATURE_ID=244 PEPMASS=838.3795 SCANS=244 RTINSECONDS=981.209 CHARGE=1 MSLEVEL=2 72.0813 1.5E3 84.0809 2.0E3 86.0968 1.2E4 120.0805 1.6E3 136.0755 4.0E3 162.0908 1.7E3 171.1126 2.3E3 190.0861 4.7E3 231.1125 2.3E3 245.1281 1.5E3 247.1071 2.3E3 254.1494 1.1E3 272.1597 3.1E3 273.1228 1.1E3 277.1542 1.7E3 290.1701 3.7E3 295.1104 1.8E3 301.1536 4.6E3 303.1696 3.3E4 304.1736 1.5E3 318.1800 1.1E3 319.1651 3.6E3 330.1804 9.0E3 337.1208 4.8E4 338.1233 2.8E3 342.1801 3.1E3 345.2134 1.9E3 346.1750 4.3E3 355.1965 3.5E3 360.1909 2.1E4 373.2076 4.8E3 378.1475 8.7E3 401.2021 2.4E3 401.2176 3.0E3 417.2122 1.7E3 431.2285 1.2E3 431.2644 1.5E3 435.2226 1.1E3 438.2373 2.4E3 441.2483 1.0E3 448.2217 2.8E3 456.1946 2.8E3 459.2597 3.3E3 466.2329 1.5E4 467.2361 1.0E3 477.2156 2.1E3 484.1888 1.1E4 484.2541 1.3E3 485.1909 1.0E3 502.2646 1.0E4 503.2288 1.3E3 518.2599 2.3E3 520.2752 1.1E4 521.2767 1.1E3 530.2957 2.3E3 531.2589 1.1E4 536.2703 8.3E3 541.2100 1.6E3 548.3065 1.1E3 549.2695 3.2E4 550.2720 3.9E3 557.2445 1.1E3 567.2256 4.2E4 567.2792 3.3E3 568.2292 3.8E3 585.2364 5.2E3 585.3013 2.8E3 602.2954 1.1E3 602.3315 1.2E3 603.3480 1.0E3 613.3328 1.9E3 620.3429 2.9E3 621.3572 1.3E3 630.3265 7.0E3 631.3436 1.7E4 638.2994 3.7E3 648.3378 2.2E4 649.2998 1.7E4 649.3545 2.7E4 650.3022 1.9E3 650.3561 2.2E3 666.2944 2.5E4 667.2980 3.6E3 668.2741 3.3E3 668.3263 1.5E3 701.3633 1.6E3 719.3743 4.4E3 737.3314 3.6E3 737.3832 1.2E3 739.3633 1.7E3 767.3956 2.1E3 774.3808 3.9E3 792.4266 1.9E3 802.4119 2.1E3 810.3831 1.1E3 810.4376 2.6E3 820.4225 1.6E4 821.4248 3.1E3 838.3773 3.1E3 838.4327 6.7E3 839.4348 1.3E3 END IONS BEGIN IONS FEATURE_ID=245 PEPMASS=838.4334 SCANS=245 RTINSECONDS=993.354 CHARGE=1 MSLEVEL=2 84.0811 1.5E3 86.0968 2.3E3 91.5081 1.9E3 120.0806 3.1E3 136.0755 1.5E3 162.0910 1.9E3 171.1126 2.3E3 190.0859 9.3E3 231.1123 4.5E3 245.1281 2.8E3 267.1153 1.7E3 272.1596 2.5E3 273.1227 3.0E3 277.1537 1.5E3 290.1706 1.8E3 295.1105 2.5E3 301.1540 6.9E3 303.1692 8.5E3 319.1646 3.1E3 330.1807 1.5E4 337.1209 9.6E4 338.1245 4.8E3 342.1797 4.3E3 355.1970 3.5E3 360.1907 5.2E3 373.2075 3.0E3 378.1472 1.8E4 379.1497 1.2E3 401.2024 2.2E3 401.2173 5.7E3 413.2180 1.2E3 431.2282 1.8E3 441.2486 1.7E3 448.2218 4.4E3 456.1941 4.6E3 459.2593 1.3E3 466.2327 7.9E3 474.2709 1.5E3 477.2157 4.4E3 479.1947 1.7E3 484.1891 2.4E4 484.2543 2.8E3 485.1936 2.8E3 492.2803 1.5E3 502.2650 1.8E4 503.2281 3.0E3 503.2676 1.1E3 520.2756 1.6E4 521.2807 1.1E3 531.2589 1.4E4 536.2708 1.8E3 539.2302 1.1E3 541.2106 3.1E3 548.2520 2.6E3 549.2697 1.2E4 550.2731 1.3E3 557.2423 1.1E3 567.2259 8.8E4 568.2292 9.7E3 578.2645 1.0E3 585.2361 8.5E3 585.3016 7.5E3 586.2405 1.0E3 602.2955 1.1E3 613.3330 1.8E3 630.3271 8.8E3 631.3442 1.8E4 632.3472 2.0E3 638.2997 5.1E3 648.3375 1.0E4 649.2998 3.1E4 649.3547 1.4E4 650.3020 3.4E3 650.3576 1.1E3 666.2942 5.3E4 667.2975 7.3E3 668.2725 5.4E3 684.3049 1.9E3 701.3643 1.4E3 719.3734 1.8E3 737.3315 6.4E3 738.3340 1.2E3 739.3099 1.5E3 774.3806 8.4E3 775.3820 1.3E3 792.4279 2.1E3 802.4114 2.6E3 810.3839 2.7E3 810.4376 1.4E3 820.4223 1.8E4 821.4239 3.2E3 838.3790 5.2E3 838.4335 4.2E3 END IONS BEGIN IONS FEATURE_ID=246 PEPMASS=838.4336 SCANS=246 RTINSECONDS=1022.826 CHARGE=1+ MSLEVEL=2 86.0967 5.7E3 91.5062 1.5E3 136.0756 1.1E3 247.1075 1.2E3 272.1599 1.6E3 290.1705 1.1E3 303.1700 1.9E4 304.1733 1.1E3 337.1208 1.2E4 346.1755 2.5E3 360.1910 9.7E3 373.2073 2.0E3 378.1472 2.4E3 459.2604 1.7E3 466.2333 6.1E3 484.1893 3.5E3 502.2650 1.6E3 517.2465 1.4E3 518.2592 1.3E3 530.2958 1.3E3 536.2706 4.6E3 549.2700 1.7E4 550.2731 1.7E3 567.2258 1.1E4 567.2799 2.4E3 585.2371 1.3E3 616.3140 1.5E3 620.3435 1.8E3 631.3442 1.3E3 648.3378 1.3E4 649.3015 3.7E3 649.3554 1.1E4 650.3568 1.2E3 666.2949 6.9E3 668.3279 1.5E3 719.3748 2.4E3 737.3859 1.0E3 774.3807 1.2E3 810.4373 1.7E3 820.4231 2.2E3 838.3867 1.1E3 838.4326 3.9E3 END IONS BEGIN IONS FEATURE_ID=247 PEPMASS=838.4339 SCANS=247 RTINSECONDS=1043.746 CHARGE=1+ MSLEVEL=2 86.0968 1.5E3 91.5083 1.0E3 287.1414 1.1E3 303.1702 5.5E3 330.1805 1.2E3 337.1209 9.3E3 344.1960 2.5E3 378.1474 2.1E3 434.2103 1.2E3 450.2381 3.4E3 484.1895 2.1E3 502.2650 1.2E3 517.2465 2.0E3 533.2751 3.6E3 549.2697 2.1E3 551.2855 1.0E3 567.2261 7.7E3 616.3145 1.6E3 632.3428 4.5E3 648.3375 1.3E3 649.3005 3.2E3 649.3575 2.0E3 666.2948 5.0E3 820.4240 4.2E3 838.4334 2.4E3 END IONS BEGIN IONS FEATURE_ID=248 PEPMASS=838.4335 SCANS=248 RTINSECONDS=1083.291 CHARGE=1+ MSLEVEL=2 58.3326 5.3E3 61.3927 5.5E3 63.0594 5.9E3 65.8477 5.4E3 69.7474 5.5E3 69.9173 5.7E3 72.0812 2.1E4 75.8772 5.2E3 82.8519 6.7E3 84.9869 6.9E3 86.0968 4.3E5 86.9901 6.0E3 87.7190 7.0E3 91.5060 1.5E4 96.1638 6.4E3 96.2243 6.2E3 99.3337 6.5E3 99.5989 5.7E3 102.6494 7.1E3 102.8704 5.9E3 103.9055 6.6E3 110.8315 5.6E3 112.6370 5.5E3 120.0808 1.0E5 122.2373 6.5E3 126.2937 6.4E3 129.1516 6.8E3 132.0079 7.2E3 133.8755 7.4E3 155.0589 5.9E3 159.0493 7.9E3 161.0632 7.0E3 171.0759 1.1E4 183.1125 8.9E3 187.1075 3.8E4 187.5544 6.2E3 189.0867 9.5E3 199.5163 7.2E3 207.0975 2.0E4 209.7500 6.5E3 227.2263 8.1E3 231.1124 8.1E4 233.1643 2.3E4 246.7168 6.3E3 249.1225 6.4E3 261.1593 2.2E4 262.1389 8.8E3 270.1443 4.9E4 275.1747 1.9E4 277.1537 1.3E4 285.1581 1.1E4 288.1546 2.5E4 302.1857 1.7E4 302.2909 7.7E3 303.1699 1.2E6 304.1731 4.1E4 306.1649 3.9E4 319.1642 7.5E3 321.6931 8.7E3 322.4228 6.0E3 325.1860 1.2E4 327.4602 6.4E3 330.1804 1.6E5 331.4812 7.7E3 339.3363 6.7E3 343.1968 1.7E4 344.1963 6.5E5 345.1997 2.6E4 353.1811 1.5E4 358.1758 7.3E3 361.2076 2.6E4 362.2071 1.1E4 371.1920 4.3E4 389.2024 7.0E4 399.2030 1.9E4 415.2698 3.2E4 417.1970 2.6E4 417.2123 5.8E4 422.2431 5.9E4 433.2796 7.0E3 435.2242 8.6E3 437.2025 1.2E4 443.2647 1.3E5 444.2669 1.3E4 449.8571 7.5E3 450.2379 2.9E5 450.3268 8.1E3 451.2414 2.5E4 456.2624 6.7E3 463.2538 9.4E3 484.2925 7.8E3 500.2488 3.1E4 507.2598 1.9E4 508.2758 3.1E4 512.2867 1.1E4 515.2477 1.1E4 515.2662 1.1E4 518.2605 5.9E4 530.2959 6.7E4 533.2748 1.1E6 534.2780 1.1E5 536.2705 2.7E5 536.5038 6.5E3 537.2741 2.4E4 549.2698 4.0E4 550.2866 2.4E4 551.2855 7.4E4 552.2890 8.9E3 564.2651 1.8E4 567.2801 7.3E3 586.3229 8.0E3 604.3481 7.4E4 606.3279 1.2E4 613.3342 3.4E4 614.3168 9.2E3 621.3586 5.5E4 631.3435 7.8E4 632.3430 5.4E5 633.3460 6.5E4 648.3381 2.1E4 649.3544 6.1E5 650.3564 7.2E4 652.3331 4.2E4 701.3638 3.1E4 713.7114 9.3E3 719.3751 8.7E4 720.3801 1.1E4 737.3848 1.2E4 739.3672 4.3E4 740.3667 8.0E3 751.4009 2.4E4 759.0005 7.0E3 792.4277 1.5E4 793.4119 1.9E4 802.4113 8.4E4 803.4163 1.3E4 810.4385 7.8E4 820.4229 1.1E5 821.4253 1.2E4 838.4332 1.8E5 839.4313 1.0E4 839.4678 3.7E4 840.0715 7.6E3 END IONS BEGIN IONS FEATURE_ID=249 PEPMASS=838.4472 SCANS=249 RTINSECONDS=773.36 CHARGE=1+ MSLEVEL=2 91.5081 1.4E3 230.1136 1.2E3 337.2235 1.7E3 365.2176 5.5E3 577.2965 1.7E3 594.3232 2.7E4 595.3269 2.7E3 609.3387 9.6E3 610.3427 1.2E3 821.4206 1.3E3 838.4444 3.0E4 839.4476 5.3E3 END IONS BEGIN IONS FEATURE_ID=250 PEPMASS=838.4467 SCANS=250 RTINSECONDS=779.445 CHARGE=1+ MSLEVEL=2 91.5081 1.4E3 230.1136 1.2E3 337.2235 1.7E3 365.2176 5.5E3 577.2965 1.7E3 594.3232 2.7E4 595.3269 2.7E3 609.3387 9.6E3 610.3427 1.2E3 821.4206 1.3E3 838.4444 3.0E4 839.4476 5.3E3 END IONS BEGIN IONS FEATURE_ID=251 PEPMASS=839.4199 SCANS=251 RTINSECONDS=1206.85 CHARGE=1+ MSLEVEL=2 72.0813 1.9E3 86.0947 1.5E3 86.0969 3.5E4 120.0808 1.0E4 162.0913 1.0E3 183.1126 1.9E3 231.1124 5.4E3 233.1645 3.2E3 261.1592 3.8E3 272.1595 1.5E3 289.1386 9.1E3 290.1709 1.2E3 302.1856 1.0E3 303.1700 9.5E4 304.1731 7.7E3 326.1699 1.5E3 330.1808 1.6E4 331.1833 1.4E3 337.1208 5.1E3 338.1231 1.2E3 344.1962 5.3E4 345.1994 6.4E3 355.1975 1.2E3 358.1753 1.5E3 362.2067 1.4E3 373.2073 4.5E3 400.1715 1.2E3 401.2178 1.3E3 415.2696 3.4E3 419.2289 1.3E3 422.2428 3.4E3 443.2647 1.7E4 444.2679 1.8E3 450.2381 2.9E4 451.2411 4.9E3 462.2230 1.2E3 473.2380 1.1E3 491.2487 1.5E3 502.2644 2.6E3 514.3013 1.8E3 515.2486 1.4E3 519.2438 2.5E4 520.2472 1.8E3 520.2762 1.2E4 521.2795 1.6E3 532.3124 1.2E3 533.2750 9.6E4 534.2783 1.6E4 535.2802 3.4E3 550.3005 1.4E3 551.2314 1.1E3 551.2850 3.4E3 567.2278 3.3E3 568.2314 1.9E3 586.3226 4.0E3 604.3498 3.5E3 605.3644 1.3E3 614.3163 1.9E3 615.3480 3.0E3 632.3282 1.0E5 632.3455 2.5E4 633.3311 9.3E3 633.3588 2.5E4 634.3652 4.3E3 647.3622 1.1E3 648.3630 1.7E3 649.3007 1.1E3 649.3783 1.0E3 650.2993 2.4E3 650.3525 3.5E3 651.3004 1.1E3 666.2940 2.0E3 667.2985 1.5E3 703.3797 3.7E3 721.3901 2.8E3 723.3685 1.0E3 793.4119 5.9E3 794.4465 2.9E3 804.4293 7.5E3 821.4059 6.5E3 822.4392 1.5E4 823.4429 3.5E3 839.3813 1.9E3 839.4655 2.3E3 840.3871 4.6E3 END IONS BEGIN IONS FEATURE_ID=252 PEPMASS=839.4661 SCANS=252 RTINSECONDS=1077.348 CHARGE=1+ MSLEVEL=2 59.8200 2.3E3 61.2817 2.6E3 62.4628 2.0E3 62.6674 2.4E3 63.2432 2.0E3 65.0512 2.1E3 67.8701 2.2E3 68.9597 2.6E3 72.0810 5.2E3 74.0653 2.5E3 83.5726 2.4E3 84.3963 2.4E3 86.0965 2.3E5 86.0981 1.1E4 86.0986 8.7E3 86.7614 2.3E3 87.0999 1.1E4 100.0628 2.9E3 104.0530 3.3E3 110.5584 2.6E3 120.0653 4.2E3 120.0808 5.4E4 121.0838 4.5E3 149.5844 2.7E3 151.1840 2.8E3 155.1174 2.7E3 172.1075 3.7E3 173.1048 2.4E3 173.2744 3.0E3 183.1124 3.4E3 187.1076 1.6E4 189.0859 6.0E3 190.0853 6.0E3 190.1180 5.5E3 197.4437 2.6E3 201.1231 4.4E3 207.0977 1.2E4 226.7985 2.6E3 229.2290 3.0E3 231.1125 4.6E4 232.1157 8.9E3 233.1644 1.3E4 246.6451 2.7E3 249.1225 6.1E3 252.9548 2.8E3 261.1445 3.0E3 261.1595 2.1E4 262.1390 5.3E3 266.4967 3.1E3 268.3190 2.8E3 270.1444 2.3E4 271.1480 6.7E3 271.1755 8.8E3 272.1596 5.3E3 275.1746 1.0E4 288.1544 8.9E3 289.1578 2.5E3 289.1863 7.0E3 297.4742 2.7E3 302.1853 9.3E3 303.1700 5.5E5 304.1733 1.2E5 305.1779 3.3E3 306.1649 2.2E4 309.8121 2.9E3 319.1656 4.9E3 320.1957 3.2E3 321.1263 9.7E3 325.1867 6.0E3 330.1804 7.0E4 331.1849 1.9E4 335.1701 3.2E3 343.1966 7.9E3 344.1962 3.1E5 345.1996 7.8E4 346.2017 4.2E3 348.1913 8.0E3 353.1812 8.6E3 361.2075 1.9E4 362.1526 5.9E3 362.2074 1.1E4 366.2373 2.7E3 371.1920 2.1E4 372.1945 3.9E3 372.2238 3.2E3 373.2078 6.2E3 389.2022 3.2E4 390.2050 5.3E3 390.2342 2.1E4 399.2020 7.8E3 415.2688 1.9E4 416.2725 4.5E3 417.1972 8.8E3 417.2125 2.3E4 418.2157 8.0E3 419.2283 8.2E3 422.2429 2.6E4 423.2460 8.3E3 431.2290 5.1E3 431.8474 3.1E3 435.2242 3.4E3 437.2019 5.9E3 443.2643 4.6E4 444.2687 1.7E4 450.2380 1.9E5 451.2410 6.3E4 461.2760 5.9E3 494.2602 4.3E3 496.8146 2.6E3 500.2491 1.6E4 501.2531 6.1E3 507.2590 2.3E4 508.2758 8.3E3 509.2795 4.5E3 512.2853 4.4E3 513.2891 4.0E3 515.2490 4.2E3 515.2661 3.8E3 516.2531 5.2E3 518.2592 2.4E4 519.2629 1.1E4 519.2910 1.2E4 520.2772 3.7E3 523.2902 7.7E3 530.2971 1.9E4 531.3004 9.9E3 532.3130 9.3E3 533.2751 4.8E5 534.2782 2.3E5 535.2815 1.1E4 536.2704 1.0E5 537.2740 4.5E4 537.3029 6.4E3 548.3069 4.2E3 549.2712 9.5E3 550.2687 3.9E3 550.2869 1.0E4 551.2318 8.0E3 551.2857 8.3E4 552.2880 2.7E4 564.2661 8.3E3 565.2712 3.0E3 568.2295 2.6E3 585.3380 3.4E3 588.0326 2.6E3 604.3488 2.5E4 605.3517 1.6E4 606.3301 7.8E3 607.3455 4.4E3 613.3347 1.3E4 614.3360 9.5E3 621.3596 2.1E4 622.3628 1.2E4 631.3443 2.5E4 632.3433 3.2E5 632.3749 1.3E4 633.3460 1.4E5 634.3498 1.1E4 635.5912 2.8E3 647.8188 2.5E3 648.3380 4.2E3 649.3544 2.0E5 650.3010 8.2E3 650.3575 1.5E5 650.3870 1.4E4 651.3172 7.0E3 651.3586 1.4E4 651.3918 4.0E3 652.3337 9.5E3 653.3351 7.6E3 654.4945 2.5E3 687.7115 2.8E3 688.1019 2.8E3 697.1996 2.5E3 701.3641 6.8E3 702.3679 5.6E3 703.3772 3.3E3 719.3740 2.5E4 720.3777 2.6E4 721.3572 4.3E3 721.3914 1.4E4 734.4025 3.0E3 737.3841 3.0E3 739.3649 2.0E4 740.3686 1.5E4 741.3740 4.0E3 742.9942 2.7E3 751.4013 5.9E3 778.4139 2.9E3 802.4113 2.0E4 803.4152 2.9E4 810.4372 2.0E4 811.4426 1.8E4 820.4223 2.5E4 821.4186 1.6E4 821.4579 3.8E4 822.4586 8.1E3 832.9042 3.4E3 838.4333 4.4E4 839.4675 1.7E5 840.3912 5.2E3 840.4696 3.7E4 END IONS BEGIN IONS FEATURE_ID=253 PEPMASS=839.4661 SCANS=253 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 59.3125 3.4E3 60.3990 3.0E3 61.9837 3.3E3 63.3839 2.8E3 69.4765 2.8E3 70.3175 2.9E3 72.0813 2.8E3 77.1867 2.7E3 78.5343 3.1E3 79.0379 3.0E3 79.6062 2.7E3 82.6078 3.3E3 85.1675 3.2E3 86.0953 5.9E3 86.0969 3.5E4 87.1004 3.2E3 92.1494 2.9E3 94.7169 2.9E3 100.6740 3.6E3 104.0534 5.0E3 108.6438 3.2E3 116.5100 3.1E3 118.1174 2.9E3 120.0806 1.7E4 155.7540 3.4E3 157.8331 3.6E3 171.1126 3.1E3 172.1079 4.6E3 186.7781 3.2E3 188.8660 2.9E3 190.1185 1.3E4 204.0886 3.9E3 231.1129 1.2E4 249.1237 4.7E3 271.1760 5.9E3 272.1599 1.4E4 275.1749 3.7E3 289.1861 2.0E4 293.3329 3.3E3 303.1698 1.9E5 304.1734 2.5E4 319.1651 3.4E3 320.1966 6.7E3 321.1259 2.1E4 325.1786 3.4E3 330.1809 2.5E4 331.9690 4.1E3 344.1960 7.0E4 345.2000 1.1E4 347.1917 4.0E3 348.1901 6.7E3 362.1530 1.2E4 362.2072 1.9E4 373.2081 1.0E4 389.2544 4.4E3 390.2339 3.6E4 391.2383 4.9E3 399.6643 3.3E3 401.2190 5.3E3 415.2697 3.8E3 417.2135 4.4E3 419.2275 2.7E4 422.2427 1.8E4 433.2802 6.2E3 436.9244 4.1E3 443.2646 2.5E4 444.2684 4.1E3 450.2379 2.0E5 451.2415 1.9E4 460.0566 3.7E3 461.2753 1.2E4 468.1949 8.6E3 476.2494 3.8E3 494.2607 1.3E4 502.2650 3.6E3 504.3187 4.5E3 505.2795 5.3E3 507.2596 3.0E4 514.3023 1.3E4 519.2920 1.2E4 520.2772 9.2E3 523.2901 8.5E3 532.3126 1.6E4 533.2749 2.8E5 534.2783 4.5E4 536.2717 1.3E4 537.2767 6.3E3 537.3032 2.3E4 549.2706 4.4E3 551.2318 2.6E4 551.2855 1.7E5 552.2881 2.4E4 604.3496 7.4E3 605.3492 3.4E3 606.3272 1.7E4 607.3448 1.7E4 608.3452 4.3E3 621.3583 4.5E3 631.3433 4.7E3 632.3433 4.1E5 632.3742 1.3E4 633.3439 5.2E4 635.5066 3.8E3 639.1583 4.0E3 649.3544 3.2E4 650.3002 1.3E4 650.3552 8.2E4 650.3868 3.1E4 651.3160 7.4E3 651.3581 7.2E3 703.3805 8.8E3 721.3904 3.2E4 722.3963 6.0E3 738.4426 3.7E3 778.4125 3.6E3 803.4130 5.3E3 821.4559 6.2E4 839.4650 5.7E5 840.3880 5.2E3 840.4683 9.6E4 END IONS BEGIN IONS FEATURE_ID=254 PEPMASS=840.3947 SCANS=254 RTINSECONDS=1085.239 CHARGE=1+ MSLEVEL=2 59.0453 2.5E3 59.1189 3.1E3 60.8329 2.8E3 61.1277 2.6E3 65.7206 2.9E3 66.1240 2.6E3 67.0632 2.5E3 68.2430 3.0E3 70.8528 3.1E3 72.0813 4.9E3 76.7718 3.2E3 77.3973 3.3E3 79.7459 2.8E3 80.2249 2.9E3 82.1761 3.0E3 85.6047 3.1E3 86.0968 1.3E5 87.1001 1.3E4 93.8813 2.9E3 96.1950 2.9E3 99.3225 2.9E3 102.1552 3.6E3 104.0533 5.0E4 109.7339 3.1E3 112.4862 3.5E3 114.5068 3.1E3 118.7620 3.0E3 119.7003 3.0E3 120.0654 2.9E3 120.0781 5.0E3 120.0807 5.0E4 121.0714 3.5E3 121.0841 1.4E4 124.9752 2.9E3 134.0437 3.4E3 137.1336 2.8E3 141.2341 3.1E3 162.0906 3.0E3 171.1127 9.1E3 172.1084 3.2E3 187.1073 8.6E3 198.0631 2.9E3 201.1224 3.0E3 201.9745 3.2E3 204.1309 3.0E3 207.0976 9.4E3 209.9951 3.1E3 231.1122 2.0E4 232.1158 9.8E3 233.1646 4.3E3 234.1674 4.9E3 236.4695 3.1E3 252.1750 3.0E3 253.2703 3.2E3 261.1596 5.5E3 262.1386 3.1E3 262.1626 4.3E3 270.1445 1.2E4 270.7307 3.8E3 271.1475 5.0E3 272.1599 1.1E4 275.1734 5.4E3 276.1778 3.5E3 277.1539 4.4E3 288.1544 6.1E3 290.1706 5.8E3 302.1865 8.8E3 303.1699 2.5E5 304.1730 1.5E5 305.1771 1.8E4 306.1655 6.1E3 307.1678 4.1E3 321.1263 7.3E4 322.1297 5.7E3 330.1806 4.2E4 331.1839 2.7E4 332.1873 4.7E3 344.1960 1.3E5 345.1996 9.9E4 346.2029 1.2E4 352.1497 3.0E3 353.1814 4.8E3 354.1854 3.9E3 361.2070 7.1E3 362.1523 6.4E4 362.2084 9.1E3 365.6296 3.1E3 371.1917 1.3E4 372.1958 5.1E3 373.2077 9.3E3 389.2024 1.3E4 390.2045 1.2E4 390.2337 5.9E3 390.6179 3.7E3 416.2728 5.5E3 417.2120 1.2E4 418.1999 2.9E3 418.2161 1.2E4 422.2438 8.1E3 423.2465 7.9E3 425.0358 3.4E3 443.2642 2.0E4 444.2683 2.7E4 445.2708 4.6E3 450.2381 7.4E4 451.2409 7.0E4 452.2447 1.3E4 459.7482 3.1E3 461.2206 1.1E4 468.1945 2.2E4 495.2687 3.1E3 500.2491 6.0E3 501.2511 5.7E3 502.2657 4.9E3 507.2587 7.8E3 508.2632 3.4E3 509.2788 7.1E3 515.2678 4.3E3 518.2590 3.9E3 519.2618 1.0E4 520.2757 2.1E4 530.2965 3.6E3 531.2997 1.1E4 532.2582 6.4E3 533.2751 1.3E5 534.2782 2.2E5 535.2812 7.4E4 536.2700 3.2E4 537.2734 5.0E4 538.2769 1.6E4 550.2725 1.1E4 551.2313 9.4E4 551.2861 2.9E4 552.2339 1.5E4 552.2883 1.8E4 553.2919 7.4E3 569.2418 1.3E4 604.3471 4.0E3 605.3525 1.2E4 606.3531 4.1E3 614.3359 1.1E4 622.3043 1.2E4 622.3608 9.8E3 623.3214 5.8E3 632.3435 1.0E5 632.3748 4.8E3 633.3044 5.4E3 633.3464 1.5E5 634.3494 3.9E4 647.3245 4.5E3 649.3561 3.1E4 650.2992 6.0E4 650.3579 1.4E5 651.3178 5.2E4 651.3586 5.6E4 652.3242 3.2E3 652.3601 4.4E3 653.3349 7.9E3 668.3096 4.0E3 670.2892 4.1E3 689.1318 4.1E3 702.3663 6.9E3 719.3746 4.6E3 720.3770 2.7E4 721.3343 6.0E3 721.3821 5.9E3 722.3926 4.6E3 739.3480 5.4E3 740.3669 1.1E4 741.3674 7.1E3 752.4033 4.2E3 758.2460 4.0E3 776.3921 5.1E3 800.1806 4.1E3 803.4163 1.9E4 804.4173 1.4E4 805.0322 3.6E3 811.4405 1.4E4 812.3998 8.0E3 812.4410 7.6E3 813.4042 4.5E3 821.4221 1.6E4 822.3823 1.0E4 822.4272 1.3E4 839.4281 3.2E4 839.4711 3.5E4 840.3891 5.9E4 840.4362 1.3E4 840.4717 3.5E4 841.3925 9.4E3 867.8016 4.1E3 END IONS BEGIN IONS FEATURE_ID=255 PEPMASS=840.4248 SCANS=255 RTINSECONDS=1354.833 CHARGE=1 MSLEVEL=2 86.0969 2.3E3 184.0735 1.5E3 303.1700 6.6E3 339.1709 1.2E3 344.1966 2.6E3 429.6773 4.0E3 430.1795 2.3E3 430.6785 1.2E3 437.1873 1.7E3 437.6880 1.7E3 450.2370 3.0E3 502.2653 1.1E3 520.2767 1.7E3 533.2753 5.1E3 534.2784 2.9E3 615.3497 1.6E3 632.3441 4.5E3 633.3624 3.1E3 634.3630 1.3E3 711.3823 2.7E3 739.3781 3.0E3 796.4356 2.0E3 805.4307 1.1E3 822.4406 1.6E3 823.4459 1.0E3 839.6009 1.1E3 840.4254 8.3E5 841.4285 1.4E5 858.3447 1.0E3 END IONS BEGIN IONS FEATURE_ID=256 PEPMASS=840.4490 SCANS=256 RTINSECONDS=1043.746 CHARGE=1+ MSLEVEL=2 62.2512 9.2E4 63.1566 8.4E4 63.1888 1.1E5 68.6138 9.2E4 69.6892 8.2E4 72.0810 1.9E5 74.2324 8.4E4 77.6392 8.1E4 77.8833 9.6E4 77.8910 7.9E4 78.4012 9.1E4 78.9061 8.6E4 81.2877 9.7E4 86.0947 1.1E5 86.0965 1.8E6 89.4998 8.7E4 90.7043 7.9E4 91.5080 3.7E5 95.7034 8.5E4 95.8052 8.6E4 98.6434 8.5E4 101.9006 1.1E5 106.4921 9.6E4 119.9884 9.0E4 120.0804 1.2E6 131.3660 8.9E4 132.9553 9.2E4 140.3259 1.1E5 144.3707 9.6E4 153.5906 9.3E4 159.0992 1.0E5 173.0913 2.1E5 173.1279 9.8E4 175.5383 1.0E5 190.0846 1.0E5 191.1021 4.4E5 201.1235 6.2E5 231.1125 4.0E5 233.1642 1.0E5 249.1224 3.7E5 252.9821 1.4E5 260.6927 1.1E5 261.1592 4.8E5 272.1597 8.7E5 275.1742 1.9E5 276.1698 3.0E5 285.8151 9.5E4 290.1702 1.2E5 293.7147 9.5E4 302.1857 1.2E5 303.1700 1.3E7 304.1736 6.9E5 318.1800 1.6E5 320.1967 2.1E5 330.1801 1.6E6 334.1894 9.2E4 334.2114 1.1E5 344.1963 5.1E6 345.2000 3.2E5 348.1906 4.5E5 361.5055 1.0E5 362.2068 1.3E6 363.2100 1.1E5 373.2078 9.3E5 389.2541 2.1E5 391.2177 7.0E5 391.2321 1.7E5 392.2210 1.3E5 401.2169 1.6E5 415.2696 4.3E5 417.2464 1.4E5 419.2280 1.4E6 422.2429 1.3E6 433.2796 3.1E5 443.2646 1.8E6 450.1609 1.1E5 450.2381 1.2E7 451.2409 8.7E5 461.2753 1.0E6 471.3026 9.8E4 504.3172 2.6E5 505.2794 3.1E5 507.2594 2.6E6 508.2625 2.8E5 514.3016 6.6E5 520.2763 5.0E5 523.2903 5.0E5 532.3120 1.1E6 533.2750 2.2E7 534.2778 2.4E6 538.2858 1.6E6 539.2917 1.7E5 539.3371 1.0E5 542.4793 1.1E5 542.5358 1.1E5 551.2853 7.3E6 552.2882 6.0E5 586.6416 1.1E5 604.3483 5.5E5 606.3271 8.8E5 607.7186 1.0E5 608.2352 1.3E5 632.3431 1.9E7 633.3450 2.1E6 650.3539 1.2E6 651.3709 3.3E6 652.3741 4.4E5 703.3809 2.7E5 721.3884 6.2E5 722.3951 1.0E5 757.7377 1.1E5 782.8680 1.1E5 822.4371 8.8E5 823.4418 1.9E5 END IONS BEGIN IONS FEATURE_ID=257 PEPMASS=840.4492 SCANS=257 RTINSECONDS=1071.111 CHARGE=1+ MSLEVEL=2 60.1496 1.4E3 60.8203 1.3E3 62.6038 1.5E3 71.9830 1.5E3 72.0812 3.7E3 76.7324 1.5E3 79.4544 1.4E3 86.0968 5.3E4 93.6049 1.4E3 106.2748 1.7E3 111.2638 1.4E3 112.4609 1.5E3 120.0757 1.3E3 120.0806 2.3E4 125.3108 1.3E3 125.7409 1.5E3 132.9288 1.4E3 141.1470 1.6E3 147.9560 2.0E3 149.6554 1.5E3 161.9424 1.8E3 167.8243 1.7E3 171.1130 2.8E3 173.0921 4.6E3 173.3772 1.8E3 178.5407 1.7E3 184.2395 1.6E3 184.6921 1.5E3 185.9720 1.4E3 186.7309 1.5E3 190.0855 1.2E3 190.1182 3.6E3 191.1027 8.9E3 201.1235 8.8E3 212.6221 1.4E3 213.4916 1.5E3 218.9461 1.4E3 221.1279 2.5E3 231.1124 8.9E3 233.1645 4.6E3 240.3594 1.5E3 249.1232 1.5E4 250.1256 1.6E3 257.7866 1.5E3 261.1592 5.6E3 272.1599 1.8E4 275.1752 4.1E3 276.1700 2.4E3 285.9831 2.0E3 289.1860 1.9E3 290.0959 1.5E3 290.1711 2.8E3 302.1867 2.2E3 303.1700 2.9E5 304.1730 1.8E4 305.9862 1.4E3 306.6639 1.7E3 318.1800 1.8E3 319.1642 1.0E4 320.1680 5.9E3 320.1962 2.7E3 330.1804 2.4E4 331.1850 3.1E3 337.1200 1.5E3 341.1155 1.5E3 344.1962 6.5E4 345.1995 7.5E3 348.1911 7.2E3 362.2070 1.5E4 369.1870 1.5E3 373.2074 1.4E4 389.2537 2.4E3 390.2329 4.3E3 391.2180 1.3E4 391.2320 2.3E3 401.2175 2.7E3 415.2699 4.4E3 417.2491 1.7E3 419.2282 2.1E4 420.2310 1.8E3 422.2432 2.5E4 423.2454 2.9E3 433.2796 4.3E3 435.2402 2.0E3 443.2641 2.1E4 444.2675 2.8E3 450.2380 2.6E5 451.2411 2.7E4 461.2750 1.1E4 485.5311 1.7E3 504.3176 3.6E3 505.2798 4.7E3 505.4759 1.5E3 507.2595 3.9E4 507.4679 1.6E3 508.2624 5.9E3 509.3683 1.7E3 514.3023 9.8E3 519.2922 4.1E3 520.2750 1.1E4 521.2793 2.1E3 523.2909 7.4E3 532.3117 1.1E4 533.2750 4.0E5 534.2786 4.8E4 537.3039 2.5E3 538.2853 2.1E4 539.2884 3.3E3 549.2720 2.7E3 550.2731 6.5E3 551.2855 1.5E5 552.2892 2.1E4 604.3492 1.2E4 605.3511 2.6E3 606.3273 1.5E4 607.3337 1.7E3 622.3581 3.8E3 623.3578 1.6E3 632.3433 3.8E5 633.3459 6.2E4 634.3623 6.5E3 635.3667 2.3E3 648.1812 1.9E3 649.3434 3.5E3 650.3538 2.6E4 650.3845 2.9E3 651.3707 4.5E4 652.3730 4.4E3 703.3800 1.2E4 721.3900 1.9E4 722.3938 6.2E3 755.3981 1.6E3 759.4052 1.8E3 776.3950 3.5E3 795.4119 2.2E3 796.4178 2.0E3 821.4555 5.9E3 822.4333 1.7E4 823.4409 4.4E3 829.7916 2.0E3 839.4656 3.2E4 840.4686 3.0E4 END IONS BEGIN IONS FEATURE_ID=258 PEPMASS=840.4666 SCANS=258 RTINSECONDS=1059.443 CHARGE=1+ MSLEVEL=2 60.7132 2.6E3 66.7550 2.4E3 66.9189 2.4E3 70.0258 2.4E3 71.1782 2.4E3 74.8802 2.3E3 84.0981 2.6E3 84.3530 3.0E3 86.0948 3.1E3 86.0965 3.6E4 86.5186 2.5E3 87.0661 2.5E3 96.1471 2.5E3 97.7913 2.9E3 113.9674 2.9E3 114.1861 3.2E3 117.0951 2.9E3 117.2202 2.3E3 119.5559 2.7E3 120.0806 2.4E4 122.9899 2.6E3 133.0323 2.8E3 142.9716 2.5E3 144.5501 2.6E3 162.0898 3.7E3 163.9875 3.0E3 173.0914 5.9E3 177.3404 2.7E3 190.1180 9.1E3 191.1018 8.7E3 197.5174 2.7E3 201.1230 1.1E4 219.2382 2.8E3 221.1288 4.0E3 225.1848 2.7E3 231.1124 1.1E4 233.1636 3.6E3 236.7109 2.6E3 241.3832 2.7E3 249.1225 1.2E4 249.1404 2.7E3 261.1585 8.1E3 269.2869 2.8E3 271.1759 6.4E3 272.1603 2.6E4 276.1693 3.8E3 287.7466 2.8E3 289.1860 3.7E3 290.1696 3.2E3 290.6946 2.8E3 303.1700 2.7E5 304.1737 1.4E4 318.1806 5.1E3 320.1955 4.7E3 330.1808 3.5E4 334.2111 3.9E3 344.1962 1.2E5 345.1994 9.6E3 348.1908 9.6E3 362.2072 2.3E4 373.2071 1.2E4 389.2543 5.0E3 390.2337 1.5E4 391.2173 1.5E4 391.2346 3.2E3 397.1156 3.1E3 401.2176 6.5E3 407.5685 2.6E3 415.2707 5.4E3 417.2483 6.3E3 419.2284 2.9E4 420.2317 3.1E3 422.2433 2.8E4 433.2799 7.9E3 442.0903 3.1E3 443.2649 2.9E4 443.5885 2.6E3 450.2381 2.6E5 451.2418 3.5E4 461.2744 1.8E4 462.2789 5.4E3 502.8209 3.1E3 504.3175 5.2E3 505.2790 2.7E3 507.2595 5.4E4 508.2625 9.4E3 514.3015 9.6E3 519.2919 5.5E3 520.2765 5.4E3 523.2907 1.2E4 532.3132 2.0E4 533.2751 4.4E5 534.2783 6.2E4 537.3023 1.2E4 538.2863 2.8E4 539.2905 4.4E3 542.2508 2.9E3 551.2855 1.6E5 552.2886 3.2E4 604.3494 7.4E3 606.3270 1.3E4 607.3303 4.7E3 608.3511 3.0E3 625.8734 3.0E3 632.3434 4.1E5 633.3466 9.5E4 650.3537 4.0E4 650.3853 1.2E4 651.3705 6.1E4 652.3749 1.4E4 703.3806 1.1E4 721.3904 1.8E4 722.3955 1.1E4 821.4548 1.1E4 822.4406 1.2E4 839.4649 9.5E4 840.4685 1.1E5 841.4704 6.7E3 END IONS BEGIN IONS FEATURE_ID=259 PEPMASS=841.4117 SCANS=259 RTINSECONDS=1148.834 CHARGE=2+ MSLEVEL=2 120.0806 9.5E3 121.0835 1.5E3 126.1750 1.9E3 133.6718 1.8E3 137.0398 2.2E3 143.4164 1.7E3 144.5344 1.7E3 145.9924 2.0E3 150.2501 1.7E3 164.6498 1.8E3 165.0950 1.9E3 169.1208 2.1E3 170.1908 2.0E3 171.0177 2.0E3 171.1124 4.4E3 173.0918 2.2E3 174.0339 1.9E3 174.4076 2.0E3 182.1933 2.3E3 183.1602 2.1E3 185.1260 2.2E3 189.7453 1.9E3 195.0513 2.0E3 199.0686 2.2E3 207.1665 2.0E3 208.4572 2.3E3 209.8587 2.1E3 210.0683 2.3E3 223.3399 2.1E3 231.1122 3.6E3 235.6996 2.5E3 239.8909 2.2E3 241.3995 2.2E3 244.0691 2.2E3 247.9767 2.3E3 252.7298 2.4E3 264.3918 2.2E3 272.1600 5.9E3 273.1634 3.2E3 290.1707 7.4E3 299.3690 2.3E3 302.1859 3.1E3 303.1699 8.2E4 303.1898 2.8E3 304.1733 4.5E4 305.1762 1.4E4 309.7597 2.3E3 319.0191 2.4E3 328.1862 3.0E3 330.1813 1.1E4 330.4296 2.9E3 331.1845 5.3E3 335.1569 8.9E3 344.1965 3.3E4 344.6552 5.1E3 345.2000 2.4E4 346.2037 5.7E3 357.1597 2.8E3 357.1705 1.2E4 357.6719 4.4E3 363.2408 2.5E3 373.2077 1.7E4 374.2112 1.1E4 380.1726 2.3E4 380.6735 6.9E3 381.1762 2.9E3 399.6960 1.6E4 400.1978 5.3E3 400.8167 2.9E3 401.2174 6.2E3 421.6888 3.7E3 422.2434 3.8E3 423.2471 8.0E3 430.6966 4.2E5 431.1983 1.9E5 431.6998 3.3E4 443.2644 7.3E3 444.2685 6.5E3 449.1660 4.0E3 450.2385 4.5E4 451.2415 4.7E4 452.2448 2.8E4 460.0046 3.2E3 482.7446 2.6E3 488.3530 2.8E3 502.2656 7.6E3 503.2694 7.9E3 504.2724 5.5E3 512.2773 2.8E3 514.3024 5.1E3 520.2764 4.8E4 521.2796 6.3E4 522.2827 4.4E4 533.2753 8.3E4 534.2786 1.1E5 535.2817 8.3E4 536.2836 6.3E3 541.0913 2.6E3 551.2863 9.7E3 552.2890 1.4E4 553.2914 1.4E4 604.3490 7.2E3 605.3528 4.1E3 607.3309 2.7E3 615.3491 5.5E3 616.3524 1.1E4 617.3561 9.1E3 632.3438 7.6E4 633.3474 7.9E4 633.3599 5.7E4 634.3497 9.3E4 634.3637 8.1E4 635.3671 1.5E5 636.3687 2.3E4 647.4136 3.0E3 650.3539 7.0E3 651.3572 1.6E4 652.3592 2.5E4 653.3373 4.2E3 654.3387 3.6E3 666.9921 3.1E3 687.3161 1.3E4 688.3207 4.3E3 703.3802 6.2E3 704.3837 1.1E4 705.3866 2.3E4 713.3331 3.4E3 721.3909 4.2E3 722.3938 1.2E4 723.3699 4.9E3 723.3981 2.8E4 724.4028 4.1E3 725.3781 6.1E3 751.4035 4.3E3 753.4086 9.6E3 757.4282 3.2E3 772.3353 7.3E3 778.4396 3.0E3 779.4257 4.9E3 794.4456 4.8E3 795.4479 1.1E4 796.4511 2.9E4 797.4515 6.1E3 798.3503 7.0E3 804.4283 1.3E4 805.4331 1.9E4 806.4348 7.9E4 807.4371 1.7E4 816.3596 2.5E5 817.3629 1.3E5 818.3658 2.4E4 822.4390 6.3E4 823.4421 7.6E4 824.4451 3.1E5 825.4471 6.4E4 832.9088 5.9E3 841.4134 4.0E5 841.9146 5.0E5 842.4153 2.7E5 842.9171 3.5E4 860.3862 1.7E5 861.3893 7.2E4 862.3940 1.7E4 890.4886 3.3E3 903.2911 4.3E3 1105.5902 3.5E3 1159.0477 3.5E3 1224.8625 4.0E3 1526.0809 3.3E3 1590.3546 3.7E3 1594.5885 4.0E3 END IONS BEGIN IONS FEATURE_ID=260 PEPMASS=841.9131 SCANS=260 RTINSECONDS=1148.834 CHARGE=1 MSLEVEL=2 60.5685 8.6E3 62.6277 8.9E3 63.4947 8.1E3 65.1080 1.0E4 66.8185 9.2E3 67.7957 1.0E4 74.9456 8.7E3 78.3460 1.0E4 84.0767 1.1E4 86.0969 1.9E5 87.0999 3.5E4 91.5082 2.7E4 94.2041 1.0E4 105.5679 1.2E4 106.4697 1.0E4 109.4088 1.3E4 118.4685 9.8E3 120.0807 7.4E4 120.9964 1.1E4 139.9279 1.2E4 156.8018 1.1E4 171.1125 2.5E4 174.1927 1.2E4 176.4801 1.0E4 195.9115 1.2E4 197.4761 1.1E4 199.9764 1.2E4 204.0284 1.3E4 218.4058 1.2E4 231.1123 3.5E4 246.1437 1.1E4 250.5737 1.3E4 272.1598 4.4E4 272.4954 1.0E4 273.1629 2.1E4 274.1666 1.5E4 290.1700 4.8E4 290.2393 1.1E4 302.1845 1.4E4 303.1699 5.7E5 304.1730 3.3E5 305.1769 8.1E4 307.3705 1.3E4 330.1805 6.8E4 330.2728 1.1E4 330.7297 1.2E4 331.1842 3.3E4 332.1853 1.4E4 335.1565 3.6E4 336.1567 1.1E4 344.1960 1.8E5 345.1996 1.6E5 345.2116 2.0E4 346.2035 5.6E4 351.3144 1.2E4 355.1963 2.3E4 356.2012 1.1E4 357.1691 7.1E4 357.6721 3.2E4 358.1729 1.4E4 362.2068 1.2E4 367.5229 1.2E4 373.2075 8.6E4 374.2117 4.2E4 376.6848 1.0E4 380.1726 1.3E5 380.6742 3.0E4 381.1765 1.3E4 394.4341 1.3E4 399.6953 8.8E4 400.1973 3.2E4 400.6993 1.5E4 401.2025 2.8E4 401.2165 2.0E4 408.6850 1.0E4 416.2685 1.0E4 420.2324 1.4E4 421.6909 1.5E4 422.1920 1.5E4 422.2428 3.0E4 423.2471 2.8E4 430.6964 2.5E6 431.1978 1.2E6 431.6990 2.5E5 432.2007 1.5E4 443.2633 4.3E4 444.2681 3.5E4 445.2711 3.0E4 450.2380 1.5E5 451.2417 1.8E5 452.2438 1.2E5 492.2796 2.1E4 502.2657 4.1E4 503.2690 3.5E4 504.2713 2.2E4 514.3021 2.1E4 515.3033 2.4E4 516.3076 1.7E4 520.2762 1.5E5 521.2791 1.9E5 522.2819 1.5E5 533.2748 3.1E5 534.2781 4.0E5 535.2812 3.9E5 536.2840 4.4E4 551.2847 3.2E4 552.2894 6.6E4 553.2915 5.4E4 604.3478 4.3E4 605.3523 2.2E4 606.3538 1.4E4 607.3683 1.7E4 608.3325 1.4E4 615.3488 3.4E4 616.3533 1.5E4 617.3547 5.7E4 632.3429 1.9E5 633.3470 2.2E5 634.3499 3.4E5 634.3631 2.6E5 635.3665 4.7E5 635.4563 1.4E4 636.3686 7.0E4 642.2969 1.4E4 646.2786 1.4E4 648.3034 1.3E4 651.3564 2.6E4 651.6252 1.4E4 652.3589 6.1E4 653.3350 2.2E4 654.3397 1.9E4 670.2906 1.2E4 680.6982 1.2E4 687.3156 5.7E4 703.3805 4.3E4 704.3837 4.5E4 705.3863 8.0E4 722.3940 3.0E4 723.3977 3.5E4 725.3765 3.1E4 753.4072 2.5E4 759.3400 1.4E4 779.4233 1.5E4 780.3154 1.3E4 795.4441 1.3E4 796.4492 9.6E4 797.4536 2.1E4 798.3486 1.7E4 804.4295 1.7E4 805.4305 4.8E4 806.4342 1.9E5 807.4343 2.0E4 816.3592 5.9E5 817.3622 2.6E5 818.3668 5.8E4 822.4382 7.7E4 823.4414 1.1E5 824.4442 5.3E5 825.4474 9.0E4 841.4117 4.3E5 841.9141 5.2E5 842.4139 2.5E5 842.9180 5.3E4 860.3860 1.8E5 861.3876 9.3E4 END IONS BEGIN IONS FEATURE_ID=261 PEPMASS=842.4037 SCANS=261 RTINSECONDS=1195.29 CHARGE=1 MSLEVEL=2 86.0969 1.3E3 303.1697 2.2E3 304.1729 2.3E3 345.2003 1.0E3 380.1727 1.0E3 430.6963 6.9E3 431.1974 5.6E3 431.6995 1.6E3 450.2385 1.2E3 451.2415 1.7E3 521.2803 1.4E3 522.2805 1.3E3 533.2760 1.3E3 534.2766 3.0E3 535.2813 2.3E3 633.3451 2.7E3 634.3461 2.6E3 635.3671 3.1E3 636.3676 1.2E3 816.3605 1.5E3 824.4431 3.5E3 825.4476 1.2E3 841.9155 1.9E3 842.4044 3.0E5 843.4074 5.1E4 END IONS BEGIN IONS FEATURE_ID=262 PEPMASS=842.4042 SCANS=262 RTINSECONDS=1230.231 CHARGE=1+ MSLEVEL=2 184.0733 1.1E3 303.1701 1.9E3 534.2797 1.6E3 713.3607 2.6E3 741.3561 2.2E3 798.4126 1.2E3 841.3952 1.1E3 842.4045 5.9E5 843.4077 9.9E4 END IONS BEGIN IONS FEATURE_ID=263 PEPMASS=842.4052 SCANS=263 RTINSECONDS=1197.227 CHARGE=1 MSLEVEL=2 86.0969 1.3E3 303.1697 2.2E3 304.1729 2.3E3 345.2003 1.0E3 380.1727 1.0E3 430.6963 6.9E3 431.1974 5.6E3 431.6995 1.6E3 450.2385 1.2E3 451.2415 1.7E3 521.2803 1.4E3 522.2805 1.3E3 533.2760 1.3E3 534.2766 3.0E3 535.2813 2.3E3 633.3451 2.7E3 634.3461 2.6E3 635.3671 3.1E3 636.3676 1.2E3 816.3605 1.5E3 824.4431 3.5E3 825.4476 1.2E3 841.9155 1.9E3 842.4044 3.0E5 843.4074 5.1E4 END IONS BEGIN IONS FEATURE_ID=264 PEPMASS=842.4056 SCANS=264 RTINSECONDS=1241.738 CHARGE=1+ MSLEVEL=2 184.0733 1.1E3 303.1701 1.9E3 534.2797 1.6E3 713.3607 2.6E3 741.3561 2.2E3 798.4126 1.2E3 841.3952 1.1E3 842.4045 5.9E5 843.4077 9.9E4 END IONS BEGIN IONS FEATURE_ID=265 PEPMASS=842.4055 SCANS=265 RTINSECONDS=1283.125 CHARGE=1+ MSLEVEL=2 184.0731 1.4E3 303.1693 1.1E3 798.4142 1.2E3 841.6067 1.1E3 842.3821 2.9E5 843.3848 4.6E4 END IONS BEGIN IONS FEATURE_ID=266 PEPMASS=842.4781 SCANS=266 RTINSECONDS=1300.726 CHARGE=1 MSLEVEL=2 86.0967 5.4E3 91.5081 2.9E3 120.0809 3.9E3 122.0391 1.1E3 184.0731 1.7E3 193.1330 4.5E3 201.1232 1.0E3 229.1540 2.5E3 230.1580 1.1E3 249.1232 1.4E3 261.1593 2.0E3 272.1594 1.8E3 292.2014 1.3E3 303.1699 4.5E4 304.1745 2.6E3 330.1802 6.2E3 344.1962 2.4E4 348.1920 1.5E3 362.2072 3.6E3 393.2487 2.8E3 402.1546 1.2E3 414.6486 1.1E3 415.2701 2.4E3 419.2281 3.3E3 422.2427 2.7E3 433.2801 2.8E3 440.2943 1.3E3 440.7175 2.7E3 443.2650 5.0E3 450.2380 3.6E4 451.2413 2.5E3 461.2748 3.7E3 504.3177 1.3E3 505.2812 1.6E3 507.2594 7.0E3 514.3034 1.3E3 523.2911 1.8E3 532.3107 1.4E3 533.2750 7.2E4 534.2783 9.0E3 540.3170 1.7E3 551.2853 2.2E4 552.2883 4.0E3 575.5021 1.5E3 604.3494 1.4E3 606.3272 2.1E3 632.3430 4.6E4 633.3458 5.6E3 647.4210 1.1E3 650.3535 3.6E3 653.4003 5.4E3 687.3145 1.2E3 703.3801 1.4E3 713.3414 1.6E3 787.7097 1.1E3 798.4148 5.6E3 841.3781 1.0E3 842.3830 6.7E5 843.3859 1.4E5 END IONS BEGIN IONS FEATURE_ID=267 PEPMASS=843.4406 SCANS=267 RTINSECONDS=1249.653 CHARGE=1 MSLEVEL=2 60.5241 1.0E3 71.3363 1.1E3 78.1294 1.1E3 81.8958 1.0E3 86.0968 2.7E4 95.8199 1.2E3 112.3377 1.1E3 112.8820 1.0E3 120.0807 1.4E3 130.0650 3.8E3 139.7208 1.0E3 141.1023 1.4E3 148.4454 1.1E3 154.4963 1.1E3 155.1175 1.2E3 157.4465 1.1E3 159.0916 1.7E5 160.0950 4.2E3 161.9262 1.0E3 171.1125 3.5E3 180.9757 1.1E3 187.0865 1.8E3 201.1236 3.2E3 253.0135 1.1E3 253.0972 3.3E3 254.1497 4.0E3 263.5502 1.0E3 266.1490 6.4E3 268.1652 1.4E3 270.1234 2.4E4 272.1602 2.2E3 272.1754 4.5E3 275.1755 1.6E3 288.1338 2.6E3 300.1700 1.7E4 303.1698 7.7E4 304.1740 4.7E3 309.1915 2.5E3 310.1755 1.9E3 311.1708 1.1E3 321.7643 1.1E3 327.2025 1.7E3 329.3722 1.1E3 333.1561 1.1E3 337.1865 3.7E3 337.2220 1.3E3 338.1702 3.7E3 341.1607 1.4E3 355.1971 1.2E4 360.1923 1.7E3 367.2329 2.7E3 369.1916 2.6E4 371.1711 3.4E3 372.8620 1.1E3 383.1929 1.8E3 383.2070 4.5E4 384.2108 2.1E3 387.2024 1.1E3 394.2058 1.1E3 397.1858 1.4E3 401.2167 4.8E3 424.1969 1.7E3 440.2285 1.1E4 441.3443 1.2E3 443.2279 8.1E3 450.2704 2.0E3 452.2286 2.9E3 454.2449 2.5E3 454.2802 3.0E3 455.2281 3.5E4 456.2303 2.0E3 461.2539 1.7E4 468.2808 1.6E3 470.2394 5.4E3 482.2747 1.5E4 483.2788 1.9E3 484.2552 4.3E3 489.2490 5.3E4 489.8514 1.0E3 490.2529 6.1E3 496.2553 1.2E3 500.2635 1.5E3 500.2848 1.5E3 501.4175 1.1E3 513.2815 1.9E3 523.2646 2.2E3 524.2494 9.4E3 541.2759 4.3E4 542.2802 4.4E3 546.2699 7.2E3 553.3118 1.4E4 555.2937 1.8E3 562.3021 2.1E3 565.3138 3.0E3 566.4008 1.1E3 569.2700 1.6E3 572.2855 1.0E5 573.2886 1.2E4 576.8875 1.3E3 590.2963 1.4E4 591.3012 1.4E3 609.3352 1.3E3 626.3654 2.8E3 636.3483 7.3E3 643.3595 3.7E3 644.4424 1.1E3 645.3384 2.3E3 654.3596 7.5E4 655.3640 7.4E3 671.3541 8.0E4 672.3574 1.1E4 673.3328 7.8E3 674.3392 1.9E3 698.7870 1.1E3 728.8422 1.1E3 741.3578 1.5E3 742.3923 9.3E3 743.3929 1.3E3 744.3723 2.0E3 757.4792 1.2E3 798.4153 1.3E3 815.4445 3.1E3 825.4287 4.5E3 842.4047 1.7E5 843.4073 1.8E5 844.3658 9.1E4 844.4181 6.8E4 878.1713 1.4E3 END IONS BEGIN IONS FEATURE_ID=268 PEPMASS=844.4201 SCANS=268 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 542.2585 1.1E3 634.3484 1.2E3 644.3413 1.3E3 655.3423 1.0E3 672.3345 1.5E3 699.3855 1.2E3 715.3779 1.4E4 716.3813 1.3E3 743.3724 2.8E4 744.3761 3.4E3 800.3881 5.5E3 800.4312 4.3E3 826.4094 4.2E3 843.4086 1.2E4 843.4728 1.5E3 844.4197 1.2E6 845.4229 2.0E5 END IONS BEGIN IONS FEATURE_ID=269 PEPMASS=845.4059 SCANS=269 RTINSECONDS=1395.192 CHARGE=2+ MSLEVEL=2 120.0806 2.7E3 184.0730 1.8E3 231.1124 1.8E3 233.1651 1.2E3 303.1699 1.7E4 304.1736 2.6E3 313.2739 1.2E3 317.1856 1.6E4 318.1888 2.3E3 330.1812 3.0E3 336.1486 1.8E3 336.6454 1.2E4 337.1474 4.1E3 344.1963 1.7E4 345.2003 2.1E3 350.1503 1.5E3 355.1964 1.9E3 369.2130 2.7E3 371.1670 1.2E3 371.6653 3.6E3 372.1641 2.6E4 372.6665 6.7E3 386.1614 1.1E4 386.6627 4.4E3 387.1631 1.0E3 397.2090 1.0E3 401.2180 2.4E3 415.2335 2.8E3 422.2437 1.1E3 427.6798 3.6E3 428.1815 1.2E3 435.6879 1.0E4 436.1875 3.7E4 436.2596 1.9E3 436.6857 3.1E5 437.1870 1.2E5 437.6875 1.7E4 443.2650 2.6E3 445.2438 2.1E3 450.2385 1.5E4 451.2419 2.1E3 457.2810 2.1E3 464.2543 1.0E4 465.2578 2.4E3 484.2560 1.4E3 502.2658 1.5E4 503.2691 2.4E3 507.2594 1.1E3 514.3019 5.0E3 516.2816 1.4E4 517.2842 2.4E3 528.3187 2.4E3 533.2753 2.3E4 534.2787 5.4E3 547.2911 1.4E4 548.2939 5.1E3 551.2862 4.5E3 552.2890 2.0E3 561.2149 2.7E3 565.3012 2.5E3 566.3054 1.0E3 575.2318 1.5E3 597.3392 1.4E3 611.3542 1.8E3 615.3498 2.8E4 616.3527 7.1E3 618.3651 4.2E3 619.3684 1.3E3 629.3654 2.4E4 630.3683 6.6E3 634.3229 3.5E3 646.3596 4.9E4 647.3626 1.5E4 648.3384 2.0E3 664.3704 5.5E3 665.3722 1.5E3 672.2844 1.2E4 673.2872 3.1E3 700.2790 1.5E4 701.2823 4.8E3 702.2805 1.2E3 705.3596 1.2E3 717.3063 1.5E3 717.3961 1.0E4 718.4022 3.4E3 744.3263 1.1E3 771.3166 4.8E3 773.3165 1.7E3 790.4500 2.6E3 800.4337 3.0E3 810.3627 4.9E3 811.3674 1.6E3 815.2936 1.4E3 818.4451 1.6E4 819.4469 6.9E3 827.3799 3.4E3 828.3005 4.1E3 828.3370 7.4E3 828.3739 4.5E4 829.3050 1.5E3 829.3400 2.9E3 829.3774 1.6E4 830.3728 3.2E3 844.3878 5.7E4 844.4358 5.0E4 844.9056 5.0E3 845.3921 3.8E4 845.4341 1.2E4 845.5820 1.7E3 845.9061 2.6E4 846.4028 4.5E3 854.3527 6.2E3 855.3571 2.3E3 870.3688 5.6E3 871.3116 1.2E3 871.3660 1.8E4 872.3639 1.9E5 873.3665 7.3E4 874.3667 1.4E4 1067.0740 1.0E3 END IONS BEGIN IONS FEATURE_ID=270 PEPMASS=846.4766 SCANS=270 RTINSECONDS=1528.634 CHARGE=1+ MSLEVEL=2 61.1922 5.3E3 61.3552 5.6E3 61.7932 5.8E3 62.7329 6.1E3 63.8483 5.9E3 65.9163 5.9E3 67.0138 7.4E3 72.0814 9.5E3 72.5268 6.4E3 76.8151 6.2E3 82.1325 5.8E3 86.0968 2.3E5 89.2805 6.0E3 92.6477 6.5E3 96.0987 7.6E3 97.8281 7.8E3 110.6335 6.8E3 118.1371 6.5E3 120.0778 1.2E4 120.0808 6.7E4 123.5639 7.6E3 167.6068 6.6E3 171.1125 1.3E4 172.8256 7.0E3 201.1233 1.9E4 204.1376 7.8E3 210.0421 6.9E3 216.8505 7.4E3 231.1123 3.8E4 232.1329 1.2E5 233.1649 3.8E4 238.5366 6.9E3 249.1235 6.7E3 254.1494 8.6E3 261.1584 4.5E4 267.1337 6.7E3 272.1592 9.1E3 293.2971 8.0E3 302.1490 9.2E3 302.1858 2.0E4 303.0740 6.8E3 309.1914 1.1E4 310.1758 9.9E3 315.3880 7.4E3 317.2227 1.1E4 330.1805 1.5E5 331.1844 8.3E3 332.1600 1.9E4 337.1863 2.0E4 338.1707 3.6E4 339.2379 8.0E3 344.1964 6.0E5 345.1991 2.8E4 345.2166 9.9E5 346.2202 6.0E4 355.1972 9.6E4 358.1748 1.1E4 362.2066 3.4E4 367.2333 1.3E4 373.2219 1.0E4 383.1917 3.1E4 385.1868 7.4E3 398.5681 6.7E3 401.2181 7.8E4 402.2196 8.5E3 403.1958 1.1E4 415.2334 1.5E4 415.2690 4.2E4 427.2324 7.4E3 431.2281 3.2E4 433.2813 8.0E3 443.2646 1.6E5 445.2440 3.9E4 450.2687 1.8E4 461.2750 1.4E4 461.2953 7.6E3 464.2900 3.7E4 469.2796 8.1E3 474.2697 1.9E4 479.2271 8.0E3 484.2543 2.5E4 486.3063 1.8E4 492.2847 3.3E5 493.2874 3.0E4 502.2650 2.4E5 503.2686 1.3E4 514.3015 2.0E5 515.3040 2.4E4 516.2798 1.6E4 523.7501 7.3E3 526.3018 3.2E4 530.2593 8.1E3 544.3116 2.1E4 549.3066 3.6E4 550.6123 7.6E3 557.9554 7.2E3 565.3383 8.8E3 569.3460 6.8E3 570.3267 1.6E4 575.3215 6.2E5 576.3249 9.2E4 587.3538 3.3E4 589.0074 7.2E3 593.3320 8.1E4 594.3342 1.2E4 597.3386 5.2E4 600.7139 6.9E3 615.3490 6.6E5 616.3521 7.2E4 646.3945 4.8E4 648.3726 1.2E4 674.3898 5.0E5 675.3920 6.7E4 676.3694 4.4E4 692.4045 7.0E3 708.1964 6.9E3 742.7349 7.3E3 745.4263 6.3E4 746.4305 1.1E4 747.4063 1.4E4 804.9239 6.6E3 818.4784 9.4E3 819.4815 8.5E3 828.4613 2.1E4 846.4710 1.3E4 END IONS BEGIN IONS FEATURE_ID=271 PEPMASS=847.4349 SCANS=271 RTINSECONDS=1247.735 CHARGE=1+ MSLEVEL=2 72.0814 1.3E3 86.0968 4.0E4 91.5064 1.1E3 131.1182 2.6E3 146.0601 9.9E3 159.0918 2.1E3 160.0951 1.5E3 163.0864 1.4E3 174.0547 6.1E3 184.0730 1.4E3 239.0812 2.8E3 254.1498 1.9E3 257.0915 3.3E3 274.1180 1.5E4 275.1749 1.6E3 280.1290 1.0E3 292.1284 1.8E3 303.1698 4.5E4 304.1650 3.3E4 304.1729 1.3E3 305.1687 1.0E3 309.1914 1.4E3 320.1960 3.2E3 337.1861 1.1E3 338.1492 1.9E3 338.1705 1.7E3 344.1971 1.2E3 345.1913 1.2E3 355.1966 4.3E3 356.1596 3.0E3 369.1920 3.5E3 373.1864 9.0E3 387.2020 2.4E4 388.2065 1.1E3 391.1973 2.0E3 405.2124 1.3E3 409.1855 1.5E3 410.2025 1.1E3 427.1974 2.8E3 429.1762 1.2E3 444.2234 7.2E3 452.2136 1.0E3 468.2598 4.0E3 468.2798 1.1E3 474.2345 1.7E3 475.2335 1.4E3 486.2698 4.9E3 488.2500 1.6E3 493.2436 1.2E4 494.2473 1.1E3 510.2336 2.5E3 517.2761 1.1E3 527.2601 3.1E3 528.2447 1.2E4 533.2747 1.8E3 534.2770 1.1E3 539.2963 1.0E3 542.2595 1.3E3 545.2709 1.9E4 546.2735 2.0E3 550.2651 1.7E3 557.3071 1.2E4 558.2705 4.7E3 558.3105 1.2E3 565.2974 1.6E3 576.2806 7.5E4 577.2835 7.8E3 594.2911 8.9E3 595.2942 1.1E3 629.3438 1.9E3 630.3585 1.6E3 640.3449 4.5E3 641.3271 1.2E3 647.3548 3.8E3 657.3386 7.4E3 658.3550 5.8E4 659.3577 6.8E3 675.3489 4.6E4 676.3524 7.0E3 677.3275 4.1E3 687.3495 2.0E3 693.3582 1.7E3 718.3920 1.0E3 746.3856 1.2E4 747.3878 1.8E3 819.4377 2.2E3 829.4219 5.1E3 846.3697 1.6E4 846.4250 1.3E4 847.3699 1.0E4 847.4300 9.0E3 847.6030 2.2E3 END IONS BEGIN IONS FEATURE_ID=272 PEPMASS=849.3966 SCANS=272 RTINSECONDS=1150.742 CHARGE=2+ MSLEVEL=2 120.0656 1.1E3 120.0808 1.4E4 155.1175 1.7E3 161.8150 1.1E3 162.0907 2.2E3 171.1128 7.1E3 173.0915 2.0E3 183.1124 1.5E3 184.0234 1.0E3 188.6722 1.0E3 190.0856 1.1E3 191.1021 3.0E3 192.9102 1.2E3 211.3448 1.1E3 229.1169 1.3E3 231.1127 1.1E4 232.1153 1.8E3 232.8434 1.1E3 233.1645 3.9E3 237.1017 1.1E3 242.8951 1.3E3 246.1444 1.0E3 248.1388 1.3E3 249.1221 1.3E3 251.4933 1.0E3 253.1523 1.2E3 254.1488 1.7E3 261.1595 4.0E3 272.1599 1.4E4 273.1637 1.6E3 273.6451 1.2E3 275.1753 2.2E3 285.4779 1.1E3 290.1704 1.3E4 296.1971 1.5E3 302.1863 9.9E3 303.1701 1.9E5 304.1732 2.6E4 320.1953 1.3E3 326.2433 1.1E3 327.2027 2.2E3 328.1860 2.7E3 329.1393 2.9E3 329.6375 1.9E4 330.1392 6.7E3 330.1658 1.3E3 330.1807 3.1E4 330.5359 1.1E3 331.1843 3.4E3 332.9235 1.2E3 337.1865 3.4E3 342.1444 1.3E3 343.6346 1.5E3 344.1965 7.7E4 345.2003 1.3E4 345.2132 4.0E3 346.2170 1.3E3 355.1961 7.7E3 356.1050 2.2E3 358.6406 1.2E3 361.0201 1.2E3 361.4920 1.2E3 362.2067 2.5E3 364.6577 3.7E3 365.1563 1.6E4 365.6577 3.7E3 373.2077 2.5E4 373.2228 2.1E3 374.2120 2.8E3 378.6554 2.2E3 379.1533 2.1E4 379.6553 7.8E3 383.0921 1.9E3 388.1588 2.7E3 391.2925 1.4E3 401.2028 7.3E3 401.2178 1.7E4 401.7182 1.1E3 402.2213 2.9E3 406.0738 1.4E3 407.1835 2.7E3 407.6642 2.1E3 407.6827 8.3E3 415.2700 1.3E4 415.6799 1.3E3 416.1657 2.3E3 416.2722 1.5E3 416.6689 6.1E3 417.1713 2.1E3 417.3960 1.2E3 419.2284 6.3E3 420.2312 1.2E3 421.2066 2.1E3 422.2430 1.0E4 423.2468 2.6E3 428.6800 1.7E3 429.6780 7.9E3 430.1783 5.2E3 433.2799 1.5E3 437.6850 6.2E3 437.7040 4.3E3 438.1852 2.4E4 438.2022 2.0E3 438.6829 1.6E5 439.1845 6.1E4 439.6847 5.7E3 443.2646 1.9E4 444.2681 3.9E3 450.2382 9.4E4 451.2416 2.3E4 453.1698 1.7E3 453.7024 1.3E3 458.2736 1.7E3 460.2906 1.6E3 461.2746 1.8E3 468.1467 1.7E3 468.2812 2.2E3 469.1524 1.5E3 474.2698 1.5E3 475.2416 1.7E3 476.1623 1.6E3 476.2496 3.0E3 477.1701 4.2E3 477.2525 1.5E3 492.2811 6.5E3 493.2843 1.6E3 495.9647 1.4E3 496.1765 4.4E3 502.2656 2.0E4 503.2687 5.5E3 504.1566 1.7E3 507.2600 4.1E3 512.1598 3.0E3 514.3017 2.2E4 515.2664 2.4E3 515.3051 4.3E3 520.1762 1.7E3 520.2762 1.4E5 521.1830 2.4E3 521.2792 2.4E4 522.2817 3.2E3 523.2899 2.1E3 529.1980 1.5E3 530.1694 1.4E3 532.2531 1.2E3 532.3132 5.1E3 533.2754 2.1E5 534.2787 5.2E4 535.2004 1.4E3 535.2812 2.1E3 538.1733 1.9E3 540.1894 1.5E3 540.3842 1.4E3 548.2709 2.9E3 550.3016 1.5E3 551.2859 2.7E4 552.2889 7.4E3 553.2905 1.6E3 556.1496 2.2E3 559.2009 2.8E3 560.2064 3.9E3 561.1792 2.1E3 561.2148 1.0E4 562.2213 4.3E3 578.2045 2.3E3 584.1777 1.9E3 587.1956 2.4E3 588.3278 2.2E3 589.3329 4.9E3 590.3364 2.7E3 597.2501 2.3E3 597.3397 3.3E3 600.2392 3.9E3 603.2132 2.9E3 604.2208 4.8E3 604.3490 3.9E4 605.2247 1.6E3 605.3517 9.8E3 605.3684 4.4E3 606.3281 2.2E3 606.3697 2.1E3 615.2508 1.4E3 615.3499 2.3E4 616.2214 3.5E3 616.3519 7.1E3 627.2330 1.7E3 631.2432 1.8E3 632.2549 7.5E3 632.3439 2.3E5 633.3618 2.4E5 634.3646 6.7E4 635.3654 7.7E3 640.2583 2.3E3 648.2565 1.7E3 649.3706 1.8E3 650.3540 2.2E4 651.2582 2.7E3 651.3574 7.5E3 652.3345 1.1E4 652.3615 2.2E3 653.3367 3.8E3 656.2728 2.0E3 658.2681 3.8E4 659.2748 2.7E4 660.2499 6.7E3 660.2778 6.1E3 668.2520 2.0E3 675.3879 2.4E3 676.2679 1.5E3 677.2732 3.6E3 684.2672 2.6E3 685.2767 2.1E3 685.3723 1.6E3 686.2628 5.9E4 687.2666 1.9E4 688.2675 3.5E3 696.2803 2.0E3 701.2946 5.0E3 702.2946 8.3E3 703.2894 1.1E5 703.3806 6.9E4 703.8132 1.9E3 704.2924 3.8E4 704.3843 2.4E4 705.2941 5.5E3 705.3881 2.5E3 721.3917 2.0E4 722.3953 8.5E3 723.3718 1.4E4 723.4035 2.1E3 724.3735 4.6E3 729.3062 6.0E3 730.3114 7.6E3 731.3188 2.6E3 740.2701 2.0E3 740.3533 2.5E3 744.2809 3.8E3 745.2827 1.9E3 747.3138 2.4E3 751.4009 1.2E4 752.4072 2.4E3 756.2928 1.6E3 757.3004 1.3E4 758.3057 1.9E3 759.3016 7.3E3 759.3350 1.6E3 760.3115 2.4E3 770.2957 2.8E3 770.3295 4.6E3 773.3178 1.6E3 774.3162 4.4E3 775.3107 2.0E5 776.3135 9.3E4 776.4333 4.3E3 777.3169 1.8E4 777.4108 5.6E3 778.4144 3.5E3 784.2946 2.0E3 786.3099 4.2E3 786.4183 3.1E3 787.2996 2.4E4 787.3348 3.5E4 788.3054 1.1E5 788.3405 2.4E4 789.3091 3.8E4 789.3438 6.8E3 790.3115 4.6E3 794.4443 2.9E4 795.3424 1.9E3 795.4468 1.1E4 796.3106 4.2E3 796.3445 1.9E3 803.3305 1.9E3 804.4288 5.9E4 805.4318 2.4E4 805.8564 2.0E3 806.4351 2.7E3 812.3258 7.5E3 813.3140 1.2E4 813.3549 2.6E4 814.3214 1.3E5 814.3560 2.1E4 815.3247 4.3E4 815.3596 4.1E3 816.3259 3.6E3 816.3612 1.9E3 819.2885 2.7E3 819.3262 3.0E3 819.3680 1.6E3 820.2909 2.3E3 820.3275 1.8E3 822.4393 2.4E5 823.4426 1.0E5 824.4457 1.7E4 826.8843 1.6E3 827.3845 4.3E3 829.3310 2.6E3 830.3351 1.5E4 831.3267 1.3E5 832.3320 4.2E5 833.3349 1.4E5 834.3345 2.9E4 848.4329 7.8E4 848.9003 1.8E4 849.3997 9.7E4 849.4363 1.7E4 849.9009 8.0E4 850.4015 1.5E4 856.3505 1.6E3 857.3392 1.4E4 858.3472 5.5E4 859.3500 2.1E4 860.3505 3.7E3 863.3133 4.8E3 864.3165 2.7E3 874.3625 1.5E4 875.3578 3.7E4 876.3585 3.3E5 877.3612 1.3E5 878.3616 2.7E4 1307.3792 1.6E3 1492.5072 2.1E3 1492.9553 2.1E3 END IONS BEGIN IONS FEATURE_ID=273 PEPMASS=850.4706 SCANS=273 RTINSECONDS=1247.735 CHARGE=1+ MSLEVEL=2 60.1216 4.1E3 62.7091 4.1E3 67.1085 4.6E3 67.3632 4.3E3 69.7889 4.1E3 70.2169 4.9E3 72.0814 5.5E3 80.6232 5.1E3 80.9108 4.9E3 86.0968 1.6E5 88.3221 4.9E3 88.8736 5.0E3 90.0747 5.1E3 90.3104 4.6E3 111.8755 4.8E3 112.7447 4.6E3 120.0809 4.2E4 121.8919 4.2E3 126.8612 4.7E3 138.2265 4.9E3 139.7576 5.1E3 143.1591 5.0E3 146.7208 5.1E3 149.4552 5.2E3 157.1526 4.6E3 158.6704 5.5E3 159.0533 4.7E3 161.7140 4.5E3 162.1871 4.4E3 164.4472 5.2E3 167.2708 5.2E3 171.1127 1.6E4 171.5828 4.5E3 173.0915 8.4E3 190.1220 1.1E4 191.1024 6.1E3 194.7903 5.6E3 194.9225 5.0E3 207.4004 6.4E3 207.4317 5.3E3 212.6368 4.6E3 218.1175 6.9E4 227.4315 5.5E3 228.4204 4.6E3 231.1127 2.5E4 233.1645 1.6E4 254.1488 7.0E3 259.5185 4.9E3 261.1590 2.5E4 272.1598 2.6E4 282.1432 5.1E3 290.1706 2.8E4 302.1860 7.6E3 303.1696 5.8E3 303.2061 6.2E3 309.1914 6.3E3 328.1859 8.5E3 330.1805 7.0E4 331.2010 4.7E5 332.2042 2.4E4 339.6961 5.1E3 344.1962 4.6E5 345.1999 2.4E4 345.2126 1.9E4 348.1903 6.0E3 355.1967 1.9E4 362.2060 8.7E3 373.2079 4.3E4 401.2021 1.8E4 401.2177 2.7E4 415.2700 2.9E4 419.2276 1.4E4 436.4757 4.5E3 443.2645 6.7E4 444.2676 8.3E3 449.8297 5.4E3 450.2735 2.4E4 455.2055 6.7E3 458.2763 4.9E3 463.2546 6.1E3 468.2810 6.6E3 478.2693 1.7E5 479.2729 1.3E4 492.2807 1.8E4 502.2647 4.4E4 514.3015 4.2E4 520.2755 1.4E5 521.2795 9.9E3 523.4053 5.5E3 532.3118 1.4E4 534.2918 1.4E4 538.2935 4.8E3 548.2703 1.6E4 559.0851 4.5E3 560.6880 5.4E3 561.3061 3.7E5 562.3076 3.1E4 579.3158 4.4E4 580.3167 5.4E3 585.9614 5.7E3 587.3517 5.1E3 588.3392 8.5E3 597.3391 9.0E3 605.3644 3.7E4 615.3486 8.1E4 616.3527 6.8E3 623.9544 5.2E3 632.3796 4.1E4 633.3596 4.3E5 634.3626 6.0E4 649.3625 4.7E3 660.3744 2.9E5 661.3785 4.0E4 678.3831 1.5E4 680.3649 2.8E4 713.2867 6.1E3 731.4117 4.3E4 732.4122 7.2E3 749.4214 1.9E4 751.4002 2.1E4 751.4315 7.5E3 764.3174 5.4E3 767.5126 6.0E3 779.4303 2.1E4 793.3524 5.8E3 805.4461 7.0E3 810.4296 5.8E3 822.4752 3.3E4 823.4776 7.8E3 832.4593 5.8E4 833.4601 5.3E3 850.4692 9.2E4 851.4706 1.4E4 END IONS BEGIN IONS FEATURE_ID=274 PEPMASS=850.4866 SCANS=274 RTINSECONDS=1277.358 CHARGE=1+ MSLEVEL=2 86.0969 1.1E4 120.0809 3.1E3 218.1176 2.4E3 231.1128 1.4E3 233.1647 1.4E3 261.1591 1.3E3 272.1599 1.5E3 290.1704 1.3E3 303.1698 1.4E4 304.1732 1.6E3 317.1853 2.4E3 330.1808 4.9E3 331.2009 2.1E4 332.2046 1.6E3 344.1963 2.4E4 345.1999 1.7E3 355.1972 1.7E3 373.2072 2.4E3 401.2178 1.8E3 401.2391 1.6E3 443.2644 5.0E3 450.2380 5.9E3 450.2743 1.6E3 451.2411 1.4E3 478.2694 7.0E3 502.2650 3.4E3 503.2683 1.1E3 514.3011 2.7E3 520.2756 5.5E3 530.2962 1.5E3 532.3118 1.1E3 533.2748 1.3E4 534.2759 3.7E3 547.2916 1.3E3 548.3085 2.3E3 551.2858 2.7E3 561.3063 1.5E4 562.3096 1.3E3 579.3168 1.8E3 605.3640 1.2E3 615.3490 5.6E3 616.3519 2.3E3 632.3432 8.0E3 632.3764 2.0E3 633.3612 1.7E4 634.3636 2.5E3 643.3797 1.2E3 646.3582 3.3E3 647.3746 1.2E3 660.3740 1.2E4 661.3927 5.2E3 680.3636 1.8E3 731.4119 2.7E3 792.4238 1.3E3 814.3434 1.4E3 822.4733 1.9E3 832.4592 4.2E3 849.6160 1.0E3 850.4702 5.1E3 851.4716 1.1E3 END IONS BEGIN IONS FEATURE_ID=275 PEPMASS=852.4288 SCANS=275 RTINSECONDS=1486.671 CHARGE=1 MSLEVEL=2 86.0968 2.9E4 120.0808 1.3E4 184.0729 1.1E3 219.1129 6.1E3 231.1126 4.3E3 233.1647 1.9E3 249.1227 3.6E3 261.1591 2.6E3 275.1747 1.2E3 302.1494 4.1E3 303.1699 8.2E4 304.1731 6.7E3 305.1759 1.2E3 315.1334 1.6E3 320.1601 2.0E3 332.1591 2.8E3 344.1961 3.3E4 345.1993 2.4E3 357.1915 2.9E3 358.1752 2.3E3 362.2066 2.6E3 375.2018 1.8E3 378.1805 1.0E4 385.1860 2.9E3 386.1705 2.9E3 403.1968 9.8E3 415.2333 2.0E3 422.2426 3.7E3 431.1917 4.7E3 445.2434 2.2E3 449.2174 7.0E3 450.2379 2.6E4 451.2422 3.7E3 452.2435 1.9E3 461.2171 1.6E3 463.2692 2.8E3 479.2287 1.7E3 491.2641 4.8E3 502.2649 1.2E3 503.2679 1.6E3 504.2712 1.7E3 516.2805 1.4E3 522.2697 2.6E3 532.2542 1.9E3 533.2748 5.3E4 534.2783 8.4E3 534.3065 1.1E3 535.2812 3.9E3 549.4869 2.1E3 550.2651 1.6E4 551.2859 7.5E3 552.2887 1.2E3 562.3011 9.1E3 616.3521 3.3E3 617.3550 6.2E3 618.3566 1.3E3 632.3429 1.7E3 633.3463 3.7E3 634.3220 2.8E3 634.3484 6.3E3 635.3529 5.4E3 645.3370 2.6E3 652.3464 2.9E3 663.3488 3.4E4 664.3523 3.9E3 680.3431 1.8E4 681.3463 2.2E3 705.3858 1.1E3 751.3792 5.0E3 806.4317 1.4E3 824.4322 1.8E3 834.4156 1.2E3 851.6329 2.6E3 852.5422 1.2E3 852.6345 1.4E3 853.4818 2.2E3 END IONS BEGIN IONS FEATURE_ID=276 PEPMASS=852.4492 SCANS=276 RTINSECONDS=1125.339 CHARGE=1 MSLEVEL=2 86.0968 1.0E4 120.0803 2.5E3 201.1230 2.0E3 231.1128 1.6E3 261.1601 1.1E3 284.1602 1.1E3 303.1698 3.1E4 304.1729 1.2E3 320.1807 1.1E3 330.1802 5.3E3 344.1962 1.7E4 385.2075 1.5E3 403.2179 2.8E3 413.2169 1.2E3 415.2693 1.2E3 422.2435 2.2E3 431.2278 1.5E3 443.2643 4.6E3 450.2379 1.0E4 507.2602 1.1E3 532.2755 2.1E3 533.2748 3.4E4 534.2776 3.5E3 544.3123 1.7E3 549.2690 1.5E3 550.2855 6.9E3 551.2853 2.3E3 604.3468 2.5E3 632.3431 1.6E4 633.3443 2.1E3 635.3757 1.8E3 645.3589 2.2E3 646.3597 2.5E3 648.3381 1.6E3 652.3319 1.3E3 663.3163 2.0E3 663.3699 1.8E4 664.3732 1.7E3 715.3806 1.1E3 733.3899 2.6E3 753.3786 1.7E3 816.4272 1.2E3 824.4521 2.6E3 834.4374 3.8E3 852.4489 4.9E3 853.4838 2.8E3 END IONS BEGIN IONS FEATURE_ID=277 PEPMASS=853.4812 SCANS=277 RTINSECONDS=1167.954 CHARGE=1+ MSLEVEL=2 61.0778 2.2E3 61.0876 2.1E3 69.4109 2.3E3 71.2432 2.5E3 71.9101 2.5E3 76.4603 2.3E3 76.7483 2.5E3 81.5318 2.5E3 86.0952 2.7E3 86.0970 8.9E3 86.6300 2.6E3 91.4116 2.8E3 91.5082 6.9E3 99.4692 2.4E3 117.3025 2.6E3 120.0807 1.4E4 120.8119 2.4E3 129.9551 2.5E3 139.4186 2.6E3 150.1169 2.8E3 153.8636 3.0E3 155.7477 2.5E3 165.0650 2.4E3 168.1473 2.4E3 184.6749 2.9E3 186.7291 2.9E3 187.1075 3.9E3 201.1230 4.3E3 228.1865 3.1E3 231.1122 3.1E3 232.0773 2.7E3 249.1231 4.8E3 256.7697 3.3E3 269.1223 2.8E3 272.1599 1.7E4 275.1762 2.5E3 303.1697 1.3E5 304.1729 6.2E3 318.8520 2.9E3 330.1807 1.6E4 344.1961 3.6E4 348.1910 6.3E3 362.2068 1.3E4 368.9900 2.7E3 386.8254 2.7E3 387.2222 4.8E3 389.2528 3.5E3 391.2331 6.7E3 401.2170 4.1E3 419.2279 4.1E4 422.2426 1.5E4 433.2433 3.0E3 443.2646 1.2E4 446.2993 2.7E3 450.2379 1.7E5 451.2404 1.7E4 461.2748 3.9E3 504.3169 7.1E3 505.2805 4.4E3 507.2595 2.5E4 514.3018 2.7E4 523.2911 1.0E4 530.3958 2.8E3 532.3123 3.9E4 533.2748 2.1E5 534.2756 1.8E4 540.3790 2.8E3 543.9162 3.0E3 551.2857 1.3E5 552.2885 9.5E3 563.7499 3.5E3 604.3480 7.6E3 606.3274 2.3E4 629.7153 2.9E3 632.3433 3.4E5 633.3459 4.3E4 647.3752 2.8E4 650.3538 6.1E4 651.3574 6.0E3 703.3796 1.5E4 721.3905 4.5E4 722.3920 7.0E3 758.3951 2.9E3 823.2452 3.0E3 END IONS BEGIN IONS FEATURE_ID=278 PEPMASS=853.4815 SCANS=278 RTINSECONDS=1360.565 CHARGE=1+ MSLEVEL=2 67.3752 1.1E3 70.3933 1.1E3 85.9472 1.1E3 86.0952 1.5E3 86.0969 7.6E3 86.2380 1.2E3 91.5063 1.7E3 96.4236 1.1E3 100.0239 1.2E3 103.1794 1.1E3 114.3659 1.2E3 120.0807 5.5E3 121.3585 1.1E3 133.0971 2.6E3 153.2938 1.0E3 167.3514 1.1E3 186.1235 1.6E4 194.4328 1.0E3 204.1343 2.3E4 231.1125 1.9E3 234.4671 1.1E3 249.1235 2.4E3 272.1596 1.7E3 285.1917 5.3E3 302.4942 1.3E3 303.1698 4.2E4 303.2024 7.7E3 304.1736 4.9E3 305.1767 1.6E3 320.1964 1.2E3 330.1811 6.1E3 344.1960 1.1E4 345.1997 2.2E3 346.6691 1.2E3 348.1902 1.3E3 362.2070 4.4E3 386.2404 1.6E3 401.2194 1.2E3 404.2499 1.4E4 415.2714 1.7E3 419.2281 5.2E3 422.2441 3.9E3 429.6787 3.2E3 436.9584 1.3E3 439.5731 1.1E3 443.2654 3.3E3 447.8384 1.3E3 450.2382 5.0E4 451.2421 4.7E3 452.2451 2.6E3 455.9449 1.2E3 461.2739 2.1E3 462.2362 1.3E3 507.2595 8.2E3 514.3011 2.0E3 517.4037 1.5E3 518.7776 1.3E3 523.2896 1.7E3 532.3123 5.8E3 533.2749 6.7E4 533.3081 7.6E3 534.2762 5.7E3 535.2823 2.2E3 535.7600 1.2E3 536.2861 1.5E3 551.2858 4.2E4 551.3148 6.0E3 552.2886 4.7E3 600.1404 1.2E3 604.3478 3.1E3 606.3287 4.9E3 607.3315 1.3E3 616.3525 1.3E3 617.3553 3.5E3 618.3586 2.9E3 621.3613 2.3E3 632.3433 9.6E4 633.3467 1.4E4 634.3492 2.8E3 635.3539 4.6E3 646.3912 1.9E4 650.3527 1.5E4 651.3577 2.0E3 664.4013 9.9E3 703.3813 1.5E3 721.3906 1.1E4 777.6523 1.2E3 812.6968 1.4E3 817.4603 1.9E3 835.4700 4.5E4 836.4749 6.5E3 853.4804 2.5E5 854.4835 4.2E4 END IONS BEGIN IONS FEATURE_ID=279 PEPMASS=854.4646 SCANS=279 RTINSECONDS=1107.143 CHARGE=1+ MSLEVEL=2 60.3344 4.7E3 61.8976 4.6E3 62.1555 4.2E3 65.0075 4.1E3 66.4611 5.2E3 69.0029 5.6E3 71.0132 4.7E3 71.9738 4.6E3 72.0812 1.3E4 74.4777 4.7E3 75.8698 4.7E3 81.3321 5.1E3 84.1718 6.2E3 86.0946 1.1E4 86.0967 1.9E5 94.2216 4.6E3 105.8448 5.4E3 120.0807 1.1E5 132.4359 6.1E3 134.0810 1.9E4 144.9106 6.5E3 150.7611 4.8E3 172.0354 5.3E3 173.1286 9.3E3 178.8891 5.5E3 187.1074 9.5E4 190.0858 7.3E3 201.1234 2.5E4 205.1183 6.0E4 221.0796 5.6E3 221.1284 2.7E4 231.1125 4.8E4 233.1640 8.6E3 249.1228 4.4E4 252.6472 5.3E3 253.3729 6.2E3 254.1501 5.8E3 261.1591 3.2E4 266.4972 5.3E3 269.0190 8.9E3 272.1598 6.6E4 276.1699 2.2E4 276.3028 5.8E3 286.1756 6.9E4 302.1865 1.2E4 303.1699 1.3E6 304.1732 6.3E4 304.1863 1.3E4 317.1857 5.9E3 318.1807 2.1E4 319.1646 9.2E3 320.1962 2.1E4 330.1806 1.4E5 331.1831 6.8E3 332.1963 6.1E3 334.2112 6.3E3 344.1964 5.2E5 345.1993 1.8E4 348.1907 4.6E4 362.2067 1.0E5 367.2338 1.3E4 372.6675 5.2E3 373.2055 6.7E3 385.2440 9.4E3 387.2233 9.4E4 389.2545 3.0E4 391.2336 2.0E4 401.2166 3.5E4 405.2335 4.4E4 415.2333 7.2E3 415.2691 3.3E4 417.2487 3.2E4 419.2280 1.5E5 420.2308 9.0E3 422.2431 1.1E5 423.2462 9.7E3 433.2802 5.1E4 441.4056 5.7E3 443.2645 1.5E5 444.0199 6.5E3 444.2675 1.0E4 450.2380 1.2E6 451.2411 1.1E5 461.2751 9.0E4 469.2791 7.4E3 486.3063 9.2E3 488.2854 1.1E4 504.3165 2.1E4 505.2794 2.5E4 507.2594 2.5E5 508.2622 1.7E4 514.3013 6.7E4 515.2648 1.0E4 516.2803 7.3E3 523.2908 7.1E4 532.3121 9.7E4 533.2750 2.1E6 534.2766 2.0E5 535.2943 5.8E3 547.2895 6.1E3 549.2700 8.1E3 551.2854 7.3E5 552.2864 4.9E4 552.3021 7.4E4 553.3052 8.7E3 556.6088 6.9E3 578.3320 1.8E4 591.8323 6.1E3 601.8925 5.7E3 604.3478 5.5E4 605.3493 5.8E3 606.3276 7.2E4 622.3575 1.0E4 631.5250 5.8E3 632.3431 1.8E6 633.3465 2.4E5 646.3586 2.4E4 647.3748 7.4E4 648.3366 1.4E4 648.3795 6.3E3 650.3531 1.3E5 651.3563 1.8E4 665.3858 2.5E5 666.3894 3.1E4 679.1237 7.7E3 703.3796 4.5E4 704.3851 9.8E3 721.3901 7.6E4 722.3935 1.5E4 762.4132 7.3E3 818.4427 1.1E4 836.4537 1.3E5 837.4565 2.2E4 838.4304 9.3E3 860.5908 8.5E3 END IONS BEGIN IONS FEATURE_ID=280 PEPMASS=855.9294 SCANS=280 RTINSECONDS=1199.137 CHARGE=1 MSLEVEL=2 61.5714 1.3E3 63.2949 1.2E3 65.8455 1.2E3 69.3498 1.2E3 69.4778 1.2E3 70.2169 1.3E3 74.5077 1.2E3 75.1543 1.2E3 77.7067 1.4E3 80.2289 1.2E3 81.6999 1.2E3 82.6451 1.3E3 84.8155 1.2E3 86.0967 2.1E4 86.2322 1.5E3 87.0999 3.0E3 93.6028 1.2E3 115.4761 1.3E3 120.0809 2.1E3 120.9106 1.3E3 133.7542 1.6E3 137.0163 1.4E3 137.1890 1.6E3 148.4136 1.6E3 150.6178 1.2E3 161.9192 1.6E3 171.1123 1.5E3 185.1282 2.1E3 185.9574 1.4E3 187.6720 1.4E3 191.1021 2.1E3 203.4097 1.3E3 224.4823 1.3E3 253.9772 1.3E3 262.1632 1.6E3 271.1407 1.3E3 286.1754 2.9E3 290.1704 1.7E3 291.9215 1.7E3 303.1696 2.7E4 304.1734 1.6E4 304.1826 1.8E3 304.1859 1.7E3 305.1755 4.1E3 317.1854 2.0E4 318.1890 1.1E4 319.1920 2.4E3 321.6027 1.7E3 337.8836 1.4E3 338.5044 1.3E3 344.1964 2.5E4 345.1996 1.8E4 346.2025 6.1E3 351.6616 2.2E3 364.1781 6.3E3 364.6801 1.6E3 366.1628 2.1E3 374.2110 1.9E3 386.1602 1.4E3 387.1799 1.4E4 387.2229 2.9E3 387.6816 2.4E3 388.1826 1.6E3 388.2264 2.8E3 406.7039 5.8E3 421.3463 1.6E3 428.6998 1.6E3 437.7041 1.8E5 438.2057 9.6E4 438.7078 1.5E4 444.2692 1.9E3 450.2386 1.0E4 451.2415 9.7E3 452.2439 6.0E3 458.2837 2.0E3 464.2547 6.6E3 465.2569 8.5E3 466.2601 3.7E3 502.2643 1.6E3 516.2811 1.7E3 520.2757 3.6E3 521.2794 7.7E3 522.2822 4.4E3 533.2749 1.7E4 534.2768 2.4E4 534.3127 1.4E3 535.2786 1.9E4 536.2993 6.9E3 547.2908 9.2E3 548.2926 1.2E4 549.2960 1.4E4 551.2856 3.6E3 552.2896 4.3E3 553.2916 2.2E3 568.8503 1.5E3 601.8566 1.7E3 615.3496 1.6E3 616.3512 2.3E3 618.3633 2.2E3 619.3669 2.0E3 620.0493 1.4E3 620.3686 2.4E3 631.3715 2.9E3 633.3593 9.5E3 634.3632 1.8E4 635.3647 2.1E4 636.3690 4.4E3 646.3590 1.2E4 647.3596 2.5E4 648.3654 3.8E4 649.3810 2.0E4 650.3826 1.9E3 652.3358 2.4E3 653.3359 1.5E3 654.3385 1.6E3 665.3727 2.1E3 666.3761 5.2E3 701.3326 3.9E3 702.3359 1.6E3 717.3964 2.4E3 718.3977 4.6E3 719.4011 7.0E3 725.3721 1.8E3 736.4080 2.8E3 737.4116 5.6E3 747.6956 1.6E3 767.4252 2.0E3 810.4642 8.9E3 819.4465 1.9E3 820.4502 1.5E4 821.4535 2.3E3 830.3740 3.6E4 831.3773 1.9E4 832.3817 4.2E3 836.4532 5.1E3 837.4561 7.4E3 838.4597 4.2E4 839.4633 8.9E3 855.4274 2.8E4 855.9297 4.8E4 856.4304 2.0E4 856.9338 4.7E3 874.3992 1.2E4 874.5632 1.5E3 875.4047 5.5E3 END IONS BEGIN IONS FEATURE_ID=281 PEPMASS=856.3915 SCANS=281 RTINSECONDS=866.62 CHARGE=1+ MSLEVEL=2 91.5063 1.5E3 337.1212 2.5E4 338.1245 1.4E3 378.1478 5.8E3 456.1948 1.7E3 484.1895 5.5E3 503.2274 1.3E3 520.2761 2.5E3 567.2263 2.0E4 568.2282 2.3E3 585.2367 2.7E3 638.2996 1.5E3 666.2949 1.0E4 667.3124 6.7E3 686.2827 1.5E3 737.3329 1.8E3 792.3907 3.0E3 828.3933 2.7E3 838.3802 3.0E3 856.3897 6.8E3 857.3918 1.5E3 END IONS BEGIN IONS FEATURE_ID=282 PEPMASS=856.3910 SCANS=282 RTINSECONDS=888.431 CHARGE=1+ MSLEVEL=2 91.5062 1.0E3 273.1226 1.8E3 295.1104 1.3E3 303.1697 2.2E3 330.1807 1.4E3 337.1208 4.4E4 338.1247 1.9E3 373.2081 1.3E3 378.1472 1.2E4 456.1950 1.8E3 466.2320 1.2E3 477.2148 2.1E3 484.1890 7.3E3 502.2644 1.4E3 503.2279 2.2E3 520.2754 4.9E3 541.2108 1.4E3 549.2698 2.1E3 567.2260 3.7E4 568.2289 4.3E3 585.2370 3.1E3 602.2956 1.2E3 603.3122 2.4E3 638.2996 3.2E3 648.3370 1.4E3 666.2941 2.1E4 667.3117 1.5E4 668.3130 2.1E3 684.3035 1.0E3 686.2855 1.9E3 737.3316 4.3E3 757.3188 1.6E3 774.3796 1.8E3 785.3518 2.0E3 792.3918 3.9E3 828.3944 4.9E3 829.3956 1.1E3 838.3784 4.8E3 856.3889 1.1E4 857.3916 2.1E3 END IONS BEGIN IONS FEATURE_ID=283 PEPMASS=856.4440 SCANS=283 RTINSECONDS=1016.508 CHARGE=1+ MSLEVEL=2 86.0968 3.6E3 120.0807 2.4E3 191.1026 1.2E3 231.1130 1.5E3 249.1229 1.3E3 272.1596 1.9E3 303.1701 1.5E3 319.1646 2.3E4 320.1685 1.1E3 330.1805 3.1E3 344.1958 4.5E3 373.2076 1.2E3 391.2177 2.0E3 419.2273 2.1E3 438.2381 1.3E3 450.2372 1.4E3 466.2328 2.0E4 467.2367 2.8E3 520.2766 1.1E3 523.2540 5.1E3 533.2750 1.9E3 538.2858 2.4E3 539.2844 1.8E3 549.2696 4.3E4 550.2734 5.5E3 567.2802 1.4E4 568.2836 1.4E3 622.3232 1.8E3 632.3429 1.7E3 648.3380 3.9E4 649.3407 4.8E3 651.3699 2.5E3 666.3494 2.5E3 719.3757 1.3E3 737.3836 1.3E3 838.4336 1.9E3 END IONS BEGIN IONS FEATURE_ID=284 PEPMASS=858.4362 SCANS=284 RTINSECONDS=1167.954 CHARGE=1+ MSLEVEL=2 60.6875 4.2E3 62.9161 4.2E3 63.4013 4.0E3 67.6784 4.7E3 73.6198 4.5E3 74.6257 4.3E3 75.5997 4.8E3 81.6576 5.5E3 82.2730 4.3E3 82.5728 4.3E3 85.7832 5.4E3 86.0970 5.7E3 86.6286 5.2E3 87.3101 3.9E3 88.3660 4.3E3 90.5324 5.3E3 94.9230 4.9E3 95.4176 6.5E3 96.1864 5.5E3 96.6402 4.4E3 110.1279 5.5E3 118.6740 5.4E3 129.6265 4.5E3 134.8945 4.7E3 139.6990 4.7E3 163.3466 4.8E3 187.7251 5.6E3 192.7917 5.2E3 208.3225 5.5E3 218.0411 5.0E3 219.2634 5.8E3 237.4136 5.7E3 281.9152 5.1E3 368.2191 5.6E3 368.7211 4.9E3 374.4735 5.5E3 376.2670 5.0E3 381.1805 5.7E3 395.0481 4.9E3 427.0960 5.1E3 442.2536 5.1E3 592.0427 5.8E3 711.3823 6.8E3 739.3787 6.3E3 757.3875 1.7E4 796.4360 9.6E3 814.4077 8.1E3 840.4261 1.7E4 857.4310 8.1E3 857.9810 6.8E3 858.4357 3.8E6 859.4388 5.9E5 END IONS BEGIN IONS FEATURE_ID=285 PEPMASS=858.4753 SCANS=285 RTINSECONDS=1162.224 CHARGE=1 MSLEVEL=2 86.0967 1.3E4 120.0775 1.0E3 120.0807 7.3E3 138.0912 1.2E3 201.1234 1.1E3 209.1284 9.2E3 221.1281 1.4E3 231.1124 3.9E3 233.1643 1.2E3 249.1230 3.3E3 261.1597 2.7E3 272.1597 3.3E3 275.1751 1.1E3 276.1700 1.6E3 303.1699 7.5E4 304.1724 3.0E3 308.1964 1.9E3 313.2734 1.8E3 318.1806 1.8E3 320.1956 2.2E3 330.1805 1.0E4 344.1963 3.5E4 345.2000 2.0E3 348.1917 2.9E3 353.2179 2.7E3 362.2069 5.9E3 367.2340 1.1E3 389.2541 1.5E3 391.2325 1.5E3 401.2170 1.4E3 409.2438 3.3E3 415.2694 1.9E3 419.2280 7.5E3 422.2427 5.5E3 433.2799 2.5E3 443.2644 1.1E4 444.2678 1.0E3 448.7150 4.6E3 450.2381 6.5E4 450.2707 1.7E3 451.2416 5.1E3 461.2746 4.4E3 504.3166 1.9E3 505.2800 1.6E3 507.2591 1.6E4 514.3008 4.0E3 523.2906 3.5E3 532.3122 5.5E3 533.2750 1.3E5 534.2783 1.3E4 551.2853 3.8E4 552.2889 4.6E3 556.3116 5.8E3 604.3491 2.9E3 606.3280 4.2E3 632.3431 9.8E4 633.3465 1.3E4 650.3531 6.5E3 651.3558 1.3E3 669.3958 1.1E4 670.3997 1.4E3 703.3789 2.4E3 721.3897 3.2E3 814.4088 1.4E3 840.4630 1.6E3 857.4534 1.6E3 858.3749 1.1E4 858.4354 6.9E4 859.3781 2.7E3 859.4393 9.5E3 END IONS BEGIN IONS FEATURE_ID=286 PEPMASS=859.4222 SCANS=286 RTINSECONDS=1043.746 CHARGE=2+ MSLEVEL=2 120.0805 1.3E4 121.0834 1.5E3 121.8778 1.6E3 122.5082 1.6E3 124.3559 1.7E3 132.9204 1.5E3 149.4042 1.9E3 158.8232 2.2E3 160.2713 2.3E3 161.8762 2.0E3 164.2453 1.8E3 171.7618 1.8E3 173.0917 2.3E3 173.1279 5.3E3 183.1620 1.9E3 191.1020 4.6E3 199.9496 2.3E3 201.1231 7.1E3 216.8246 2.2E3 220.7098 2.2E3 221.1280 4.2E3 233.1640 2.9E3 234.5616 2.3E3 243.2599 2.5E3 249.1227 3.8E3 252.6601 2.4E3 257.1680 2.5E3 261.1592 4.7E3 266.1690 2.9E3 269.9125 3.1E3 271.0599 2.3E3 272.1600 1.2E4 273.1640 3.7E3 274.6137 2.4E3 285.2610 2.4E3 290.1701 2.6E3 293.4436 2.4E3 303.1700 1.5E5 304.1732 2.8E4 305.1764 4.0E3 312.8865 2.8E3 318.2532 2.5E3 320.1958 5.0E3 321.0673 2.5E3 330.1805 1.9E4 331.1845 3.5E3 344.1963 6.1E4 345.1994 1.1E4 348.1911 9.8E3 349.1937 3.8E3 353.6605 2.8E3 362.2069 2.0E4 363.2106 4.6E3 373.2082 1.5E4 374.2106 2.5E3 391.2184 3.1E4 391.2316 3.9E3 392.2222 7.3E3 408.7010 4.1E3 417.2488 3.5E3 419.2284 3.3E4 420.2317 1.3E4 422.2435 1.6E4 423.2466 6.4E3 433.2800 4.0E3 439.7025 4.3E4 440.2043 1.8E4 443.2646 2.8E4 444.2679 8.7E3 449.4730 3.0E3 449.5701 3.1E3 449.8745 3.2E3 450.2383 2.1E5 451.2418 8.5E4 452.2440 1.3E4 461.2752 2.3E4 462.2780 3.2E3 507.2601 4.0E4 508.2629 1.9E4 514.3020 9.1E3 515.3055 7.3E3 520.2764 1.4E4 521.2792 3.5E3 523.2916 1.0E4 524.2958 2.8E3 532.3132 3.2E4 533.2755 2.9E5 533.3154 1.6E4 534.2787 1.5E5 535.2814 2.2E4 538.2864 5.2E4 539.2896 1.8E4 540.2933 4.4E3 551.2861 1.6E5 552.2893 8.0E4 553.2928 1.9E4 555.5385 3.5E3 583.7120 3.8E3 604.3489 7.4E3 606.3292 2.6E4 607.3319 2.0E4 608.3338 4.5E3 615.7224 3.2E3 622.3590 8.8E3 623.3594 3.5E3 632.3439 5.8E5 633.3470 4.2E5 634.3494 1.2E5 650.3544 9.7E4 651.3696 1.3E5 652.3754 7.2E4 653.3762 1.9E4 661.3024 6.6E3 687.3168 7.2E3 703.3823 4.9E3 704.3846 6.0E3 721.3915 5.4E4 722.3940 4.6E4 723.3975 1.5E4 746.3538 1.0E4 772.3333 7.8E3 772.3704 7.0E3 777.3499 7.7E3 790.3443 2.9E5 791.3471 9.2E4 792.3514 9.0E3 795.1447 3.5E3 805.4337 3.7E3 816.3597 6.2E4 817.3640 2.3E4 822.4389 4.0E4 823.4429 3.5E4 824.4451 1.3E4 834.3707 9.1E5 835.3737 3.0E5 836.3773 2.9E4 840.4480 2.9E3 855.3227 3.5E3 860.3851 1.9E4 861.3883 9.0E3 878.3970 7.1E5 879.3998 2.8E5 880.4017 3.4E4 895.4310 3.0E3 898.6354 3.5E3 1108.7710 4.3E3 1130.7039 3.4E3 1188.4235 4.1E3 1197.4390 3.7E3 1369.9613 4.8E3 1487.4039 4.0E3 END IONS BEGIN IONS FEATURE_ID=287 PEPMASS=860.3914 SCANS=287 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 91.5082 2.4E3 644.2739 1.1E3 656.4387 1.0E3 687.3160 6.0E3 715.3104 1.5E3 731.3542 4.6E3 759.3458 1.2E4 772.3688 2.0E4 773.3695 1.9E3 796.3635 1.3E3 798.3507 6.7E3 816.3592 6.4E4 816.4019 2.5E3 817.3615 1.1E4 842.3746 1.1E4 843.3769 1.0E3 859.3904 2.6E3 860.3928 7.4E5 861.3959 1.1E5 END IONS BEGIN IONS FEATURE_ID=288 PEPMASS=861.4498 SCANS=288 RTINSECONDS=1123.396 CHARGE=1+ MSLEVEL=2 86.0968 1.1E4 130.0651 1.6E3 159.0916 3.7E4 160.0950 1.2E3 171.1129 1.4E3 253.0969 1.4E3 254.1494 1.7E3 266.1495 2.9E3 270.1231 7.7E3 272.1594 2.3E3 272.1749 1.1E3 290.1705 1.9E3 300.1700 3.9E3 303.1696 2.6E4 304.1732 1.0E3 345.2126 1.4E3 355.1973 2.1E3 369.1918 6.7E3 373.2076 3.6E3 383.2069 1.5E4 401.2025 1.7E3 401.2173 1.1E3 440.2281 1.9E3 443.2282 2.2E3 455.2280 1.1E4 456.2307 1.5E3 461.2537 4.7E3 482.2753 4.5E3 489.2490 1.3E4 490.2524 1.4E3 531.2915 1.4E3 541.2760 2.9E3 542.2601 2.0E3 553.3117 2.1E3 559.2866 1.5E4 560.2900 1.5E3 571.3232 1.1E3 572.2855 2.8E4 573.2864 3.9E3 590.2955 3.2E3 643.3597 2.5E3 644.3746 1.7E3 654.3598 3.3E3 671.3540 1.9E4 672.3709 2.6E4 673.3734 2.7E3 689.3636 1.3E3 691.3428 1.7E3 742.3902 4.6E3 762.3817 2.2E3 790.4116 1.7E3 833.4545 2.1E3 843.4384 4.5E3 860.4127 2.6E3 860.6126 1.1E3 861.4140 3.0E3 861.4482 8.2E3 END IONS BEGIN IONS FEATURE_ID=289 PEPMASS=864.4872 SCANS=289 RTINSECONDS=1296.809 CHARGE=1+ MSLEVEL=2 72.0811 2.3E3 86.0968 4.3E4 120.0806 1.1E4 171.1127 4.0E3 173.0918 2.5E3 183.1123 1.7E3 185.1279 1.8E3 190.1217 1.0E3 191.1026 1.6E3 204.1379 1.7E3 218.1172 2.4E3 231.1126 6.2E3 232.1330 1.8E4 233.1643 5.1E3 254.1484 1.1E3 261.1589 7.9E3 272.1598 8.1E3 286.1758 1.8E3 290.1700 5.3E3 302.1858 2.3E3 309.1915 1.6E3 327.2021 1.7E3 328.1860 2.1E3 330.1805 1.4E4 331.1845 1.4E3 331.2008 2.2E4 332.2045 1.3E3 344.1962 1.2E5 345.1994 5.9E3 345.2166 1.1E5 346.2200 7.6E3 355.1969 5.3E3 362.2061 4.0E3 369.2125 1.2E3 373.2072 1.2E4 373.2198 1.1E3 373.2240 1.1E3 387.2234 1.6E3 401.2018 2.8E3 401.2176 6.6E3 402.2208 1.0E3 415.2325 2.0E3 415.2697 7.2E3 419.2280 3.0E3 421.2082 1.1E3 433.2806 1.4E3 443.2643 2.0E4 444.2673 1.4E3 450.2710 1.6E3 457.2798 3.1E3 461.2740 1.6E3 463.2538 2.0E3 464.2898 3.7E3 468.2798 1.3E3 474.2696 1.1E3 478.2691 7.5E3 479.2721 1.2E3 484.2535 1.2E3 486.3065 1.8E3 492.2843 3.4E4 493.2880 4.1E3 502.2649 8.5E3 514.3018 1.1E4 516.2808 2.1E3 520.2758 2.9E4 521.2787 3.3E3 528.3177 2.4E3 532.3120 5.4E3 533.2740 1.7E3 534.2911 8.5E3 535.2933 2.1E3 548.2702 2.5E3 549.3073 1.5E3 557.3126 1.0E3 561.3059 2.1E4 562.3085 2.1E3 565.3366 1.1E3 575.3217 7.9E4 576.3253 1.1E4 579.3165 1.3E3 587.3530 1.2E3 588.3382 1.1E3 593.3315 9.9E3 597.3395 2.3E3 605.3650 8.9E3 606.3685 1.5E3 615.3480 1.6E4 616.3525 1.3E3 619.3806 1.9E3 629.3641 3.2E3 632.3431 1.5E3 633.3594 1.0E5 634.3620 1.4E4 646.3955 8.8E3 647.3748 2.0E4 647.3983 1.0E3 648.3765 4.0E3 660.3737 1.2E3 674.3898 6.7E4 675.3928 1.3E4 680.3642 1.1E3 691.4178 1.2E3 692.3995 3.5E3 694.3793 6.4E3 745.4268 1.3E4 746.4304 1.9E3 751.4000 1.5E3 763.4383 4.1E3 764.4407 1.0E3 765.4164 4.7E3 765.4505 1.5E3 793.4480 4.9E3 819.4634 1.0E3 820.4681 1.3E3 836.4901 8.8E3 837.4899 1.3E3 846.4741 1.4E4 847.4777 2.6E3 864.4861 2.0E4 865.4199 1.1E3 865.4898 4.0E3 END IONS BEGIN IONS FEATURE_ID=290 PEPMASS=865.4444 SCANS=290 RTINSECONDS=1123.396 CHARGE=1+ MSLEVEL=2 86.0968 8.7E3 146.0599 1.9E3 274.1179 5.7E3 303.1697 1.1E4 304.1649 7.0E3 355.1962 1.1E3 369.1912 1.3E3 373.1864 3.5E3 373.2079 1.4E3 387.2022 8.5E3 427.1971 1.1E3 444.2231 1.4E3 468.2596 1.2E3 486.2699 1.5E3 493.2437 2.4E3 528.2430 1.1E3 545.2715 2.3E3 546.2544 1.5E3 557.3085 1.4E3 558.2701 1.6E3 563.2812 8.9E3 564.2849 1.3E3 576.2806 2.2E4 577.2822 2.4E3 594.2911 1.7E3 647.3538 2.1E3 657.3387 2.0E3 658.3557 1.9E3 675.3487 1.3E4 676.3658 1.9E4 677.3673 2.7E3 746.3868 3.5E3 766.3752 1.4E3 837.4478 2.0E3 847.4327 4.0E3 865.4442 9.4E3 866.4460 1.5E3 END IONS BEGIN IONS FEATURE_ID=291 PEPMASS=865.4813 SCANS=291 RTINSECONDS=1146.927 CHARGE=1+ MSLEVEL=2 86.0968 1.2E4 91.5081 3.1E3 120.0808 6.7E3 162.0917 1.2E3 187.1077 1.6E3 190.0860 1.4E3 231.1128 2.2E3 261.1595 2.3E3 270.1442 1.1E3 288.1542 1.1E3 301.1549 1.5E3 303.1698 7.0E4 304.1743 2.2E3 326.1705 1.3E3 330.1806 1.4E4 332.1596 1.2E3 343.1977 1.5E3 344.1962 2.2E4 345.1994 1.5E3 348.1910 1.9E3 353.1807 4.1E3 354.1655 4.3E3 362.2065 1.3E3 371.1917 6.8E3 399.2030 1.2E3 415.2702 1.4E3 417.2122 6.8E3 422.2437 5.9E3 443.2649 1.0E4 444.2665 1.0E3 445.2437 2.0E3 448.2219 1.9E3 450.2381 4.9E4 451.2417 4.4E3 461.2755 1.5E3 466.2334 2.0E3 482.2390 1.1E3 490.2657 1.2E3 500.2496 6.7E3 502.2652 7.6E3 507.2595 2.7E3 512.2863 1.5E3 518.2599 4.1E4 519.2635 3.3E3 530.2952 5.9E3 531.2590 3.0E3 533.2748 8.1E4 534.2777 8.8E3 549.2699 2.3E3 551.2856 1.4E4 552.2879 1.7E3 603.3495 2.4E3 604.3508 1.7E3 606.3265 2.7E3 613.3337 1.2E4 614.3371 1.9E3 630.3282 3.4E3 631.3439 9.3E4 632.3434 1.2E5 633.3457 1.5E4 634.3218 4.9E3 648.3387 3.5E3 650.3539 6.5E3 701.3635 3.3E3 719.3749 1.1E4 720.3742 1.2E3 721.3536 4.5E3 733.3900 1.3E3 775.4007 1.0E3 792.4270 4.2E3 802.4128 1.6E4 803.4149 2.7E3 820.4227 2.1E4 821.4275 4.0E3 864.4027 1.4E3 865.4022 1.2E3 END IONS BEGIN IONS FEATURE_ID=292 PEPMASS=865.4821 SCANS=292 RTINSECONDS=1228.317 CHARGE=1+ MSLEVEL=2 74.0966 1.9E3 86.0965 5.3E3 120.0804 3.1E3 231.1124 1.4E3 303.1695 3.1E3 319.1647 3.1E4 320.1682 2.3E3 330.1805 4.5E3 338.1699 1.3E3 344.1962 5.5E3 345.2170 2.2E3 355.1968 5.3E3 401.2178 2.8E3 438.2373 2.1E3 443.2648 2.0E3 450.2377 1.6E3 466.2329 2.2E4 467.2369 2.0E3 492.2845 1.6E3 502.2650 2.8E4 503.2693 1.8E3 514.3018 2.7E3 518.2606 1.5E3 523.2538 1.8E3 533.2745 2.5E3 549.2696 4.0E4 550.2729 4.6E3 567.2802 9.0E3 575.3217 2.1E3 576.3238 1.3E3 615.3489 1.5E4 616.3524 1.8E3 620.3434 1.1E3 622.3226 1.5E3 631.3437 2.2E3 632.3434 3.1E3 648.3380 6.0E4 649.3411 8.0E3 650.3177 3.1E3 666.3488 4.2E3 674.3900 2.6E3 675.3937 1.6E3 719.3757 6.6E3 749.3878 1.2E3 784.3331 2.5E3 785.3361 1.7E3 792.4271 2.1E3 802.4113 2.0E3 820.4222 8.3E3 821.4258 1.7E3 828.3584 1.4E3 847.6021 1.2E3 865.4207 3.4E4 865.6134 1.3E3 866.4235 7.7E3 END IONS BEGIN IONS FEATURE_ID=293 PEPMASS=865.4814 SCANS=293 RTINSECONDS=1241.738 CHARGE=1+ MSLEVEL=2 74.0966 1.9E3 86.0965 5.3E3 120.0804 3.1E3 231.1124 1.4E3 303.1695 3.1E3 319.1647 3.1E4 320.1682 2.3E3 330.1805 4.5E3 338.1699 1.3E3 344.1962 5.5E3 345.2170 2.2E3 355.1968 5.3E3 401.2178 2.8E3 438.2373 2.1E3 443.2648 2.0E3 450.2377 1.6E3 466.2329 2.2E4 467.2369 2.0E3 492.2845 1.6E3 502.2650 2.8E4 503.2693 1.8E3 514.3018 2.7E3 518.2606 1.5E3 523.2538 1.8E3 533.2745 2.5E3 549.2696 4.0E4 550.2729 4.6E3 567.2802 9.0E3 575.3217 2.1E3 576.3238 1.3E3 615.3489 1.5E4 616.3524 1.8E3 620.3434 1.1E3 622.3226 1.5E3 631.3437 2.2E3 632.3434 3.1E3 648.3380 6.0E4 649.3411 8.0E3 650.3177 3.1E3 666.3488 4.2E3 674.3900 2.6E3 675.3937 1.6E3 719.3757 6.6E3 749.3878 1.2E3 784.3331 2.5E3 785.3361 1.7E3 792.4271 2.1E3 802.4113 2.0E3 820.4222 8.3E3 821.4258 1.7E3 828.3584 1.4E3 847.6021 1.2E3 865.4207 3.4E4 865.6134 1.3E3 866.4235 7.7E3 END IONS BEGIN IONS FEATURE_ID=294 PEPMASS=867.4062 SCANS=294 RTINSECONDS=1043.746 CHARGE=2+ MSLEVEL=2 120.0805 2.6E3 173.0917 1.1E3 191.1021 1.5E3 201.1233 1.1E3 231.1118 1.8E3 249.1228 1.2E3 261.1594 1.6E3 272.1599 3.2E3 303.1699 3.6E4 304.1735 6.2E3 305.1759 1.3E3 320.1965 1.3E3 330.1809 6.1E3 344.1963 1.6E4 345.1996 2.6E3 348.1908 1.9E3 362.2068 4.6E3 373.2076 3.4E3 389.2541 1.2E3 391.2178 4.5E3 415.2698 1.1E3 419.2285 7.1E3 420.2328 1.6E3 422.2429 4.4E3 433.2806 2.2E3 439.7027 1.2E3 443.2645 6.3E3 444.2682 1.6E3 450.2384 5.0E4 451.2417 1.5E4 461.2762 5.1E3 462.2778 1.3E3 505.2806 1.1E3 507.2594 8.1E3 508.2634 2.0E3 512.1588 1.3E3 514.3021 2.7E3 520.2760 2.2E3 523.2917 2.1E3 524.2941 1.2E3 532.3120 6.3E3 533.2755 8.1E4 534.1916 1.4E3 534.2786 2.2E4 535.1991 1.4E3 535.2808 3.0E3 538.2864 1.3E4 539.2901 3.0E3 551.2861 4.4E4 552.2897 1.1E4 553.2939 1.5E3 555.2131 1.1E3 578.2057 2.6E3 578.3333 1.1E3 604.3486 1.3E3 606.3278 7.3E3 607.3311 2.4E3 632.2553 1.9E3 632.3439 1.5E5 633.2584 1.3E3 633.3463 4.6E4 634.3491 7.8E3 650.3546 2.6E4 651.3729 2.8E4 652.3748 9.0E3 653.3784 1.4E3 660.2479 3.1E3 676.2778 1.3E3 677.2739 1.1E4 678.2764 3.6E3 696.2811 1.0E3 703.2900 3.2E3 703.3810 2.2E3 704.2960 1.5E3 718.2651 3.6E3 721.3918 1.3E4 722.3939 5.1E3 731.2838 3.1E3 744.2801 1.3E3 744.3166 1.2E3 745.2825 1.1E3 747.2988 2.2E3 748.2873 1.1E3 749.2950 5.8E4 750.2983 2.6E4 751.2980 3.4E3 761.3195 1.2E4 762.2901 1.9E3 762.3242 6.1E3 763.2925 1.8E3 763.3258 1.7E3 775.3124 3.8E3 776.3142 1.6E3 787.2993 3.2E3 787.3348 1.1E4 788.3055 1.3E4 788.3392 9.3E3 789.3099 3.5E3 793.3219 2.3E4 794.3250 1.1E4 795.3289 2.5E3 804.3203 2.8E3 805.3092 4.3E4 805.3453 2.7E3 806.3154 5.5E4 807.2802 1.5E3 807.3187 1.5E4 808.3171 4.3E3 819.3274 2.0E3 820.3265 1.2E3 822.4391 1.1E4 823.4434 4.6E3 830.3380 1.1E3 831.3254 1.3E4 831.3633 1.9E3 832.3309 2.1E4 832.3687 1.6E3 833.3356 5.5E3 834.3713 1.7E3 837.2972 1.5E3 838.3038 1.5E3 847.3434 1.3E3 848.3505 3.6E3 849.3366 4.8E4 850.3425 8.8E4 851.3455 2.4E4 852.3444 6.8E3 858.3468 1.7E3 866.4429 5.7E4 867.4458 1.6E4 875.3516 4.8E3 876.3588 2.3E4 877.3617 8.1E3 892.3742 2.5E3 893.3636 1.7E4 894.3688 5.2E4 895.3719 1.8E4 896.3744 3.8E3 1012.3980 1.1E3 1369.8292 1.1E3 END IONS BEGIN IONS FEATURE_ID=295 PEPMASS=867.4964 SCANS=295 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 86.0951 1.2E3 86.0967 7.1E3 91.5082 1.7E3 120.0807 7.0E3 201.1230 2.0E3 221.1281 1.3E3 249.1227 2.5E3 272.1600 8.6E3 303.1698 6.0E4 304.1729 1.8E3 320.1962 1.0E3 330.1805 7.1E3 334.2118 1.1E3 344.1961 1.5E4 348.1909 4.5E3 355.1964 1.3E3 362.2068 6.1E3 365.1524 5.1E3 366.1562 1.8E3 367.2331 1.5E3 373.2073 6.4E3 374.2082 1.1E3 378.1472 2.0E3 385.2439 1.1E3 389.2535 1.5E3 391.2332 2.6E3 401.2175 2.5E3 415.2693 1.3E3 417.2485 1.9E3 419.2279 2.6E4 420.2314 2.6E3 422.2432 8.1E3 433.2804 2.3E3 443.2641 6.7E3 450.2379 9.6E4 451.2415 9.4E3 461.2749 5.1E3 502.2657 2.7E3 503.2688 1.1E3 504.3174 3.2E3 505.2802 2.0E3 507.2591 1.2E4 508.2639 1.8E3 512.2195 1.5E3 514.3016 1.1E4 520.2757 1.3E4 521.2784 1.3E3 523.2910 3.6E3 532.3121 2.4E4 533.2750 1.1E5 534.2780 1.2E4 551.2855 7.9E4 552.2886 8.1E3 595.2575 3.0E3 596.2613 1.8E3 604.3480 2.7E3 606.3279 1.3E4 607.3320 1.4E3 615.3500 2.7E3 622.3580 1.9E3 632.3431 2.6E5 633.3484 1.9E4 633.3583 2.5E4 634.3643 4.0E3 649.3000 2.5E3 650.3536 4.6E4 651.3571 6.3E3 669.3967 3.2E3 677.3638 1.9E3 694.3241 1.1E3 695.3286 1.2E3 703.3799 7.7E3 704.3826 1.3E3 721.3907 3.8E4 722.3946 6.0E3 752.4689 2.3E3 803.3724 1.3E3 804.4283 2.3E3 805.3199 1.4E3 822.3761 1.4E4 823.3351 1.3E3 823.3782 1.5E4 824.3827 1.5E3 848.3432 2.3E3 849.3452 3.9E3 860.3847 1.8E3 866.3594 1.2E3 866.4019 5.9E3 867.3577 2.4E3 867.4051 5.9E3 END IONS BEGIN IONS FEATURE_ID=296 PEPMASS=872.4524 SCANS=296 RTINSECONDS=1222.527 CHARGE=1+ MSLEVEL=2 828.4256 1.5E3 854.4413 1.3E3 872.4512 3.3E5 873.4544 4.8E4 END IONS BEGIN IONS FEATURE_ID=297 PEPMASS=874.4099 SCANS=297 RTINSECONDS=1167.954 CHARGE=1+ MSLEVEL=2 62.3570 1.1E3 91.5082 1.6E3 125.5798 1.1E3 131.1080 1.2E3 131.7178 1.0E3 148.5063 1.1E3 159.0961 1.2E3 169.0569 1.0E3 181.5045 1.1E3 184.6353 1.0E3 200.9919 1.0E3 202.1311 1.1E3 204.9089 1.1E3 394.4920 1.1E3 445.1703 1.1E3 508.0862 1.0E3 555.7405 1.2E3 561.2155 2.5E3 563.0255 1.1E3 641.0728 1.2E3 650.1368 1.3E3 666.4711 1.2E3 687.3172 4.2E3 700.0818 1.2E3 707.8121 1.2E3 740.4369 1.2E3 743.2886 1.2E3 743.9399 1.1E3 798.3442 1.4E3 800.3436 2.4E3 826.3233 1.5E3 830.3826 5.6E3 842.3996 1.1E3 843.3252 2.8E3 844.3304 5.7E3 856.3984 1.2E3 859.3892 1.3E3 873.3354 3.0E3 873.4063 1.3E3 874.4098 9.9E5 875.4128 1.6E5 END IONS BEGIN IONS FEATURE_ID=298 PEPMASS=876.4463 SCANS=298 RTINSECONDS=1091.252 CHARGE=1+ MSLEVEL=2 574.2833 1.3E3 777.3477 2.0E3 778.3521 3.1E3 788.3422 1.1E3 832.4207 8.7E3 858.4370 4.6E3 875.4349 2.2E3 875.7460 1.0E3 876.4459 1.7E6 877.1295 1.0E3 877.4490 2.7E5 END IONS BEGIN IONS FEATURE_ID=299 PEPMASS=878.5753 SCANS=299 RTINSECONDS=1875.637 CHARGE=1+ MSLEVEL=2 61.5430 1.1E3 63.9812 1.4E3 67.0548 1.0E3 70.5866 1.0E3 71.0861 1.2E3 74.0969 7.4E3 77.8064 1.1E3 79.0548 1.5E3 81.0704 3.3E3 83.0860 1.4E3 86.2068 1.0E3 89.9407 1.2E3 89.9421 1.2E3 91.5062 4.3E3 95.0858 1.9E3 106.0654 3.2E3 109.1014 2.5E3 111.1173 1.3E3 112.3001 1.1E3 122.0602 1.8E3 123.1169 2.0E3 134.0601 1.7E3 141.8587 1.1E3 152.0705 2.2E4 170.0813 2.4E3 184.0729 3.0E3 188.0915 2.1E4 192.9461 1.1E3 202.9493 1.0E3 206.1021 1.2E4 207.7462 1.1E3 220.0367 6.8E4 221.0408 1.4E3 239.2370 7.7E3 245.2259 1.6E3 250.0470 1.6E4 263.2367 6.0E3 268.0576 3.1E4 286.0679 4.2E4 287.0712 1.3E3 304.0786 5.0E4 313.2730 1.5E3 319.2632 3.0E3 325.8973 1.2E3 337.2729 2.4E3 365.2044 1.2E3 394.4719 1.2E3 420.6795 1.3E3 449.1236 1.4E3 485.1754 1.2E3 508.9092 1.3E3 516.3301 1.4E3 522.6910 1.2E3 532.3036 6.9E3 538.2927 3.2E3 562.3101 1.8E3 575.5026 1.2E6 576.5056 1.5E5 589.6591 1.2E3 600.8788 1.2E3 615.3485 1.9E3 646.2037 1.1E3 660.3738 1.6E3 778.7426 1.3E3 794.5318 5.7E4 795.5348 1.0E4 821.4329 1.3E3 824.5439 5.4E3 842.5522 1.3E4 843.5581 2.3E3 859.6386 2.1E3 860.5637 5.0E3 860.6427 1.7E3 861.5671 1.4E3 861.6523 4.1E3 877.6520 2.0E3 878.4631 1.6E3 878.5755 5.0E3 878.6835 1.8E3 879.6653 2.0E3 END IONS BEGIN IONS FEATURE_ID=300 PEPMASS=880.4439 SCANS=300 RTINSECONDS=1018.679 CHARGE=1+ MSLEVEL=2 86.0969 1.8E3 120.0806 1.7E3 272.1599 4.1E3 303.1700 1.6E4 330.1803 1.5E3 344.1965 3.6E3 348.1915 1.1E3 362.2065 1.8E3 401.2174 1.4E3 419.2280 9.1E3 422.2431 1.6E3 431.2132 1.7E3 443.2648 1.2E3 450.2380 2.0E4 451.2409 1.5E3 504.3168 2.5E3 507.2584 2.1E3 514.3015 4.9E3 532.3118 8.4E3 533.2750 1.7E4 534.2776 1.6E3 551.2857 1.4E4 552.2887 1.6E3 576.5053 2.2E3 578.2819 4.9E3 604.3472 1.0E3 606.3276 1.7E3 632.3433 3.2E4 633.3474 4.3E3 650.3538 6.2E3 691.3646 1.3E4 692.3687 2.2E3 703.3804 2.8E3 721.3916 5.2E3 722.3929 1.0E3 798.3159 2.0E3 799.3174 1.1E3 842.3401 1.5E3 843.3453 1.1E3 END IONS BEGIN IONS FEATURE_ID=301 PEPMASS=880.4444 SCANS=301 RTINSECONDS=1032.417 CHARGE=1+ MSLEVEL=2 86.0969 1.8E3 120.0806 1.7E3 272.1599 4.1E3 303.1700 1.6E4 330.1803 1.5E3 344.1965 3.6E3 348.1915 1.1E3 362.2065 1.8E3 401.2174 1.4E3 419.2280 9.1E3 422.2431 1.6E3 431.2132 1.7E3 443.2648 1.2E3 450.2380 2.0E4 451.2409 1.5E3 504.3168 2.5E3 507.2584 2.1E3 514.3015 4.9E3 532.3118 8.4E3 533.2750 1.7E4 534.2776 1.6E3 551.2857 1.4E4 552.2887 1.6E3 576.5053 2.2E3 578.2819 4.9E3 604.3472 1.0E3 606.3276 1.7E3 632.3433 3.2E4 633.3474 4.3E3 650.3538 6.2E3 691.3646 1.3E4 692.3687 2.2E3 703.3804 2.8E3 721.3916 5.2E3 722.3929 1.0E3 798.3159 2.0E3 799.3174 1.1E3 842.3401 1.5E3 843.3453 1.1E3 END IONS BEGIN IONS FEATURE_ID=302 PEPMASS=880.4442 SCANS=302 RTINSECONDS=1063.296 CHARGE=1+ MSLEVEL=2 86.0967 2.3E3 120.0809 1.7E3 272.1600 4.0E3 303.1699 1.6E4 330.1808 1.4E3 344.1962 3.3E3 348.1915 1.6E3 362.2068 1.6E3 401.2179 1.2E3 419.2283 8.7E3 422.2421 1.8E3 431.2125 1.9E3 443.2646 1.3E3 450.2379 1.9E4 451.2417 1.9E3 504.3168 1.5E3 507.2600 3.2E3 514.3010 6.0E3 532.3121 8.8E3 533.2745 1.7E4 533.3151 1.3E3 534.2779 1.7E3 551.2856 1.3E4 552.2885 1.6E3 575.5024 1.0E3 576.5056 3.7E3 577.5089 1.3E3 578.2813 4.6E3 606.3279 1.4E3 632.3432 3.2E4 633.3472 4.3E3 650.3533 5.9E3 651.3556 1.1E3 691.3649 1.4E4 692.3676 2.4E3 703.3801 3.2E3 721.3912 4.4E3 760.3994 1.2E4 761.4028 2.3E3 879.4069 1.2E3 END IONS BEGIN IONS FEATURE_ID=303 PEPMASS=889.4807 SCANS=303 RTINSECONDS=1020.659 CHARGE=1+ MSLEVEL=2 63.3540 1.2E3 64.4993 1.2E3 64.9385 1.4E3 68.0147 1.3E3 70.0656 1.3E4 72.9291 1.3E3 73.7226 1.2E3 78.4513 1.3E3 78.5003 1.4E3 82.7215 1.5E3 89.0831 1.3E3 92.7575 1.5E3 93.8634 1.6E3 93.9039 1.2E3 99.2429 1.5E3 103.6630 1.5E3 105.5915 1.4E3 120.7376 4.2E3 125.0296 1.3E3 126.0727 1.4E3 133.5730 1.5E3 136.0759 1.8E3 142.1853 1.4E3 151.3540 1.4E3 152.3328 1.4E3 155.0815 4.2E3 162.2222 1.5E3 164.9827 1.5E3 165.3199 1.5E3 166.7657 1.7E3 168.9031 1.4E3 174.8695 1.6E3 212.2806 1.9E3 217.1337 2.9E4 222.4716 1.7E3 229.1544 7.6E4 229.3866 1.8E3 230.1574 2.7E3 234.6112 1.5E3 235.1440 4.7E3 239.0950 2.3E3 242.8950 1.7E3 245.1281 5.5E4 246.1321 2.0E3 248.9381 1.6E3 252.1337 4.6E3 253.3268 1.5E3 258.1460 4.5E3 263.1386 2.7E4 270.1439 2.0E3 286.1755 2.1E4 298.8119 1.6E3 333.1003 1.5E3 337.2228 4.6E3 342.1808 4.3E3 344.1964 4.2E3 355.0693 3.9E3 359.0273 4.2E3 360.1910 5.0E4 361.1952 2.1E3 365.1835 2.5E3 365.2179 1.0E4 366.2632 1.8E3 382.2152 2.3E3 383.2283 1.1E6 384.2317 5.2E4 384.6977 1.6E3 399.2020 3.7E4 400.2061 2.5E3 408.1915 6.2E3 408.7244 1.5E3 417.2119 4.1E3 429.0868 4.0E3 441.2491 3.2E3 479.2649 2.5E4 505.1389 1.4E3 507.2597 3.4E4 508.2624 3.2E3 514.2656 2.6E3 530.2961 2.7E4 576.3163 7.1E3 577.2228 1.7E3 604.3117 2.4E4 605.3152 2.0E3 609.3382 7.9E3 627.3490 5.9E5 628.3522 6.7E4 633.3384 5.5E3 643.3231 2.7E3 644.0996 1.5E3 661.3336 4.6E4 662.3375 8.9E3 709.0700 1.6E3 758.3848 3.5E3 790.4126 3.8E4 791.4122 4.7E3 871.4708 1.0E4 872.4736 3.0E3 889.4805 2.5E5 890.4841 4.6E4 END IONS BEGIN IONS FEATURE_ID=304 PEPMASS=893.3608 SCANS=304 RTINSECONDS=1045.655 CHARGE=1+ MSLEVEL=2 470.1605 1.0E3 512.1575 1.3E3 534.1910 1.1E3 578.2049 2.4E3 632.2527 2.0E3 633.2574 2.5E3 660.2460 1.4E3 677.2734 8.7E3 678.2748 1.2E3 703.2872 1.1E3 704.2956 1.2E3 718.2645 3.7E3 731.2813 1.2E3 744.2781 1.1E3 749.2944 3.4E4 750.2967 4.8E3 761.3190 1.0E4 762.2883 2.2E3 762.3232 1.1E3 775.3063 1.8E3 787.2977 2.5E3 787.3334 7.2E3 788.3044 2.4E3 788.3389 1.8E3 793.3200 7.7E3 804.3195 1.6E3 805.3089 1.9E4 806.3153 1.2E4 831.3235 3.7E3 832.3295 3.9E3 837.2945 1.4E3 837.3334 1.1E3 849.3375 8.0E3 850.3416 8.6E3 876.3574 1.4E3 892.4380 2.2E3 893.4434 1.3E3 894.4011 3.5E3 END IONS BEGIN IONS FEATURE_ID=305 PEPMASS=895.5266 SCANS=305 RTINSECONDS=1146.927 CHARGE=1+ MSLEVEL=2 72.0812 1.0E3 73.0763 1.5E3 74.0969 6.1E5 75.1003 3.6E3 86.0969 5.8E3 120.0808 1.9E3 123.3322 1.0E3 171.1125 1.4E3 272.1600 2.0E3 290.1703 1.9E3 303.1696 3.1E4 304.1728 2.6E3 330.1810 3.5E3 330.9686 1.0E3 344.1961 1.3E4 345.2001 1.1E3 345.2131 1.3E3 345.4806 1.0E3 355.1962 1.9E3 373.2075 5.2E3 415.2693 1.0E3 422.2432 1.8E3 443.2639 3.1E3 450.2380 2.2E4 451.2417 2.6E3 486.7490 1.0E3 502.2651 4.4E3 503.2693 1.2E3 514.3030 1.5E3 518.2597 1.3E3 520.2754 2.3E4 521.2793 3.3E3 533.2748 4.5E4 534.2781 6.7E3 551.2863 6.2E3 552.2900 1.0E3 562.2230 1.2E3 615.3494 3.6E3 616.3535 1.1E3 632.3432 5.2E4 633.3607 5.2E4 634.3635 6.8E3 641.7568 1.0E3 648.2345 1.0E3 650.3540 7.3E3 661.3005 4.3E3 687.3159 3.1E3 703.3804 6.2E3 704.3810 1.9E3 721.3916 3.9E3 723.3699 2.7E3 723.3994 1.1E3 751.4009 2.7E3 772.3321 4.9E3 787.2968 2.5E3 787.3344 1.6E3 794.4429 6.6E3 795.4441 1.1E3 804.4283 1.2E4 805.4307 2.6E3 816.3598 4.5E3 822.4382 5.2E4 823.4408 1.0E4 831.3218 1.2E3 895.5275 7.1E3 END IONS BEGIN IONS FEATURE_ID=306 PEPMASS=899.5237 SCANS=306 RTINSECONDS=1093.164 CHARGE=1+ MSLEVEL=2 86.0946 1.5E3 86.0967 1.3E4 120.0807 9.4E3 132.4359 1.1E3 134.0811 2.4E3 187.1075 9.4E3 201.1232 2.4E3 205.1184 8.4E3 231.1123 5.1E3 233.1644 1.4E3 249.1225 4.4E3 261.1591 2.8E3 272.1600 9.7E3 276.1703 2.1E3 286.1758 8.6E3 303.1699 1.3E5 304.1732 5.2E3 304.1865 2.7E3 318.1802 1.7E3 320.1963 3.0E3 330.1804 1.7E4 331.1843 1.2E3 334.2125 1.9E3 344.1962 4.5E4 345.1996 2.2E3 348.1908 7.0E3 362.2064 1.4E4 363.2095 1.0E3 367.2332 1.1E3 385.2432 1.6E3 387.2231 1.6E4 389.2541 3.8E3 391.2329 2.3E3 401.2172 3.5E3 405.2339 1.2E4 406.2370 1.0E3 415.2696 2.2E3 417.2485 3.2E3 419.2281 3.4E4 420.2320 2.4E3 422.2428 1.4E4 423.2451 1.4E3 433.2799 6.1E3 443.2646 1.9E4 444.2679 1.7E3 450.2380 1.9E5 451.2414 1.6E4 461.2748 1.3E4 462.2800 1.3E3 488.2859 1.1E3 504.3167 3.3E3 505.2809 2.5E3 507.2596 3.4E4 508.2626 3.7E3 514.3016 1.2E4 515.2646 1.0E3 515.3050 1.8E3 523.2904 9.7E3 532.3123 2.6E4 533.2750 3.1E5 534.2761 2.4E4 534.2948 2.8E3 551.2853 1.5E5 552.2855 6.2E3 552.3052 2.4E4 553.3049 2.2E3 578.3329 2.3E3 604.3481 6.9E3 606.3275 2.4E4 607.3301 3.9E3 622.3589 3.7E3 632.3432 5.5E5 633.3459 7.2E4 633.3788 1.0E3 647.3748 1.1E4 648.3788 1.4E3 650.3536 6.8E4 651.3565 1.1E4 665.3856 7.8E4 666.3885 9.8E3 677.3640 1.7E3 703.3801 8.4E3 704.3820 1.7E3 721.3903 3.6E4 722.3942 7.4E3 818.4424 1.7E3 836.4538 4.9E4 837.4574 8.5E3 854.4636 3.5E3 END IONS BEGIN IONS FEATURE_ID=307 PEPMASS=899.5240 SCANS=307 RTINSECONDS=1123.396 CHARGE=1+ MSLEVEL=2 86.0969 1.4E3 205.1178 1.1E3 272.1601 1.0E3 303.1694 1.0E4 330.1807 1.6E3 344.1964 3.7E3 362.2066 1.0E3 405.2338 1.6E3 419.2281 2.8E3 443.2649 1.8E3 450.2380 1.6E4 461.2753 1.2E3 507.2592 2.4E3 532.3112 2.3E3 533.2748 2.4E4 534.2776 3.1E3 551.2853 1.3E4 552.3048 1.9E3 606.3278 1.8E3 632.3432 4.4E4 633.3460 6.8E3 647.3731 1.1E3 650.3536 6.0E3 651.3560 1.1E3 665.3853 6.8E3 721.3905 3.9E3 836.4537 3.4E3 837.4579 1.0E3 899.4034 1.2E3 END IONS BEGIN IONS FEATURE_ID=308 PEPMASS=904.5910 SCANS=308 RTINSECONDS=1871.72 CHARGE=1+ MSLEVEL=2 81.0702 1.3E3 101.0713 2.9E3 106.0654 1.0E3 152.0707 1.1E4 188.0916 7.6E3 206.1025 5.1E3 220.0368 2.7E4 250.0470 5.3E3 263.2367 3.0E3 265.2523 3.5E3 268.0574 1.2E4 286.0681 1.6E4 304.0787 1.8E4 319.2629 1.6E3 337.2732 1.2E3 558.3176 1.6E3 599.5024 1.6E3 600.5050 4.9E3 601.5181 4.4E5 602.5214 6.0E4 615.3504 1.2E3 632.3435 1.1E3 784.3981 2.5E3 785.4017 1.0E3 820.5471 2.1E4 821.5505 4.6E3 850.5572 2.9E3 868.5688 5.0E3 869.5699 1.2E3 886.5777 1.8E3 887.6702 2.4E3 903.6628 2.6E3 904.5900 1.7E3 904.6674 1.8E3 905.6829 2.0E3 END IONS BEGIN IONS FEATURE_ID=309 PEPMASS=905.4762 SCANS=309 RTINSECONDS=1247.735 CHARGE=1+ MSLEVEL=2 86.0968 2.3E4 86.0985 1.1E3 120.0808 1.1E4 183.1124 1.0E3 184.0732 1.1E3 203.1027 2.5E3 220.0366 1.7E3 231.1125 4.6E3 233.1648 1.3E3 261.1591 1.9E3 272.1602 1.2E3 274.1390 6.2E3 275.1750 1.3E3 302.1861 3.1E3 303.1699 8.2E4 304.1732 4.0E3 328.1868 1.1E3 330.1805 1.2E4 344.1960 2.5E4 345.1995 1.6E3 355.0691 1.5E3 355.1972 1.0E3 362.2062 1.0E3 373.2073 3.1E3 401.2173 7.3E3 415.2695 4.0E3 419.2284 2.3E3 422.2434 4.1E3 428.2492 3.8E3 429.0881 1.8E3 438.2339 2.0E3 439.2179 1.2E3 443.2644 8.7E3 450.2379 2.2E4 451.2415 1.9E3 456.2444 2.7E4 457.2482 1.6E3 484.2396 1.2E3 514.3018 5.4E3 532.3129 1.6E3 533.2750 5.7E4 534.2782 5.5E3 550.3020 1.2E3 551.2843 4.6E3 575.3174 2.0E3 585.3021 2.6E3 601.5174 1.5E4 602.5215 1.0E4 603.3127 5.4E4 604.3161 6.0E3 604.3486 1.1E4 605.3514 1.0E3 632.3433 3.2E4 633.3452 4.0E3 650.3540 2.5E3 688.4022 2.4E3 698.3855 2.3E3 703.3800 9.6E3 704.3839 1.4E3 716.3965 8.9E4 717.3998 1.1E4 732.3246 1.1E3 806.4064 1.8E3 816.3369 1.9E3 817.3375 1.6E3 860.3595 1.6E3 861.3643 1.3E3 877.4805 5.9E3 878.4822 1.2E3 887.4659 6.3E3 905.4759 1.3E4 906.4813 2.4E3 END IONS BEGIN IONS FEATURE_ID=310 PEPMASS=916.4557 SCANS=310 RTINSECONDS=1115.079 CHARGE=1+ MSLEVEL=2 72.0811 1.4E3 86.0968 2.5E4 91.5060 1.0E3 120.0807 9.1E3 231.1126 4.0E3 233.1646 4.2E3 261.1592 5.6E3 275.1744 1.6E3 285.1193 2.2E3 303.1699 9.0E4 304.1730 4.6E3 330.1804 9.5E3 344.1963 2.1E4 345.1995 1.7E3 384.1869 9.1E3 401.2169 2.8E3 415.2690 1.1E3 422.2428 4.1E3 439.2287 2.9E3 443.2647 7.9E3 450.2381 1.7E4 451.2409 1.8E3 467.2244 1.1E4 495.2183 2.8E3 502.2648 1.2E3 514.3013 3.2E3 533.2749 3.0E4 534.2773 3.6E3 551.2855 1.3E3 586.2959 2.5E3 597.3387 1.1E3 604.3484 1.8E3 614.2922 3.2E4 615.2950 4.3E3 628.3074 2.0E3 632.3430 1.5E4 633.3466 2.4E3 642.2883 1.0E3 684.3713 1.9E3 699.3813 6.0E3 703.3802 1.3E3 727.3761 1.5E5 728.3790 1.8E4 746.3488 1.6E3 817.3842 1.4E3 888.4581 2.1E3 898.4446 2.7E3 916.4559 3.1E3 END IONS BEGIN IONS FEATURE_ID=311 PEPMASS=917.5132 SCANS=311 RTINSECONDS=1416.336 CHARGE=1+ MSLEVEL=2 67.5512 1.2E3 68.7544 1.3E3 72.0812 1.8E3 74.2215 1.4E3 77.9642 1.4E3 82.5677 1.4E3 86.0966 5.2E4 86.0985 2.9E3 91.5083 3.2E3 94.8380 1.4E3 112.4108 1.4E3 112.9412 1.5E3 113.1073 3.0E3 120.0805 5.8E3 129.2939 1.3E3 131.4025 1.4E3 148.1180 1.3E3 150.1576 1.4E3 162.4284 1.4E3 171.1127 3.0E3 184.7429 1.3E3 187.4283 1.2E3 190.0855 1.6E3 199.1799 2.4E3 201.1238 2.3E3 203.9865 1.3E3 224.4207 1.4E3 227.1755 1.3E4 231.1124 6.2E3 233.1645 5.4E3 239.0231 1.5E3 249.1241 2.0E3 254.1492 3.3E3 261.1594 2.5E3 262.5721 1.4E3 272.1602 3.0E3 275.1744 2.9E3 302.1852 1.7E3 303.1700 2.8E5 304.1735 1.1E4 309.1913 1.7E3 327.2008 2.3E3 330.1806 3.5E4 331.1844 2.7E3 332.1600 1.9E3 337.1868 2.9E3 338.1705 4.5E3 339.5907 1.5E3 344.1962 4.2E4 344.8600 1.4E3 355.1969 1.3E4 362.2070 1.7E3 367.2333 3.2E3 373.2223 3.0E3 374.2424 9.0E3 383.1918 5.7E3 385.1856 2.6E3 388.2589 3.3E4 389.2628 2.0E3 401.2177 1.9E4 403.1974 1.8E3 409.2799 4.1E3 409.8315 1.5E3 413.2173 3.9E3 415.2696 4.4E3 416.2537 4.9E5 417.2570 3.2E4 431.2274 1.0E4 432.2332 1.5E3 443.2645 1.7E4 445.2432 2.5E3 449.6562 1.6E3 450.2693 1.5E3 451.2554 2.7E3 457.2432 1.4E3 457.2798 2.5E4 461.2761 3.6E3 474.2704 6.2E3 475.2917 3.4E3 480.3173 5.9E3 484.2548 7.3E3 486.3073 2.3E3 502.2652 9.9E4 503.2684 7.0E3 514.3016 1.9E4 526.3017 2.7E3 528.3174 4.0E3 528.3546 2.8E3 532.3119 1.5E3 544.3118 2.7E3 556.3483 1.6E4 558.3272 2.6E3 563.3216 1.2E5 564.3240 1.3E4 574.3594 7.9E3 582.3657 2.7E3 587.3537 4.2E3 597.3392 7.9E3 598.3218 1.9E3 599.3909 2.7E3 611.3533 2.1E3 612.3740 1.4E3 615.3490 7.4E4 616.3511 8.6E3 620.3440 4.5E3 627.3853 3.2E4 628.3906 3.1E3 640.3695 3.2E3 646.3588 1.5E5 647.3620 1.6E4 657.3959 3.0E3 664.3699 1.1E4 683.4119 1.6E3 700.4377 7.2E3 710.4236 9.9E3 711.4061 4.4E3 717.4318 9.9E3 728.4331 2.3E5 729.4362 3.2E4 731.8832 1.5E3 745.4273 1.1E5 746.4298 1.4E4 747.4044 7.3E3 816.4636 1.9E4 818.4418 3.0E3 834.8949 1.9E3 848.3480 1.7E3 899.5015 4.3E3 917.5119 6.3E3 END IONS BEGIN IONS FEATURE_ID=312 PEPMASS=917.5127 SCANS=312 RTINSECONDS=1437.835 CHARGE=1+ MSLEVEL=2 86.0969 6.3E3 113.1077 3.4E3 227.1756 1.3E3 303.1701 3.1E4 304.1736 1.6E3 330.1811 4.4E3 344.1964 5.3E3 355.1972 2.2E3 383.1916 1.1E3 388.2592 4.3E3 401.2180 2.6E3 416.2539 5.2E4 417.2576 4.3E3 431.2289 1.1E3 443.2654 1.5E3 457.2814 2.3E3 502.2654 9.2E3 514.3005 2.2E3 556.3478 2.1E3 563.3218 1.4E4 564.3251 1.3E3 615.3495 9.4E3 616.3522 1.3E3 627.3859 3.9E3 646.3591 1.6E4 647.3621 1.5E3 664.3696 1.7E3 717.4308 1.2E3 728.4332 2.7E4 729.4367 3.1E3 745.4278 1.3E4 746.4292 1.3E3 816.4642 2.1E3 END IONS BEGIN IONS FEATURE_ID=313 PEPMASS=918.8126 SCANS=313 RTINSECONDS=2152.295 CHARGE=1+ MSLEVEL=2 89.0601 1.2E3 99.0808 1.1E3 101.0713 1.5E3 115.0756 1.2E3 117.0911 2.6E3 133.0858 1.1E3 175.1329 1.5E3 233.1748 1.2E3 577.5176 3.7E3 591.4980 4.1E3 617.5131 8.9E3 618.5162 1.1E3 END IONS BEGIN IONS FEATURE_ID=314 PEPMASS=918.8120 SCANS=314 RTINSECONDS=2160.786 CHARGE=1+ MSLEVEL=2 89.0601 1.2E3 99.0808 1.1E3 101.0713 1.5E3 115.0756 1.2E3 117.0911 2.6E3 133.0858 1.1E3 175.1329 1.5E3 233.1748 1.2E3 577.5176 3.7E3 591.4980 4.1E3 617.5131 8.9E3 618.5162 1.1E3 END IONS BEGIN IONS FEATURE_ID=315 PEPMASS=918.8123 SCANS=315 RTINSECONDS=2164.232 CHARGE=1+ MSLEVEL=2 89.0601 1.2E3 99.0808 1.1E3 101.0713 1.5E3 115.0756 1.2E3 117.0911 2.6E3 133.0858 1.1E3 175.1329 1.5E3 233.1748 1.2E3 577.5176 3.7E3 591.4980 4.1E3 617.5131 8.9E3 618.5162 1.1E3 END IONS BEGIN IONS FEATURE_ID=316 PEPMASS=918.8131 SCANS=316 RTINSECONDS=2170.531 CHARGE=1+ MSLEVEL=2 89.0601 1.2E3 99.0808 1.1E3 101.0713 1.5E3 115.0756 1.2E3 117.0911 2.6E3 133.0858 1.1E3 175.1329 1.5E3 233.1748 1.2E3 577.5176 3.7E3 591.4980 4.1E3 617.5131 8.9E3 618.5162 1.1E3 END IONS BEGIN IONS FEATURE_ID=317 PEPMASS=918.8124 SCANS=317 RTINSECONDS=2182.316 CHARGE=1+ MSLEVEL=2 101.0713 1.3E3 112.0871 1.2E3 115.0754 1.2E3 117.0912 2.4E3 175.1327 1.7E3 577.5166 2.3E3 591.4967 3.1E3 617.5126 5.1E3 618.5165 1.3E3 END IONS BEGIN IONS FEATURE_ID=318 PEPMASS=918.8115 SCANS=318 RTINSECONDS=2187.775 CHARGE=1+ MSLEVEL=2 101.0713 1.3E3 112.0871 1.2E3 115.0754 1.2E3 117.0912 2.4E3 175.1327 1.7E3 577.5166 2.3E3 591.4967 3.1E3 617.5126 5.1E3 618.5165 1.3E3 END IONS BEGIN IONS FEATURE_ID=319 PEPMASS=918.8122 SCANS=319 RTINSECONDS=2216.488 CHARGE=1+ MSLEVEL=2 117.0911 1.5E3 279.2318 1.6E3 577.5182 5.6E3 578.5217 1.1E3 591.4974 6.7E3 617.5132 1.1E4 618.5155 2.3E3 END IONS BEGIN IONS FEATURE_ID=320 PEPMASS=918.8136 SCANS=320 RTINSECONDS=2228.581 CHARGE=1+ MSLEVEL=2 117.0911 1.5E3 279.2318 1.6E3 577.5182 5.6E3 578.5217 1.1E3 591.4974 6.7E3 617.5132 1.1E4 618.5155 2.3E3 END IONS BEGIN IONS FEATURE_ID=321 PEPMASS=918.8122 SCANS=321 RTINSECONDS=2255.527 CHARGE=1+ MSLEVEL=2 279.2315 1.2E3 577.5186 3.8E3 591.4972 4.4E3 617.5129 7.7E3 618.5153 1.8E3 END IONS BEGIN IONS FEATURE_ID=322 PEPMASS=918.8117 SCANS=322 RTINSECONDS=2258.39 CHARGE=1+ MSLEVEL=2 279.2315 1.2E3 577.5186 3.8E3 591.4972 4.4E3 617.5129 7.7E3 618.5153 1.8E3 END IONS BEGIN IONS FEATURE_ID=323 PEPMASS=918.8126 SCANS=323 RTINSECONDS=2264.321 CHARGE=1+ MSLEVEL=2 279.2315 1.2E3 577.5186 3.8E3 591.4972 4.4E3 617.5129 7.7E3 618.5153 1.8E3 END IONS BEGIN IONS FEATURE_ID=324 PEPMASS=918.8124 SCANS=324 RTINSECONDS=2270.504 CHARGE=1+ MSLEVEL=2 279.2316 1.2E3 577.5189 4.2E3 591.4981 4.8E3 617.5132 8.9E3 618.5166 3.0E3 END IONS BEGIN IONS FEATURE_ID=325 PEPMASS=918.8120 SCANS=325 RTINSECONDS=2275.587 CHARGE=1+ MSLEVEL=2 279.2316 1.2E3 577.5189 4.2E3 591.4981 4.8E3 617.5132 8.9E3 618.5166 3.0E3 END IONS BEGIN IONS FEATURE_ID=326 PEPMASS=918.8124 SCANS=326 RTINSECONDS=2276.778 CHARGE=1+ MSLEVEL=2 279.2316 1.2E3 577.5189 4.2E3 591.4981 4.8E3 617.5132 8.9E3 618.5166 3.0E3 END IONS BEGIN IONS FEATURE_ID=327 PEPMASS=918.8126 SCANS=327 RTINSECONDS=2282.279 CHARGE=1+ MSLEVEL=2 279.2316 1.2E3 577.5189 4.2E3 591.4981 4.8E3 617.5132 8.9E3 618.5166 3.0E3 END IONS BEGIN IONS FEATURE_ID=328 PEPMASS=918.8120 SCANS=328 RTINSECONDS=2288.223 CHARGE=1+ MSLEVEL=2 279.2316 1.2E3 577.5189 4.2E3 591.4981 4.8E3 617.5132 8.9E3 618.5166 3.0E3 END IONS BEGIN IONS FEATURE_ID=329 PEPMASS=918.8114 SCANS=329 RTINSECONDS=2302.329 CHARGE=1+ MSLEVEL=2 85.0765 1.2E3 279.2318 1.3E3 577.5182 2.4E3 591.4969 4.0E3 617.5131 5.2E3 618.5164 2.1E3 END IONS BEGIN IONS FEATURE_ID=330 PEPMASS=918.8112 SCANS=330 RTINSECONDS=2308.379 CHARGE=1+ MSLEVEL=2 85.0765 1.2E3 279.2318 1.3E3 577.5182 2.4E3 591.4969 4.0E3 617.5131 5.2E3 618.5164 2.1E3 END IONS BEGIN IONS FEATURE_ID=331 PEPMASS=918.8119 SCANS=331 RTINSECONDS=2314.462 CHARGE=1+ MSLEVEL=2 85.0765 1.2E3 279.2318 1.3E3 577.5182 2.4E3 591.4969 4.0E3 617.5131 5.2E3 618.5164 2.1E3 END IONS BEGIN IONS FEATURE_ID=332 PEPMASS=918.8125 SCANS=332 RTINSECONDS=2317.702 CHARGE=1+ MSLEVEL=2 577.5192 3.0E3 591.4979 2.2E3 617.5123 5.3E3 618.5153 1.6E3 END IONS BEGIN IONS FEATURE_ID=333 PEPMASS=918.8120 SCANS=333 RTINSECONDS=2326.026 CHARGE=1+ MSLEVEL=2 577.5192 3.0E3 591.4979 2.2E3 617.5123 5.3E3 618.5153 1.6E3 END IONS BEGIN IONS FEATURE_ID=334 PEPMASS=918.8125 SCANS=334 RTINSECONDS=2329.912 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=335 PEPMASS=918.8123 SCANS=335 RTINSECONDS=2334.506 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=336 PEPMASS=918.8128 SCANS=336 RTINSECONDS=2338.855 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=337 PEPMASS=918.8138 SCANS=337 RTINSECONDS=2339.39 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=338 PEPMASS=918.8136 SCANS=338 RTINSECONDS=2340.459 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=339 PEPMASS=918.8127 SCANS=339 RTINSECONDS=2340.994 CHARGE=1+ MSLEVEL=2 91.5061 1.1E3 279.2317 1.2E3 577.5166 3.6E3 591.4973 3.9E3 617.5129 7.6E3 618.5165 2.6E3 END IONS BEGIN IONS FEATURE_ID=340 PEPMASS=918.8130 SCANS=340 RTINSECONDS=2347.969 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=341 PEPMASS=918.8125 SCANS=341 RTINSECONDS=2354.015 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=342 PEPMASS=918.8131 SCANS=342 RTINSECONDS=2357.472 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=343 PEPMASS=918.8130 SCANS=343 RTINSECONDS=2359.229 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=344 PEPMASS=918.8137 SCANS=344 RTINSECONDS=2365.145 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=345 PEPMASS=918.8141 SCANS=345 RTINSECONDS=2371.528 CHARGE=1+ MSLEVEL=2 279.2317 1.4E3 577.5181 5.1E3 578.5206 1.5E3 591.4971 6.8E3 617.5130 1.3E4 618.5161 2.7E3 918.8073 1.0E3 END IONS BEGIN IONS FEATURE_ID=346 PEPMASS=923.6071 SCANS=346 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 72.0813 2.3E3 86.0969 4.4E3 87.0445 1.8E3 89.0600 3.2E3 115.0755 1.7E3 117.0913 5.4E3 133.0858 3.3E3 175.1326 3.0E3 177.1121 1.6E3 185.1650 1.7E3 213.1597 1.4E3 229.1181 2.8E3 233.1747 1.7E3 245.1855 2.6E3 328.1862 1.9E4 342.2018 2.6E3 352.2478 6.4E3 360.2118 6.0E3 370.2584 6.8E3 413.2745 4.0E3 439.2181 1.4E3 441.2700 8.8E3 447.3214 1.2E3 455.2856 1.1E3 459.2804 4.5E3 465.3315 1.0E4 483.3422 1.5E4 484.3467 1.3E3 546.3893 2.6E3 554.3539 4.9E3 564.4000 6.1E3 572.3646 2.5E4 573.3677 1.8E3 582.4099 9.0E3 583.4148 1.6E3 596.4262 4.2E3 598.3702 1.6E3 651.4312 1.4E3 661.4174 1.4E3 679.4266 1.0E4 680.4309 1.3E3 693.4415 2.1E3 695.4940 3.1E3 697.4368 1.1E4 698.4405 1.4E3 711.4530 4.7E3 764.5161 2.6E3 765.4997 1.3E3 792.5104 7.7E3 793.5128 1.1E3 810.5212 1.7E4 811.5255 2.1E3 824.5361 2.7E3 878.5832 1.4E3 895.6099 4.6E3 905.5942 3.6E3 923.6053 2.2E4 924.6084 3.9E3 END IONS BEGIN IONS FEATURE_ID=347 PEPMASS=925.5028 SCANS=347 RTINSECONDS=1319.973 CHARGE=1+ MSLEVEL=2 86.0968 3.8E3 104.0709 4.3E3 120.0809 4.1E3 122.0812 8.0E4 303.1698 4.6E4 304.1736 2.5E3 330.1806 4.7E3 338.1700 1.4E3 344.1959 5.8E3 355.1971 7.1E3 362.2072 1.2E3 367.2335 1.1E3 401.2170 2.5E3 422.2434 4.1E3 443.2646 2.9E3 450.2379 4.2E4 451.2411 3.5E3 484.2543 1.8E3 502.2651 2.6E4 503.2682 2.7E3 507.2596 2.3E3 514.3013 5.1E3 533.2748 4.4E4 534.2781 4.7E3 551.2849 1.1E4 552.2894 1.2E3 597.3394 2.4E3 604.3480 1.8E3 606.3267 1.9E3 615.3491 4.9E4 616.3519 5.0E3 632.3431 8.5E4 633.3463 1.2E4 634.3224 5.9E3 650.3534 6.3E3 651.3558 1.1E3 703.3802 9.4E3 704.3817 1.5E3 705.3591 1.3E3 733.3907 2.4E3 776.4319 2.7E3 786.4183 3.1E3 804.4275 1.6E4 805.4301 3.0E3 END IONS BEGIN IONS FEATURE_ID=348 PEPMASS=935.4867 SCANS=348 RTINSECONDS=1218.429 CHARGE=1+ MSLEVEL=2 86.0951 1.4E3 86.0968 2.3E4 120.0809 9.9E3 129.1024 1.2E3 130.0971 1.2E3 173.0922 2.4E3 187.1078 2.2E3 191.1022 2.2E3 201.1235 1.2E3 215.1026 1.1E4 231.1125 3.4E3 233.1130 5.8E3 249.1229 1.1E3 254.1494 1.3E3 261.1599 1.2E3 270.1442 2.0E3 271.1279 1.7E3 272.1604 2.1E3 275.1750 1.8E3 286.1393 2.2E3 302.1861 2.1E3 303.1699 8.5E4 304.1499 3.2E4 304.1729 4.6E3 309.1924 1.1E3 330.1803 5.1E3 337.1862 2.4E3 344.1964 3.1E4 345.1998 1.7E3 355.1972 1.1E4 359.1913 1.1E3 362.2068 2.6E3 373.2084 2.8E3 385.2080 6.1E3 401.2176 6.5E3 403.2181 2.2E4 415.2698 3.3E3 419.2288 1.5E3 422.2435 5.3E3 423.2451 1.2E3 443.2653 5.4E3 450.2379 3.5E4 451.2408 2.8E3 458.2607 3.3E3 468.2448 1.7E4 469.2470 1.2E3 476.2500 1.3E3 484.2539 2.3E3 486.2553 2.5E4 487.2585 2.1E3 496.2391 2.4E3 502.2649 1.0E4 507.2599 1.9E3 514.3016 1.1E4 520.2746 3.3E3 532.3130 2.2E3 533.2751 7.8E4 534.2788 6.4E3 544.2755 1.0E3 551.2859 1.5E4 552.2892 1.2E3 597.3385 3.3E3 604.3486 1.1E4 605.3283 1.5E3 605.3514 1.1E3 606.3281 2.2E3 615.3129 9.9E3 615.3489 1.1E4 632.3434 7.0E4 633.3232 2.4E4 633.3483 6.5E3 634.3262 2.7E3 649.3696 1.7E3 650.3537 5.3E3 703.3806 2.3E4 704.3828 3.1E3 718.4120 3.7E3 721.3897 4.1E3 728.3964 1.7E4 729.3982 1.7E3 746.4077 7.2E4 747.3697 6.0E3 747.4095 1.1E4 786.4150 1.3E3 804.4282 6.6E3 805.4297 1.5E3 818.4437 1.7E3 822.4378 1.9E3 836.4175 3.9E3 846.4379 6.8E3 847.4393 1.3E3 890.4654 1.1E3 907.4904 7.1E3 908.4923 2.0E3 917.4755 2.7E4 918.4805 5.1E3 935.4827 1.1E4 935.5226 2.8E3 936.4881 2.0E3 END IONS BEGIN IONS FEATURE_ID=349 PEPMASS=939.4892 SCANS=349 RTINSECONDS=1199.137 CHARGE=1+ MSLEVEL=2 86.0968 1.3E3 237.1094 1.4E3 303.1698 4.7E3 308.1460 3.1E3 344.1966 1.5E3 401.2183 1.2E3 407.2143 2.5E3 419.2290 1.6E3 450.2375 3.8E3 490.2517 3.4E3 502.2660 1.3E3 514.3033 1.1E3 533.2746 5.8E3 551.2855 3.0E3 604.3486 5.2E3 632.3430 1.1E4 633.3463 1.5E3 637.3189 7.4E3 650.3544 1.7E3 703.3804 3.2E3 705.3802 2.8E3 721.3920 2.1E3 750.4031 6.6E3 804.4290 1.1E3 939.4824 5.9E4 940.4856 1.1E4 END IONS BEGIN IONS FEATURE_ID=350 PEPMASS=940.4666 SCANS=350 RTINSECONDS=1083.291 CHARGE=1+ MSLEVEL=2 86.0966 8.2E3 91.5061 3.1E3 120.0805 3.4E3 231.1127 1.9E3 233.1644 1.1E3 238.0930 3.0E3 272.1603 1.0E3 276.1085 3.0E3 303.1700 3.0E4 304.1727 1.1E3 309.1296 6.6E3 330.1806 2.9E3 337.1861 1.4E3 344.1962 8.8E3 355.1969 5.2E3 364.1718 1.1E3 382.2072 1.5E3 401.2173 1.3E3 408.1981 1.8E4 409.2026 1.5E3 420.1980 3.7E3 422.2419 1.4E3 443.2649 2.3E3 446.2135 2.5E3 450.2381 1.0E4 463.2412 6.8E3 491.2355 1.0E5 492.2391 5.9E3 502.2651 4.2E3 514.3027 1.3E3 519.2300 2.0E3 533.2749 2.3E4 534.2784 3.4E3 551.2827 1.1E3 604.3489 1.7E3 610.3113 1.1E3 615.3480 4.9E3 632.3436 1.4E4 633.3464 1.7E3 638.3035 1.1E5 639.3065 1.2E4 642.3605 2.4E3 647.7296 1.2E3 652.3173 1.5E3 703.3796 2.5E3 723.3936 2.6E3 744.6572 1.0E3 751.3875 2.1E5 752.3906 2.7E4 803.3454 1.3E3 804.4277 3.0E3 831.4385 5.8E3 841.3995 1.6E3 898.4543 1.6E3 900.5573 1.1E3 912.4704 3.0E3 922.4545 4.8E3 940.4662 4.4E4 941.4695 8.4E3 END IONS BEGIN IONS FEATURE_ID=351 PEPMASS=940.6332 SCANS=351 RTINSECONDS=1769.569 CHARGE=1+ MSLEVEL=2 86.0968 3.8E3 199.1802 1.8E3 213.1596 1.4E3 227.1754 9.3E3 246.1444 1.4E3 326.2435 8.1E3 328.1859 6.0E3 342.2019 1.0E3 344.2539 1.4E3 345.2124 3.8E3 352.2478 1.4E3 370.2582 1.7E4 395.2645 2.0E3 413.2748 2.1E3 423.2588 2.8E3 441.2701 5.3E4 442.2738 2.3E3 455.2857 2.1E3 455.3469 1.1E3 458.2967 4.5E3 465.3319 4.9E3 483.3421 6.5E4 484.3461 5.2E3 508.3489 1.4E3 526.3583 3.6E3 536.3415 2.2E3 553.3699 2.4E3 554.3537 1.6E4 555.3555 1.7E3 568.4309 1.8E3 571.3803 7.3E4 572.3638 2.1E3 572.3837 7.5E3 578.4155 8.4E3 596.4260 8.4E4 597.4294 7.5E3 667.4998 1.6E3 677.4831 3.9E3 695.4940 4.2E4 696.4974 5.3E3 764.5147 1.5E3 792.5109 4.6E3 810.5212 2.7E3 905.5917 1.5E3 922.6194 1.1E3 923.6049 4.4E3 924.6080 1.2E3 END IONS BEGIN IONS FEATURE_ID=352 PEPMASS=943.5120 SCANS=352 RTINSECONDS=1148.834 CHARGE=1+ MSLEVEL=2 86.0969 7.4E3 104.0710 5.3E3 120.0808 4.7E3 122.0812 7.8E4 122.0965 1.5E3 131.9149 1.0E3 171.1124 1.6E3 231.1125 1.1E3 233.1640 1.1E3 272.1600 3.3E3 275.1742 1.2E3 290.1704 4.9E3 303.1697 4.9E4 304.1732 4.6E3 306.2538 1.2E3 330.1807 5.9E3 344.1963 2.0E4 355.1963 1.8E3 373.2077 9.1E3 380.8329 1.0E3 401.2177 1.8E3 415.2695 1.2E3 419.2277 1.5E3 422.2433 4.4E3 443.2645 3.8E3 450.2381 3.3E4 451.2411 3.1E3 492.2812 2.1E3 502.2648 5.9E3 507.2578 1.4E3 514.3024 2.1E3 520.2755 3.8E4 521.2788 4.4E3 532.3126 1.9E3 533.2750 7.2E4 534.2780 9.7E3 551.2855 1.1E4 552.2877 1.8E3 604.3469 1.7E3 605.3641 2.8E3 606.3286 1.7E3 615.3483 6.6E3 616.3539 1.4E3 626.4697 1.1E3 632.3433 8.6E4 633.3604 8.2E4 634.3631 1.2E4 648.8966 1.0E3 650.3533 1.0E4 651.3566 1.0E3 652.3325 1.7E3 703.3806 8.5E3 721.3900 9.7E3 722.3936 1.9E3 723.3687 3.8E3 751.3998 2.7E3 752.4020 1.0E3 777.4193 1.3E3 794.4430 1.1E4 795.4457 1.6E3 804.4274 2.4E4 805.4288 3.1E3 822.4382 8.2E4 823.4405 1.3E4 END IONS BEGIN IONS FEATURE_ID=353 PEPMASS=943.5262 SCANS=353 RTINSECONDS=1265.57 CHARGE=1+ MSLEVEL=2 86.0968 6.4E3 105.0701 4.4E3 120.0809 2.8E3 122.0812 1.7E3 148.1120 9.1E4 149.1154 2.0E3 194.1287 1.6E3 201.1232 1.6E3 223.1440 1.0E4 231.1133 1.3E3 272.1604 1.7E3 293.1608 1.6E3 294.1807 1.4E4 303.1698 3.1E4 304.1729 2.7E3 311.1709 2.1E3 330.1803 4.6E3 344.1959 7.7E3 345.2005 1.4E3 347.1913 3.2E3 348.1917 1.4E3 362.2072 2.1E3 393.2498 2.3E3 401.2175 1.5E3 410.2389 2.5E3 419.2283 5.2E3 422.2424 2.1E3 443.2643 4.2E3 450.2380 2.8E4 451.2413 3.1E3 461.2748 2.2E3 465.2812 1.5E3 493.2759 2.4E4 494.2607 7.3E3 494.2800 7.6E3 494.2979 3.3E3 507.2586 3.4E3 514.3024 2.0E3 520.2749 1.0E3 523.2905 2.1E3 532.3113 3.1E3 533.2747 3.5E4 534.2786 6.4E3 551.2855 2.4E4 552.2885 3.2E3 604.3488 2.5E3 606.3274 3.3E3 607.3440 1.2E4 623.3372 1.1E3 632.3430 6.8E4 633.3446 1.1E4 640.3444 1.9E4 641.3449 1.1E4 650.3534 1.5E4 651.3579 1.8E3 703.3796 3.2E3 704.3855 1.7E3 721.3906 8.4E3 722.3951 2.1E3 753.4278 1.9E4 754.4290 1.5E4 778.4124 1.6E3 822.4401 1.3E3 914.5148 1.2E3 924.4974 1.4E3 925.5024 2.1E3 942.5068 3.0E4 943.5270 1.1E5 944.5313 2.3E4 END IONS BEGIN IONS FEATURE_ID=354 PEPMASS=943.5255 SCANS=354 RTINSECONDS=1273.49 CHARGE=1+ MSLEVEL=2 86.0967 3.7E3 105.0700 2.6E3 120.0809 1.9E3 122.0813 1.5E3 148.1120 6.1E4 149.1155 1.3E3 201.1233 1.7E3 223.1440 1.6E4 272.1601 1.3E3 294.1809 2.0E4 303.1696 1.8E4 330.1808 2.2E3 344.1961 4.7E3 348.1911 1.2E3 362.2066 2.5E3 393.2488 4.7E3 419.2282 4.0E3 422.2431 2.4E3 443.2643 2.1E3 450.2379 2.6E4 451.2408 2.3E3 461.2751 2.3E3 494.2604 4.2E3 494.2960 5.1E3 507.2596 3.1E3 514.3022 1.4E3 520.2768 1.5E3 523.2917 1.3E3 532.3109 3.1E3 533.2748 2.5E4 534.2782 2.4E3 551.2854 2.3E4 552.2875 2.3E3 606.3259 2.9E3 607.3440 7.7E3 632.3431 5.6E4 633.3440 6.2E3 641.3651 4.4E3 650.3538 1.3E4 651.3561 1.2E3 703.3804 1.5E3 721.3906 9.5E3 722.3926 1.5E3 754.4489 6.6E3 755.4519 1.4E3 778.4108 2.1E3 822.4364 2.0E3 826.4102 1.1E3 925.5170 2.6E3 943.5273 1.6E5 944.5302 3.1E4 END IONS BEGIN IONS FEATURE_ID=355 PEPMASS=943.5258 SCANS=355 RTINSECONDS=1350.897 CHARGE=1+ MSLEVEL=2 86.0969 4.4E3 91.5082 1.5E3 105.0701 6.1E3 120.0812 2.9E3 140.1434 3.1E3 148.1121 1.4E5 149.1152 3.4E3 173.0919 1.0E3 201.1234 1.5E3 223.1441 1.7E4 231.1125 1.1E3 272.1596 1.6E3 294.1809 2.3E4 303.1699 2.7E4 304.1734 1.3E3 330.1809 4.5E3 344.1963 7.0E3 347.1921 3.8E3 348.1914 1.9E3 362.2069 4.0E3 393.2489 3.5E3 419.2289 5.9E3 422.2433 3.5E3 433.2811 1.6E3 443.2655 3.3E3 450.2383 3.8E4 451.2422 4.4E3 461.2763 2.7E3 494.2604 1.0E4 494.2963 5.6E3 507.2594 5.7E3 514.3018 2.8E3 523.2921 1.8E3 532.3119 4.7E3 533.2750 4.1E4 534.2783 4.1E3 551.2856 3.5E4 552.2899 3.8E3 604.3488 1.5E3 606.3276 4.1E3 607.3439 1.9E4 608.3478 2.8E3 616.3542 1.7E3 632.3434 9.0E4 633.3455 1.1E4 641.3643 4.8E3 650.3541 2.3E4 651.3564 2.8E3 703.3826 2.4E3 721.3914 1.3E4 722.3964 1.1E3 754.4484 6.8E3 778.4144 2.0E3 822.4377 1.1E3 826.4115 3.1E3 851.3484 1.1E3 925.5173 2.7E3 942.4593 4.3E3 943.5279 1.8E5 944.5311 3.9E4 END IONS BEGIN IONS FEATURE_ID=356 PEPMASS=943.5264 SCANS=356 RTINSECONDS=1368.296 CHARGE=1+ MSLEVEL=2 86.0969 4.4E3 91.5082 1.5E3 105.0701 6.1E3 120.0812 2.9E3 140.1434 3.1E3 148.1121 1.4E5 149.1152 3.4E3 173.0919 1.0E3 201.1234 1.5E3 223.1441 1.7E4 231.1125 1.1E3 272.1596 1.6E3 294.1809 2.3E4 303.1699 2.7E4 304.1734 1.3E3 330.1809 4.5E3 344.1963 7.0E3 347.1921 3.8E3 348.1914 1.9E3 362.2069 4.0E3 393.2489 3.5E3 419.2289 5.9E3 422.2433 3.5E3 433.2811 1.6E3 443.2655 3.3E3 450.2383 3.8E4 451.2422 4.4E3 461.2763 2.7E3 494.2604 1.0E4 494.2963 5.6E3 507.2594 5.7E3 514.3018 2.8E3 523.2921 1.8E3 532.3119 4.7E3 533.2750 4.1E4 534.2783 4.1E3 551.2856 3.5E4 552.2899 3.8E3 604.3488 1.5E3 606.3276 4.1E3 607.3439 1.9E4 608.3478 2.8E3 616.3542 1.7E3 632.3434 9.0E4 633.3455 1.1E4 641.3643 4.8E3 650.3541 2.3E4 651.3564 2.8E3 703.3826 2.4E3 721.3914 1.3E4 722.3964 1.1E3 754.4484 6.8E3 778.4144 2.0E3 822.4377 1.1E3 826.4115 3.1E3 851.3484 1.1E3 925.5173 2.7E3 942.4593 4.3E3 943.5279 1.8E5 944.5311 3.9E4 END IONS BEGIN IONS FEATURE_ID=357 PEPMASS=943.5286 SCANS=357 RTINSECONDS=1263.57 CHARGE=1+ MSLEVEL=2 86.0968 6.4E3 105.0701 4.4E3 120.0809 2.8E3 122.0812 1.7E3 148.1120 9.1E4 149.1154 2.0E3 194.1287 1.6E3 201.1232 1.6E3 223.1440 1.0E4 231.1133 1.3E3 272.1604 1.7E3 293.1608 1.6E3 294.1807 1.4E4 303.1698 3.1E4 304.1729 2.7E3 311.1709 2.1E3 330.1803 4.6E3 344.1959 7.7E3 345.2005 1.4E3 347.1913 3.2E3 348.1917 1.4E3 362.2072 2.1E3 393.2498 2.3E3 401.2175 1.5E3 410.2389 2.5E3 419.2283 5.2E3 422.2424 2.1E3 443.2643 4.2E3 450.2380 2.8E4 451.2413 3.1E3 461.2748 2.2E3 465.2812 1.5E3 493.2759 2.4E4 494.2607 7.3E3 494.2800 7.6E3 494.2979 3.3E3 507.2586 3.4E3 514.3024 2.0E3 520.2749 1.0E3 523.2905 2.1E3 532.3113 3.1E3 533.2747 3.5E4 534.2786 6.4E3 551.2855 2.4E4 552.2885 3.2E3 604.3488 2.5E3 606.3274 3.3E3 607.3440 1.2E4 623.3372 1.1E3 632.3430 6.8E4 633.3446 1.1E4 640.3444 1.9E4 641.3449 1.1E4 650.3534 1.5E4 651.3579 1.8E3 703.3796 3.2E3 704.3855 1.7E3 721.3906 8.4E3 722.3951 2.1E3 753.4278 1.9E4 754.4290 1.5E4 778.4124 1.6E3 822.4401 1.3E3 914.5148 1.2E3 924.4974 1.4E3 925.5024 2.1E3 942.5068 3.0E4 943.5270 1.1E5 944.5313 2.3E4 END IONS BEGIN IONS FEATURE_ID=358 PEPMASS=943.5282 SCANS=358 RTINSECONDS=1267.727 CHARGE=1+ MSLEVEL=2 86.0968 6.4E3 105.0701 4.4E3 120.0809 2.8E3 122.0812 1.7E3 148.1120 9.1E4 149.1154 2.0E3 194.1287 1.6E3 201.1232 1.6E3 223.1440 1.0E4 231.1133 1.3E3 272.1604 1.7E3 293.1608 1.6E3 294.1807 1.4E4 303.1698 3.1E4 304.1729 2.7E3 311.1709 2.1E3 330.1803 4.6E3 344.1959 7.7E3 345.2005 1.4E3 347.1913 3.2E3 348.1917 1.4E3 362.2072 2.1E3 393.2498 2.3E3 401.2175 1.5E3 410.2389 2.5E3 419.2283 5.2E3 422.2424 2.1E3 443.2643 4.2E3 450.2380 2.8E4 451.2413 3.1E3 461.2748 2.2E3 465.2812 1.5E3 493.2759 2.4E4 494.2607 7.3E3 494.2800 7.6E3 494.2979 3.3E3 507.2586 3.4E3 514.3024 2.0E3 520.2749 1.0E3 523.2905 2.1E3 532.3113 3.1E3 533.2747 3.5E4 534.2786 6.4E3 551.2855 2.4E4 552.2885 3.2E3 604.3488 2.5E3 606.3274 3.3E3 607.3440 1.2E4 623.3372 1.1E3 632.3430 6.8E4 633.3446 1.1E4 640.3444 1.9E4 641.3449 1.1E4 650.3534 1.5E4 651.3579 1.8E3 703.3796 3.2E3 704.3855 1.7E3 721.3906 8.4E3 722.3951 2.1E3 753.4278 1.9E4 754.4290 1.5E4 778.4124 1.6E3 822.4401 1.3E3 914.5148 1.2E3 924.4974 1.4E3 925.5024 2.1E3 942.5068 3.0E4 943.5270 1.1E5 944.5313 2.3E4 END IONS BEGIN IONS FEATURE_ID=359 PEPMASS=943.5294 SCANS=359 RTINSECONDS=1275.436 CHARGE=1+ MSLEVEL=2 86.0967 3.7E3 105.0700 2.6E3 120.0809 1.9E3 122.0813 1.5E3 148.1120 6.1E4 149.1155 1.3E3 201.1233 1.7E3 223.1440 1.6E4 272.1601 1.3E3 294.1809 2.0E4 303.1696 1.8E4 330.1808 2.2E3 344.1961 4.7E3 348.1911 1.2E3 362.2066 2.5E3 393.2488 4.7E3 419.2282 4.0E3 422.2431 2.4E3 443.2643 2.1E3 450.2379 2.6E4 451.2408 2.3E3 461.2751 2.3E3 494.2604 4.2E3 494.2960 5.1E3 507.2596 3.1E3 514.3022 1.4E3 520.2768 1.5E3 523.2917 1.3E3 532.3109 3.1E3 533.2748 2.5E4 534.2782 2.4E3 551.2854 2.3E4 552.2875 2.3E3 606.3259 2.9E3 607.3440 7.7E3 632.3431 5.6E4 633.3440 6.2E3 641.3651 4.4E3 650.3538 1.3E4 651.3561 1.2E3 703.3804 1.5E3 721.3906 9.5E3 722.3926 1.5E3 754.4489 6.6E3 755.4519 1.4E3 778.4108 2.1E3 822.4364 2.0E3 826.4102 1.1E3 925.5170 2.6E3 943.5273 1.6E5 944.5302 3.1E4 END IONS BEGIN IONS FEATURE_ID=360 PEPMASS=943.5284 SCANS=360 RTINSECONDS=1286.974 CHARGE=1+ MSLEVEL=2 86.0967 3.7E3 105.0700 2.6E3 120.0809 1.9E3 122.0813 1.5E3 148.1120 6.1E4 149.1155 1.3E3 201.1233 1.7E3 223.1440 1.6E4 272.1601 1.3E3 294.1809 2.0E4 303.1696 1.8E4 330.1808 2.2E3 344.1961 4.7E3 348.1911 1.2E3 362.2066 2.5E3 393.2488 4.7E3 419.2282 4.0E3 422.2431 2.4E3 443.2643 2.1E3 450.2379 2.6E4 451.2408 2.3E3 461.2751 2.3E3 494.2604 4.2E3 494.2960 5.1E3 507.2596 3.1E3 514.3022 1.4E3 520.2768 1.5E3 523.2917 1.3E3 532.3109 3.1E3 533.2748 2.5E4 534.2782 2.4E3 551.2854 2.3E4 552.2875 2.3E3 606.3259 2.9E3 607.3440 7.7E3 632.3431 5.6E4 633.3440 6.2E3 641.3651 4.4E3 650.3538 1.3E4 651.3561 1.2E3 703.3804 1.5E3 721.3906 9.5E3 722.3926 1.5E3 754.4489 6.6E3 755.4519 1.4E3 778.4108 2.1E3 822.4364 2.0E3 826.4102 1.1E3 925.5170 2.6E3 943.5273 1.6E5 944.5302 3.1E4 END IONS BEGIN IONS FEATURE_ID=361 PEPMASS=943.5280 SCANS=361 RTINSECONDS=1358.655 CHARGE=1+ MSLEVEL=2 86.0969 4.4E3 91.5082 1.5E3 105.0701 6.1E3 120.0812 2.9E3 140.1434 3.1E3 148.1121 1.4E5 149.1152 3.4E3 173.0919 1.0E3 201.1234 1.5E3 223.1441 1.7E4 231.1125 1.1E3 272.1596 1.6E3 294.1809 2.3E4 303.1699 2.7E4 304.1734 1.3E3 330.1809 4.5E3 344.1963 7.0E3 347.1921 3.8E3 348.1914 1.9E3 362.2069 4.0E3 393.2489 3.5E3 419.2289 5.9E3 422.2433 3.5E3 433.2811 1.6E3 443.2655 3.3E3 450.2383 3.8E4 451.2422 4.4E3 461.2763 2.7E3 494.2604 1.0E4 494.2963 5.6E3 507.2594 5.7E3 514.3018 2.8E3 523.2921 1.8E3 532.3119 4.7E3 533.2750 4.1E4 534.2783 4.1E3 551.2856 3.5E4 552.2899 3.8E3 604.3488 1.5E3 606.3276 4.1E3 607.3439 1.9E4 608.3478 2.8E3 616.3542 1.7E3 632.3434 9.0E4 633.3455 1.1E4 641.3643 4.8E3 650.3541 2.3E4 651.3564 2.8E3 703.3826 2.4E3 721.3914 1.3E4 722.3964 1.1E3 754.4484 6.8E3 778.4144 2.0E3 822.4377 1.1E3 826.4115 3.1E3 851.3484 1.1E3 925.5173 2.7E3 942.4593 4.3E3 943.5279 1.8E5 944.5311 3.9E4 END IONS BEGIN IONS FEATURE_ID=362 PEPMASS=953.5335 SCANS=362 RTINSECONDS=1035.87 CHARGE=1+ MSLEVEL=2 86.0968 1.4E3 158.1176 2.1E3 233.1495 1.7E3 303.1695 8.8E3 304.1866 7.9E3 330.1811 1.5E3 344.1958 2.2E3 362.2071 1.1E3 403.2547 3.2E3 419.2286 2.9E3 443.2646 1.1E3 450.2379 1.3E4 451.2411 1.1E3 494.2603 1.5E3 504.3019 3.9E3 507.2592 2.3E3 514.3026 1.1E3 523.2919 1.1E3 532.3124 1.5E3 533.2750 1.7E4 534.2788 1.5E3 551.2858 9.6E3 606.3273 1.4E3 607.3444 2.8E3 632.3431 3.1E4 633.3453 4.1E3 650.3539 5.4E3 651.3713 2.9E3 721.3920 4.0E3 764.4545 6.1E3 953.5336 1.0E4 954.5386 1.8E3 END IONS BEGIN IONS FEATURE_ID=363 PEPMASS=953.5325 SCANS=363 RTINSECONDS=1047.564 CHARGE=1+ MSLEVEL=2 86.0968 1.4E3 158.1176 2.1E3 233.1495 1.7E3 303.1695 8.8E3 304.1866 7.9E3 330.1811 1.5E3 344.1958 2.2E3 362.2071 1.1E3 403.2547 3.2E3 419.2286 2.9E3 443.2646 1.1E3 450.2379 1.3E4 451.2411 1.1E3 494.2603 1.5E3 504.3019 3.9E3 507.2592 2.3E3 514.3026 1.1E3 523.2919 1.1E3 532.3124 1.5E3 533.2750 1.7E4 534.2788 1.5E3 551.2858 9.6E3 606.3273 1.4E3 607.3444 2.8E3 632.3431 3.1E4 633.3453 4.1E3 650.3539 5.4E3 651.3713 2.9E3 721.3920 4.0E3 764.4545 6.1E3 953.5336 1.0E4 954.5386 1.8E3 END IONS BEGIN IONS FEATURE_ID=364 PEPMASS=953.5338 SCANS=364 RTINSECONDS=1061.353 CHARGE=1+ MSLEVEL=2 86.0965 3.7E3 120.0808 3.7E3 158.1175 6.9E3 173.0917 1.2E3 201.1231 2.2E3 231.1122 1.4E3 233.1495 5.6E3 261.1592 1.1E3 272.1599 2.0E3 303.1699 2.7E4 304.1719 1.1E3 304.1863 2.2E4 330.1811 2.9E3 344.1961 8.9E3 347.1915 3.7E3 348.1911 1.4E3 362.2070 2.8E3 391.2333 1.1E3 403.2546 7.1E3 419.2281 6.1E3 422.2434 2.9E3 443.2648 4.3E3 450.2381 4.2E4 451.2418 4.2E3 461.2752 2.8E3 494.2603 6.8E3 504.3018 9.8E3 507.2596 7.5E3 508.2640 1.1E3 514.3018 2.6E3 523.2905 2.1E3 532.3116 5.5E3 533.2750 5.3E4 534.2787 5.6E3 551.2855 3.2E4 552.2886 3.8E3 606.3272 4.6E3 607.3444 1.2E4 608.3478 1.3E3 632.3434 9.1E4 633.3456 9.3E3 650.3542 1.6E4 651.3722 7.4E3 703.3806 2.3E3 721.3907 1.1E4 722.3939 1.1E3 764.4544 1.2E4 765.4573 1.9E3 778.4133 1.3E3 822.4406 1.2E3 907.5253 3.1E3 953.5331 2.6E4 954.5362 5.0E3 END IONS BEGIN IONS FEATURE_ID=365 PEPMASS=953.5350 SCANS=365 RTINSECONDS=1075.297 CHARGE=1+ MSLEVEL=2 86.0965 4.2E3 91.5082 1.1E3 120.0804 2.7E3 158.1175 7.3E3 201.1237 2.3E3 233.1492 6.9E3 246.1438 1.7E3 249.1223 1.7E3 261.1591 1.3E3 272.1603 2.0E3 303.1698 3.0E4 304.1863 3.2E4 305.1890 1.4E3 330.1805 4.8E3 344.1960 9.4E3 347.1917 3.2E3 348.1909 1.6E3 362.2064 4.2E3 401.2173 1.2E3 403.2546 8.7E3 419.2286 6.9E3 422.2430 3.3E3 433.2799 1.2E3 443.2645 4.2E3 450.2380 4.1E4 451.2414 3.8E3 461.2751 3.7E3 494.2604 7.3E3 504.3016 1.0E4 507.2598 7.1E3 514.3019 2.7E3 523.2905 2.5E3 532.3121 6.7E3 533.2751 5.0E4 534.2776 4.6E3 551.2854 3.5E4 552.2888 3.0E3 589.3330 1.0E3 604.3489 1.3E3 606.3278 5.1E3 607.3442 1.2E4 608.3455 1.2E3 632.3433 1.0E5 633.3450 1.2E4 650.3539 2.2E4 651.3718 8.8E3 652.3732 1.6E3 703.3818 2.1E3 721.3909 1.5E4 722.3946 1.7E3 764.4540 1.6E4 765.4565 1.7E3 778.4124 1.8E3 822.4371 1.9E3 907.5282 5.4E3 935.5253 1.7E3 953.5331 4.9E4 954.5358 8.4E3 END IONS BEGIN IONS FEATURE_ID=366 PEPMASS=953.5331 SCANS=366 RTINSECONDS=1085.239 CHARGE=1+ MSLEVEL=2 86.0965 4.2E3 91.5082 1.1E3 120.0804 2.7E3 158.1175 7.3E3 201.1237 2.3E3 233.1492 6.9E3 246.1438 1.7E3 249.1223 1.7E3 261.1591 1.3E3 272.1603 2.0E3 303.1698 3.0E4 304.1863 3.2E4 305.1890 1.4E3 330.1805 4.8E3 344.1960 9.4E3 347.1917 3.2E3 348.1909 1.6E3 362.2064 4.2E3 401.2173 1.2E3 403.2546 8.7E3 419.2286 6.9E3 422.2430 3.3E3 433.2799 1.2E3 443.2645 4.2E3 450.2380 4.1E4 451.2414 3.8E3 461.2751 3.7E3 494.2604 7.3E3 504.3016 1.0E4 507.2598 7.1E3 514.3019 2.7E3 523.2905 2.5E3 532.3121 6.7E3 533.2751 5.0E4 534.2776 4.6E3 551.2854 3.5E4 552.2888 3.0E3 589.3330 1.0E3 604.3489 1.3E3 606.3278 5.1E3 607.3442 1.2E4 608.3455 1.2E3 632.3433 1.0E5 633.3450 1.2E4 650.3539 2.2E4 651.3718 8.8E3 652.3732 1.6E3 703.3818 2.1E3 721.3909 1.5E4 722.3946 1.7E3 764.4540 1.6E4 765.4565 1.7E3 778.4124 1.8E3 822.4371 1.9E3 907.5282 5.4E3 935.5253 1.7E3 953.5331 4.9E4 954.5358 8.4E3 END IONS BEGIN IONS FEATURE_ID=367 PEPMASS=953.5343 SCANS=367 RTINSECONDS=1471.205 CHARGE=1+ MSLEVEL=2 86.0968 2.4E3 104.0709 2.2E3 120.0808 1.5E3 122.0812 2.6E4 218.1174 1.3E3 317.1856 1.0E3 330.1808 3.2E3 331.2011 2.0E4 332.2050 1.1E3 344.1963 1.0E4 355.1971 2.7E3 401.2169 2.3E3 443.2644 3.1E3 450.2740 1.7E3 478.2694 1.6E4 479.2722 1.5E3 502.2654 1.7E4 503.2679 1.3E3 514.3017 5.3E3 561.3062 1.9E4 562.3090 1.7E3 579.3157 4.4E3 597.3383 1.8E3 615.3491 4.5E4 616.3527 5.9E3 629.3655 1.6E3 634.3588 1.1E3 660.3746 4.1E4 661.3774 4.7E3 662.3533 2.6E3 678.3843 2.7E3 731.4116 4.0E3 814.4487 1.1E3 826.4095 2.2E3 827.4124 2.0E3 832.4601 6.8E3 END IONS BEGIN IONS FEATURE_ID=368 PEPMASS=958.4774 SCANS=368 RTINSECONDS=1000.47 CHARGE=1+ MSLEVEL=2 86.0970 1.7E3 148.1121 1.5E3 173.0916 1.4E3 303.1697 7.5E3 309.1298 5.6E3 344.1964 2.7E3 408.1981 1.6E4 450.2379 8.4E3 491.2345 3.0E3 507.2594 2.0E3 509.2458 2.2E4 510.2491 1.0E3 533.2748 1.2E4 534.2779 2.0E3 551.2852 6.8E3 632.3427 1.3E4 633.3445 1.9E3 638.3035 1.5E3 650.3533 1.4E3 656.3141 1.6E4 657.3134 1.2E3 751.3859 1.7E3 769.3979 2.6E4 770.4018 3.9E3 940.4659 4.0E3 941.4679 1.1E3 957.5436 6.3E3 958.4741 1.4E4 958.5445 7.0E3 959.4783 2.8E3 END IONS BEGIN IONS FEATURE_ID=369 PEPMASS=959.5227 SCANS=369 RTINSECONDS=1115.079 CHARGE=1+ MSLEVEL=2 86.0965 4.4E3 91.5078 1.2E3 120.0809 2.6E3 121.0645 5.5E3 164.1069 6.3E4 165.1099 1.2E3 201.1230 1.8E3 239.1385 1.7E4 249.1226 1.3E3 272.1599 2.3E3 292.1646 1.8E3 303.1699 2.1E4 304.1736 1.1E3 310.1757 2.2E4 330.1805 3.5E3 344.1966 5.4E3 347.1931 1.1E3 348.1907 1.2E3 362.2064 4.2E3 409.2440 5.7E3 419.2281 7.0E3 422.2433 2.5E3 443.2643 2.4E3 450.2379 3.1E4 451.2415 3.7E3 461.2751 2.5E3 494.2602 5.2E3 507.2591 5.2E3 510.2916 8.0E3 520.2754 2.3E3 523.2899 2.6E3 532.3122 5.4E3 533.2750 2.9E4 534.2777 3.5E3 551.2855 2.9E4 552.2893 3.6E3 606.3279 5.1E3 607.3450 1.0E4 608.3469 1.5E3 632.3433 7.4E4 633.3468 7.6E3 650.3537 1.8E4 651.3563 2.9E3 657.3591 6.3E3 658.3632 1.1E3 703.3806 1.3E3 721.3906 1.4E4 722.3945 1.5E3 770.4439 8.1E3 771.4465 1.3E3 778.4125 2.2E3 941.5120 3.3E3 959.5225 2.2E5 960.5257 4.8E4 END IONS BEGIN IONS FEATURE_ID=370 PEPMASS=959.5222 SCANS=370 RTINSECONDS=1139.232 CHARGE=1+ MSLEVEL=2 86.0968 6.2E3 120.0781 1.3E3 120.0808 3.0E3 121.0648 1.3E4 148.1119 1.5E3 164.1069 1.5E5 165.1104 3.5E3 201.1234 2.4E3 231.1119 1.2E3 239.1389 3.1E4 246.1451 1.3E3 249.1227 1.6E3 261.1590 1.3E3 272.1600 2.8E3 303.1699 3.3E4 304.1735 1.5E3 310.1756 3.7E4 311.1789 1.0E3 330.1806 4.8E3 344.1966 8.0E3 347.1912 4.0E3 348.1915 2.5E3 362.2066 3.7E3 389.2539 1.1E3 409.2432 7.4E3 417.2489 1.1E3 419.2278 8.2E3 422.2440 2.9E3 433.2809 2.2E3 443.2644 5.1E3 450.2379 5.2E4 451.2417 6.0E3 461.2751 4.3E3 494.2602 1.0E4 505.2803 1.0E3 507.2593 6.7E3 510.2914 1.1E4 514.3017 3.2E3 520.2770 1.2E3 523.2906 2.7E3 532.3121 6.4E3 533.2750 4.9E4 534.2787 5.9E3 551.2855 4.4E4 552.2886 4.8E3 589.3346 1.2E3 604.3494 1.6E3 606.3277 7.3E3 607.3446 1.8E4 608.3467 2.1E3 622.3602 1.7E3 632.3433 1.3E5 633.3442 1.3E4 650.3536 3.0E4 651.3566 5.1E3 657.3595 8.9E3 658.3625 1.1E3 661.2979 1.2E3 688.3212 1.4E3 703.3810 3.0E3 721.3910 1.9E4 722.3933 2.6E3 752.4312 1.0E3 770.4432 1.4E4 771.4489 2.2E3 772.3308 1.3E3 773.3345 1.6E3 778.4135 3.8E3 796.4242 1.3E3 816.3585 1.6E3 817.3624 2.4E3 822.4382 2.1E3 844.4197 1.1E3 941.5131 3.7E3 958.5485 7.2E3 959.5222 3.6E5 960.5253 7.1E4 986.9136 1.0E3 END IONS BEGIN IONS FEATURE_ID=371 PEPMASS=959.5232 SCANS=371 RTINSECONDS=1197.227 CHARGE=1+ MSLEVEL=2 86.0969 6.2E3 120.0808 3.7E3 121.0648 9.9E3 122.0811 1.1E4 124.0868 1.2E3 164.1068 1.3E5 165.1103 2.6E3 201.1231 1.8E3 239.1386 1.8E4 246.1436 1.0E3 261.1595 1.3E3 272.1599 1.7E3 303.1699 2.6E4 304.1732 2.6E3 310.1757 1.9E4 317.1855 4.2E3 318.1888 1.9E3 330.1803 5.0E3 344.1960 9.5E3 345.1996 2.6E3 347.1909 2.8E3 348.1912 2.2E3 362.2064 2.4E3 373.2072 1.4E3 409.2437 4.5E3 419.2283 5.6E3 422.2428 2.8E3 443.2639 3.3E3 450.2380 3.4E4 451.2414 4.9E3 451.2742 1.0E3 461.2745 2.4E3 464.2536 1.5E3 465.2578 2.0E3 494.2599 8.4E3 507.2597 5.8E3 510.2911 4.2E3 514.3016 2.0E3 520.2753 3.0E3 521.2783 2.3E3 523.2898 2.1E3 532.3119 4.6E3 533.2749 3.8E4 534.2773 7.0E3 547.2901 2.7E3 548.2944 3.4E3 549.2965 1.6E3 551.2852 2.7E4 552.2887 3.1E3 604.3489 1.7E3 606.3272 3.8E3 607.3441 1.5E4 608.3470 1.7E3 632.3430 7.6E4 633.3472 8.9E3 634.3636 5.7E3 635.3652 2.0E3 646.3585 3.1E3 647.3605 8.8E3 648.3755 3.5E3 650.3538 1.9E4 651.3564 2.5E3 657.3596 4.2E3 703.3795 1.5E3 721.3904 1.1E4 722.3932 1.4E3 736.4090 1.3E3 770.4452 4.8E3 778.4128 2.1E3 809.4602 1.5E3 819.4457 2.7E3 820.4492 2.0E3 822.4384 2.1E3 836.4537 1.7E3 837.4579 8.7E3 838.4589 5.1E3 941.5118 1.8E3 958.5453 3.5E3 959.5224 1.7E5 960.5255 3.5E4 END IONS BEGIN IONS FEATURE_ID=372 PEPMASS=967.5504 SCANS=372 RTINSECONDS=1263.57 CHARGE=1+ MSLEVEL=2 86.0969 1.3E3 158.1177 1.2E3 247.1651 3.7E3 303.1698 7.3E3 318.2018 1.6E4 344.1960 2.2E3 417.2700 2.4E3 419.2289 1.8E3 450.2383 8.4E3 507.2597 1.7E3 518.3180 2.8E3 523.2915 1.0E3 533.2752 1.2E4 534.2792 1.6E3 551.2858 7.3E3 621.3599 1.1E3 632.3431 2.0E4 633.3458 2.6E3 650.3538 3.7E3 665.3862 2.2E3 721.3920 3.0E3 778.4702 3.7E3 819.4077 1.8E3 921.5433 1.7E3 966.4941 6.6E3 967.4987 3.0E3 967.5489 1.7E4 968.5525 3.4E3 END IONS BEGIN IONS FEATURE_ID=373 PEPMASS=973.5397 SCANS=373 RTINSECONDS=1586.482 CHARGE=1+ MSLEVEL=2 86.0969 3.2E3 91.5081 1.4E3 120.0810 2.1E3 121.0649 3.9E3 164.1069 3.5E4 187.1080 1.3E3 249.1235 1.4E3 253.1541 1.0E4 272.1609 1.4E3 303.1698 2.0E4 324.1913 2.1E4 325.1953 1.7E3 330.1800 2.3E3 344.1962 5.1E3 361.2079 1.4E3 362.2063 2.4E3 419.2279 4.4E3 422.2431 2.3E3 423.2592 3.9E3 443.2654 2.4E3 450.2380 2.8E4 451.2417 2.0E3 461.2760 1.5E3 507.2596 4.5E3 508.2762 3.6E3 514.3019 1.6E3 523.2911 1.8E3 524.3069 3.2E3 532.3123 3.6E3 533.2751 3.0E4 534.2762 2.0E3 551.2854 2.6E4 552.2898 2.3E3 606.3281 1.8E3 621.3594 6.9E3 622.3618 1.2E3 632.3435 5.5E4 633.3461 7.6E3 647.3748 1.5E3 650.3541 1.1E4 671.3746 3.6E3 721.3915 7.9E3 722.3935 1.2E3 784.4589 6.1E3 785.4619 1.0E3 836.4543 1.9E3 955.5298 3.1E3 973.5381 3.0E5 974.5412 5.9E4 END IONS BEGIN IONS FEATURE_ID=374 PEPMASS=973.8185 SCANS=374 RTINSECONDS=2157.327 CHARGE=1+ MSLEVEL=2 87.0445 1.5E3 89.0601 2.3E3 99.0808 1.9E3 100.1126 2.1E3 101.0714 1.2E4 112.0872 1.1E3 115.0755 1.5E3 117.0912 5.3E3 126.1027 1.5E3 133.0858 2.0E3 168.1386 2.0E3 175.1332 2.1E3 177.1120 1.4E3 233.1748 1.7E3 277.2156 4.5E3 336.2522 2.0E3 575.5021 5.6E3 589.4816 3.6E3 613.4819 5.8E3 648.5177 1.5E3 672.5185 2.9E3 745.5971 2.5E3 928.7577 1.7E3 END IONS BEGIN IONS FEATURE_ID=375 PEPMASS=973.8187 SCANS=375 RTINSECONDS=2170.531 CHARGE=1+ MSLEVEL=2 87.0445 1.5E3 89.0601 2.3E3 99.0808 1.9E3 100.1126 2.1E3 101.0714 1.2E4 112.0872 1.1E3 115.0755 1.5E3 117.0912 5.3E3 126.1027 1.5E3 133.0858 2.0E3 168.1386 2.0E3 175.1332 2.1E3 177.1120 1.4E3 233.1748 1.7E3 277.2156 4.5E3 336.2522 2.0E3 575.5021 5.6E3 589.4816 3.6E3 613.4819 5.8E3 648.5177 1.5E3 672.5185 2.9E3 745.5971 2.5E3 928.7577 1.7E3 END IONS BEGIN IONS FEATURE_ID=376 PEPMASS=973.8185 SCANS=376 RTINSECONDS=2182.316 CHARGE=1+ MSLEVEL=2 87.0445 1.5E3 89.0601 2.3E3 99.0808 1.9E3 100.1126 2.1E3 101.0714 1.2E4 112.0872 1.1E3 115.0755 1.5E3 117.0912 5.3E3 126.1027 1.5E3 133.0858 2.0E3 168.1386 2.0E3 175.1332 2.1E3 177.1120 1.4E3 233.1748 1.7E3 277.2156 4.5E3 336.2522 2.0E3 575.5021 5.6E3 589.4816 3.6E3 613.4819 5.8E3 648.5177 1.5E3 672.5185 2.9E3 745.5971 2.5E3 928.7577 1.7E3 END IONS BEGIN IONS FEATURE_ID=377 PEPMASS=980.6277 SCANS=377 RTINSECONDS=1863.973 CHARGE=1+ MSLEVEL=2 72.0811 2.1E3 78.9852 1.2E3 86.0966 1.9E4 87.4907 1.3E3 88.4971 1.3E3 105.0111 1.5E3 105.1514 1.4E3 108.7041 1.3E3 110.7389 1.2E3 112.2798 1.5E3 119.5319 1.3E3 130.5175 1.3E3 132.1018 1.6E3 148.5931 1.2E3 166.5947 1.4E3 175.9596 1.3E3 180.7144 1.3E3 180.8984 1.5E3 199.1799 5.4E3 201.1228 2.7E3 209.0306 1.4E3 221.5598 1.4E3 227.1754 2.3E4 229.1179 1.1E4 231.1700 1.6E3 240.2782 1.4E3 245.1860 1.2E4 254.0722 1.3E3 268.1904 1.6E3 277.5130 1.5E3 281.2210 2.2E3 293.1288 1.6E3 296.1851 1.5E4 296.1932 1.8E3 298.2475 1.7E3 314.1955 9.3E3 314.2050 1.5E3 315.2644 3.7E3 316.2477 1.3E3 326.2430 1.4E4 328.1858 1.8E4 330.4886 1.3E3 342.2021 1.1E4 344.2528 2.3E3 348.0836 1.4E3 356.6010 1.4E3 358.2701 2.1E3 360.2121 2.2E4 391.2587 3.6E3 395.2643 1.1E4 396.2488 2.7E3 399.2838 2.8E3 409.2689 3.3E4 410.2630 1.7E3 413.2749 4.8E3 414.2593 2.2E3 422.7818 1.4E3 423.2592 1.6E4 423.3964 1.4E3 424.2625 2.0E3 427.2798 4.6E4 428.2815 2.0E3 429.2219 4.2E3 437.2744 1.4E3 441.2701 9.8E4 442.2729 5.7E3 445.2909 6.8E3 449.9121 1.4E3 455.2859 1.1E4 457.3380 4.1E3 459.2803 1.6E4 460.2823 2.0E3 469.2652 2.4E3 473.2961 2.0E3 476.3474 2.1E3 493.1686 1.4E3 494.3585 1.6E3 496.3003 2.9E3 504.3427 1.1E4 507.2811 1.7E3 508.3494 1.3E4 509.3319 4.1E3 509.3503 1.7E3 512.3688 9.8E3 513.3724 1.7E3 514.3128 1.6E3 522.3527 4.4E4 523.3560 3.9E3 524.2963 4.0E3 525.2899 2.3E3 526.3603 1.0E4 527.3440 3.0E3 536.3432 1.7E4 540.3635 9.8E4 541.3671 8.5E3 541.4097 1.5E3 542.3067 9.1E3 543.3748 2.6E3 552.3028 1.9E3 554.3538 4.9E4 555.3574 3.3E3 568.3699 6.5E3 570.4216 1.6E3 572.3646 2.1E4 586.3795 9.2E3 592.8290 1.5E3 603.4105 8.5E3 608.4257 1.7E3 609.3849 5.4E3 610.3872 1.6E3 621.4197 2.6E4 622.4205 3.5E3 623.3629 2.5E3 625.4155 1.9E3 625.4523 3.6E3 627.3963 3.7E3 635.4384 4.1E3 637.3802 1.3E4 638.3781 2.4E3 638.6077 7.0E3 639.4315 6.1E4 640.4351 5.6E3 641.3737 3.2E3 643.7227 1.4E3 649.4269 4.7E3 653.4470 9.1E3 654.4516 1.6E3 655.3897 3.4E4 656.3946 3.7E3 656.6170 6.5E3 667.4377 4.1E4 668.4420 3.7E3 682.2324 1.5E3 685.4485 4.3E5 686.4517 5.1E4 691.4257 2.1E3 708.4510 3.8E3 709.4371 1.2E4 718.4379 5.7E3 721.5104 2.2E3 722.4700 3.8E3 724.5217 2.6E3 726.4639 2.3E3 732.4535 1.7E3 734.5051 7.0E3 736.4477 1.9E4 737.4492 2.0E3 750.4632 8.7E3 752.5153 3.0E4 753.5198 4.6E3 754.4584 2.8E4 755.4607 2.9E3 766.5313 3.8E3 767.9691 1.7E3 768.4750 1.4E4 769.4775 2.8E3 776.5125 1.7E3 778.4595 1.7E3 803.5240 4.6E3 804.5080 1.9E3 820.5809 1.9E3 821.5371 1.9E4 822.5193 9.3E3 831.5225 4.6E3 839.5463 2.1E3 849.5324 3.1E4 850.5337 2.9E3 853.5625 2.4E3 863.5479 8.5E3 864.5479 1.8E3 865.6003 3.9E3 867.5426 6.0E4 867.8984 1.7E3 868.5471 8.9E3 881.5582 2.4E4 882.5627 2.1E3 917.5925 1.7E3 934.6205 7.9E3 935.6041 7.6E3 936.6109 2.1E3 944.6066 5.5E3 952.6315 4.1E4 953.6329 7.8E3 962.6164 7.0E4 963.6202 1.2E4 980.6267 3.2E5 981.6289 5.9E4 END IONS BEGIN IONS FEATURE_ID=378 PEPMASS=980.6279 SCANS=378 RTINSECONDS=1937.028 CHARGE=1+ MSLEVEL=2 86.0965 5.9E3 117.0910 2.7E3 199.1800 1.6E3 201.1232 1.1E3 227.1750 3.1E3 229.1177 1.7E3 298.2117 2.5E3 300.1549 5.8E3 324.2162 5.0E3 342.2016 1.8E3 342.2265 2.3E3 360.2121 4.2E3 367.2336 2.8E3 385.2442 1.2E3 395.2283 3.5E3 413.2385 2.8E4 414.2411 1.5E3 419.2894 1.0E3 427.2790 1.4E3 429.3055 1.1E3 431.2490 4.2E3 437.3000 7.6E3 441.2694 3.1E3 455.2849 1.3E3 455.3104 8.8E3 473.3217 1.9E3 479.2496 1.2E3 480.3170 4.8E3 498.3273 4.7E3 508.3123 5.2E3 522.3525 1.3E3 526.3226 1.3E4 532.3724 2.7E3 540.3627 2.9E3 540.3999 1.9E3 544.3326 6.1E3 550.3837 7.4E3 568.3945 1.6E4 569.3977 1.0E3 570.3373 1.1E3 603.4108 2.4E3 611.4114 1.4E3 621.3949 1.5E3 621.4210 6.9E3 638.6070 8.1E3 639.4059 1.0E4 639.4316 9.9E3 639.6105 1.1E3 641.3752 1.6E3 655.4232 1.1E3 656.6177 8.6E3 657.4171 1.1E5 658.4200 1.1E4 665.4113 2.0E3 671.4322 1.3E3 681.4795 2.7E3 683.4221 4.3E3 685.4484 8.7E3 708.4530 1.4E3 709.4373 1.4E3 718.4376 2.1E3 734.5046 1.6E3 736.4479 7.9E3 752.5154 6.5E3 754.4579 9.2E3 755.4620 1.2E3 796.5045 1.3E3 803.5275 1.5E3 821.5366 6.4E3 822.5228 1.5E3 831.5214 2.3E3 839.5460 1.1E3 849.5320 9.7E3 850.5364 1.4E3 867.5422 1.9E4 868.5453 2.5E3 934.6207 2.7E3 935.6044 2.0E3 944.6085 2.1E3 952.6317 1.2E4 953.6348 2.1E3 962.6160 1.9E4 963.6178 3.2E3 980.6263 8.2E4 981.6299 1.5E4 END IONS BEGIN IONS FEATURE_ID=379 PEPMASS=980.6284 SCANS=379 RTINSECONDS=2006.253 CHARGE=1+ MSLEVEL=2 72.0810 1.5E3 86.0967 6.4E3 115.0750 1.2E3 117.0910 3.8E3 175.1323 1.6E3 185.1642 1.0E3 199.1797 1.3E3 201.1225 1.4E3 213.1594 1.6E3 227.1752 7.6E3 229.1178 4.2E3 231.1697 3.6E3 233.1745 1.5E3 282.2784 1.3E3 310.2006 5.4E3 315.2634 1.0E3 326.2429 6.7E3 328.1857 8.7E3 328.2113 4.4E3 338.2319 1.3E3 342.2019 2.4E3 344.2537 1.5E3 346.1965 4.7E3 381.2486 1.3E3 395.2647 4.0E3 399.2230 2.7E3 405.2734 1.6E3 409.2680 1.0E3 413.2750 1.5E3 423.2596 5.5E3 423.2841 1.0E4 427.2544 1.8E3 427.2795 3.5E3 441.2701 3.4E4 441.2942 1.5E4 442.2740 2.0E3 442.2975 1.2E3 443.2376 1.2E3 445.2648 5.1E3 445.2904 1.9E3 451.3152 1.4E3 455.2861 2.8E3 469.3263 1.5E3 508.3483 5.5E3 512.3068 2.3E3 512.3679 2.6E3 518.3575 3.9E3 522.3276 1.2E3 522.3522 1.9E3 526.3591 4.6E3 530.3171 1.3E3 536.3435 5.2E3 536.3682 1.2E4 537.3725 1.3E3 540.3382 4.6E3 540.3630 1.2E4 541.3661 1.2E3 552.2993 1.1E3 554.3538 1.1E4 554.3788 2.4E4 555.3824 2.0E3 556.3222 2.4E3 558.3479 4.7E3 564.4000 1.6E3 572.3633 4.2E3 582.4091 1.7E3 609.3846 1.7E3 617.4266 2.8E3 620.5956 1.7E3 621.4205 1.3E3 625.3900 2.9E3 625.4290 2.1E3 625.4525 2.1E3 627.3960 1.5E3 635.4369 8.2E3 636.4409 1.0E3 637.3786 3.8E3 638.6066 1.2E4 639.4313 2.9E3 639.6103 1.6E3 643.4012 2.4E4 644.4038 2.0E3 653.4213 1.5E4 653.4473 2.4E4 654.4240 1.4E3 654.4506 2.7E3 655.3903 1.1E4 656.3925 1.2E3 656.6173 1.6E4 657.4162 2.9E3 657.6200 1.4E3 669.4061 1.3E3 671.4324 1.2E5 672.4359 1.3E4 681.4798 1.5E3 709.4363 2.9E3 722.4704 2.2E3 724.5198 1.2E3 732.4524 1.8E3 734.5038 2.8E3 736.4484 1.7E3 750.4630 8.6E3 752.5154 7.4E3 753.5202 1.3E3 754.4590 3.5E3 766.5318 1.4E3 768.4736 9.6E3 769.4750 1.0E3 803.5269 1.3E3 821.5362 5.7E3 822.5200 1.8E3 849.5316 9.8E3 853.5633 1.7E3 863.5469 4.1E3 865.5991 1.8E3 867.5416 1.1E4 868.5458 1.3E3 881.5571 1.9E4 882.5593 2.6E3 934.6215 2.3E3 935.6010 3.5E3 944.6017 2.3E3 952.6313 1.4E4 953.6353 3.3E3 962.6156 2.5E4 962.7003 1.0E3 963.6174 5.0E3 980.6261 1.1E5 981.6293 1.9E4 END IONS BEGIN IONS FEATURE_ID=380 PEPMASS=980.6626 SCANS=380 RTINSECONDS=2033.919 CHARGE=1+ MSLEVEL=2 86.0967 4.7E3 89.0602 1.3E3 117.0910 4.1E3 133.0858 1.8E3 154.1591 1.3E3 175.1327 1.7E3 199.1804 1.9E3 200.1643 2.9E3 227.1751 5.2E3 229.1181 2.9E3 243.1338 1.5E3 245.1857 1.6E3 255.1697 2.8E3 271.2014 1.3E3 281.2220 1.6E3 283.1646 9.5E3 283.2009 3.6E3 293.1849 3.6E3 296.2214 1.0E3 311.1956 6.9E3 324.2161 7.6E3 326.2426 2.1E3 328.1855 3.2E3 342.2018 4.1E3 342.2278 2.0E3 343.2945 8.2E3 360.2127 2.2E3 392.2534 7.6E3 396.2485 1.2E4 410.2641 3.9E3 414.2588 1.1E4 427.3159 4.2E3 437.2998 7.3E3 441.2703 6.6E3 455.2857 1.5E3 455.3106 1.1E4 456.3789 4.7E3 458.2961 2.2E3 459.2803 1.7E3 472.3382 1.5E3 481.3371 1.4E3 507.2807 3.8E3 509.3326 8.4E3 523.3732 6.9E3 525.2911 1.9E4 526.2943 1.6E3 526.3595 1.9E3 527.3428 2.0E4 528.3474 1.9E3 540.3997 5.9E3 550.3839 5.2E3 554.3542 1.9E3 566.4177 1.2E3 568.3945 1.1E4 569.3981 1.3E3 570.3373 2.0E3 570.4216 1.3E3 571.4052 1.1E4 572.3646 6.6E3 585.4203 3.2E3 586.3796 4.4E3 594.4099 5.8E3 610.3815 2.0E3 622.4161 1.6E3 636.4582 4.6E3 638.3745 9.8E3 638.6068 2.2E3 640.4266 8.6E3 649.4526 1.6E3 655.4277 2.4E3 656.6183 1.6E3 657.4534 1.4E3 665.4105 1.5E3 667.4628 2.9E3 669.4055 1.1E3 670.4733 6.7E3 681.4783 3.0E3 683.4211 5.3E3 685.4482 2.1E3 698.5058 4.4E3 700.4488 1.3E3 707.4935 5.0E3 709.4734 7.2E3 737.4678 2.7E4 738.4711 3.2E3 749.5411 9.1E3 750.5447 1.2E3 751.4570 2.0E3 764.4789 1.4E3 769.4677 2.6E3 778.4952 1.4E3 780.5475 1.3E3 782.4879 3.6E3 796.5053 3.3E3 804.5472 1.2E3 820.5778 5.7E3 822.5558 4.1E3 832.5422 1.8E3 848.6089 1.6E4 849.6122 2.7E3 850.5520 3.0E4 851.5547 5.2E3 867.5785 1.3E3 877.5628 1.0E3 881.5948 1.1E3 891.5761 1.0E3 893.6298 1.2E3 895.5736 1.8E4 896.5759 2.8E3 901.6340 1.3E3 909.5897 7.3E3 919.6446 5.0E3 920.6498 1.5E3 935.6385 2.8E3 936.6732 1.6E3 945.6261 1.2E3 962.6526 6.5E3 963.6362 2.9E4 964.6394 5.9E3 980.6627 1.3E5 981.6661 2.9E4 END IONS BEGIN IONS FEATURE_ID=381 PEPMASS=987.5174 SCANS=381 RTINSECONDS=1035.87 CHARGE=1+ MSLEVEL=2 192.1015 1.3E3 303.1697 4.9E3 338.1705 5.7E3 344.1967 2.1E3 419.2278 1.3E3 437.2390 1.2E3 450.2380 7.7E3 451.2415 1.1E3 480.2808 1.3E3 507.2603 1.7E3 533.2748 1.1E4 534.2764 1.2E3 538.2861 1.6E3 551.2855 6.7E3 607.3437 1.3E3 632.3434 1.5E4 633.3436 2.4E3 650.3519 2.3E3 685.3531 1.4E3 721.3906 1.8E3 798.4382 3.5E3 987.5147 3.0E3 END IONS BEGIN IONS FEATURE_ID=382 PEPMASS=987.5175 SCANS=382 RTINSECONDS=1097.268 CHARGE=1+ MSLEVEL=2 86.0964 3.4E3 120.0804 2.9E3 173.0916 1.3E3 192.1018 9.1E3 201.1231 2.7E3 221.1279 1.4E3 246.1443 1.0E3 249.1229 1.3E3 267.1333 6.8E3 272.1595 1.3E3 303.1700 2.4E4 330.1809 3.2E3 338.1705 2.9E4 339.1740 2.0E3 344.1961 7.8E3 347.1920 1.8E3 348.1915 2.2E3 362.2068 3.3E3 419.2281 5.8E3 422.2433 3.3E3 433.2797 1.2E3 437.2387 7.8E3 443.2639 3.7E3 450.2382 3.4E4 451.2413 2.8E3 461.2751 1.9E3 494.2600 5.0E3 507.2595 6.4E3 514.3013 2.5E3 523.2911 1.8E3 532.3123 5.2E3 533.2751 4.4E4 534.2791 5.3E3 538.2867 8.7E3 551.2853 3.2E4 552.2883 3.7E3 589.3332 1.2E3 604.3484 1.7E3 606.3270 3.8E3 607.3444 9.5E3 632.3433 7.4E4 633.3447 9.7E3 650.3536 1.4E4 651.3572 1.5E3 685.3541 6.6E3 703.3810 1.9E3 721.3916 7.2E3 722.3947 1.2E3 778.4125 1.8E3 798.4387 1.2E4 799.4412 1.4E3 822.4384 1.8E3 941.5116 3.4E3 969.5057 1.4E3 987.5176 2.0E4 988.5196 4.3E3 END IONS BEGIN IONS FEATURE_ID=383 PEPMASS=990.6449 SCANS=383 RTINSECONDS=2031.986 CHARGE=1+ MSLEVEL=2 72.0809 2.5E3 86.0965 3.1E4 86.0981 1.6E3 86.0985 1.5E3 115.0752 1.2E3 117.0907 3.6E3 133.0853 1.5E3 175.1322 2.0E3 185.1642 1.0E3 199.1799 2.0E3 213.1596 2.3E3 227.1752 6.9E3 229.1176 1.5E3 233.1741 1.4E3 243.1332 1.0E3 245.1860 2.5E3 296.1962 3.7E3 296.2209 1.5E3 306.2059 2.3E3 323.2323 1.9E3 324.1913 3.4E3 324.2162 1.6E4 325.1746 1.2E3 326.2434 3.0E3 328.1858 1.1E4 338.2068 1.5E3 342.2019 6.2E3 342.2267 5.8E3 360.2118 1.7E3 380.2169 1.2E3 391.2947 5.4E3 395.2646 1.6E4 408.2121 1.9E3 409.2803 8.0E3 409.3044 2.1E3 410.2639 1.5E3 413.2744 1.3E3 419.2897 1.7E4 423.2594 1.1E4 427.3158 1.8E3 436.3159 1.1E3 437.2769 4.7E3 437.3002 2.2E4 438.3033 1.9E3 441.2698 1.9E4 451.2542 1.3E3 455.2859 4.6E3 455.3105 1.2E4 459.2805 3.9E3 469.2644 1.3E3 504.3785 6.8E3 508.3486 1.2E4 509.3326 1.4E3 518.3578 1.1E3 522.3641 4.9E3 522.3897 1.7E3 532.3736 5.3E4 533.3764 6.0E3 536.3433 6.4E3 536.3674 1.8E3 550.3597 1.3E3 550.3840 2.9E4 551.3871 3.1E3 552.3019 2.9E3 554.3538 1.8E4 555.3582 1.9E3 568.3695 1.2E4 568.3946 1.0E4 569.3726 1.3E3 569.3962 1.1E3 572.3638 2.0E3 574.3588 1.5E3 619.4030 2.5E3 621.4326 1.2E4 622.4148 1.1E3 631.4417 3.3E4 632.4446 4.2E3 637.4158 8.5E3 647.3997 2.7E3 648.3840 2.9E3 649.4264 2.1E3 649.4521 2.3E4 650.4558 2.8E3 652.4638 1.1E3 663.4685 2.1E3 665.3847 1.0E3 665.4106 1.2E4 666.4145 1.7E3 667.4376 1.8E5 668.4407 2.0E4 691.4637 3.2E3 693.4059 1.1E3 718.4738 2.7E3 719.4569 2.1E3 732.4899 3.4E3 733.4720 1.8E3 734.5425 1.1E3 736.4838 1.7E3 746.4683 1.7E4 747.4699 2.0E3 750.5010 3.4E3 751.4584 1.1E3 760.4848 5.0E3 761.4675 2.9E3 762.5358 1.7E4 763.5382 2.5E3 764.4788 1.0E4 776.5522 1.1E3 778.4946 9.2E3 804.5467 1.8E3 831.5577 9.9E3 832.5372 4.2E3 845.5737 1.4E3 846.5593 1.4E3 849.5683 3.1E3 859.5519 1.4E4 860.5518 1.7E3 863.5845 3.1E3 873.5705 3.6E3 874.5531 1.7E3 875.6196 1.0E3 877.5631 2.2E4 878.5652 3.5E3 887.5479 1.1E3 891.5787 1.6E4 892.5815 2.0E3 903.6146 2.1E3 905.5561 2.5E3 944.6415 3.0E3 945.6248 4.4E3 946.6571 1.2E3 962.6524 2.5E4 963.6555 5.3E3 972.6367 1.8E4 973.6391 4.2E3 990.6472 1.8E5 991.6505 3.8E4 END IONS BEGIN IONS FEATURE_ID=384 PEPMASS=994.6440 SCANS=384 RTINSECONDS=1976.32 CHARGE=1+ MSLEVEL=2 70.6886 1.5E3 71.3545 1.7E3 72.0810 1.8E3 74.5198 1.5E3 78.0831 1.5E3 84.0446 3.2E3 85.5634 1.5E3 86.0964 3.8E4 88.7406 1.6E3 89.0598 1.7E3 91.5083 3.3E3 91.7528 1.6E3 95.9284 1.6E3 97.3302 1.6E3 102.9564 1.7E3 115.4476 2.0E3 116.2060 1.7E3 116.3136 1.7E3 117.0909 1.9E3 125.3315 1.7E3 130.0494 1.9E3 142.5042 1.7E3 175.1320 2.1E3 176.3522 1.8E3 185.1638 3.4E3 199.1799 7.6E3 199.8699 1.8E3 201.1228 7.9E3 213.1595 1.9E4 220.0605 1.8E3 227.1752 1.8E4 229.1181 1.9E4 231.1695 4.2E3 236.0601 1.7E3 243.1333 2.0E3 245.1852 2.5E4 252.9945 2.1E3 255.1328 1.7E3 256.8867 1.7E3 277.2390 1.8E3 283.1639 1.6E3 298.2120 1.1E4 299.1711 1.8E3 300.1552 2.0E4 310.2000 2.2E3 311.1948 2.0E3 312.0126 1.8E3 312.2273 1.1E4 313.1382 2.9E3 324.2161 2.0E4 326.2426 3.1E3 328.1858 2.5E4 328.2116 1.8E3 338.2318 2.1E4 340.2581 2.9E3 342.2023 1.2E4 342.2267 1.4E4 343.2948 5.1E3 346.3529 1.7E3 356.2423 1.1E4 357.3092 2.3E3 358.2691 2.2E3 360.2122 2.5E4 361.2148 2.6E3 367.2333 9.1E3 381.2486 7.6E3 385.2435 4.6E3 391.3434 2.0E3 395.2283 1.1E4 395.2638 4.9E3 399.4923 2.3E3 409.2441 1.4E4 409.2811 1.7E3 411.7120 1.9E3 413.2387 9.2E4 413.2749 4.0E3 414.2411 6.2E3 414.2578 2.9E3 423.2594 6.0E3 423.2845 2.9E4 424.2875 4.0E3 426.2207 2.3E3 427.2543 7.1E4 428.2588 3.2E3 431.2497 2.2E4 433.3058 2.2E3 437.2999 4.1E3 441.2704 3.8E4 441.2951 3.0E4 441.4867 1.8E3 443.3215 2.8E3 451.3159 3.2E4 454.4144 1.9E3 455.2852 6.5E3 455.3105 1.4E4 459.2806 1.9E4 469.3268 3.6E4 470.3320 2.2E3 473.3212 6.1E3 476.2911 1.8E3 480.3168 1.2E4 481.3014 3.0E3 487.3367 3.9E3 494.3335 1.5E4 495.3176 3.7E3 497.2594 2.5E3 498.3280 1.5E4 499.3109 3.4E3 508.3129 1.7E4 508.3476 3.7E3 512.3435 1.2E4 518.3578 1.2E4 522.3278 1.4E4 524.3318 2.5E3 525.0634 2.1E3 526.3228 4.8E4 526.3564 2.5E3 526.3843 2.0E3 527.3257 4.8E3 536.3434 4.8E3 536.3680 3.4E4 537.3707 3.8E3 538.2855 1.8E3 538.3467 2.9E3 540.3384 3.6E4 540.3629 4.5E3 540.3997 5.0E3 541.3407 2.2E3 544.3322 1.9E4 545.3389 1.9E3 546.3881 8.1E3 547.3916 1.9E3 550.3842 2.1E3 552.3277 4.4E3 554.3535 2.2E4 554.3790 6.4E4 554.4148 5.3E3 555.3577 2.1E3 555.3824 8.5E3 558.3491 7.7E3 564.3997 3.3E4 566.3424 2.1E3 568.3945 2.6E4 569.3992 3.0E3 570.3377 9.6E3 571.4043 2.6E3 572.3641 3.2E4 582.4104 7.1E4 583.4140 7.3E3 584.3524 4.0E3 585.4211 2.2E3 593.4017 4.9E3 611.4105 7.1E3 617.4250 1.9E4 621.3971 2.4E3 623.4007 3.9E3 625.4269 3.9E3 626.4120 3.0E3 635.4095 3.5E3 635.4365 4.2E4 636.4409 5.4E3 637.3801 3.9E3 637.4163 2.8E3 638.6176 1.9E3 639.4064 4.2E4 643.4005 1.5E4 648.2254 2.6E3 649.4520 5.4E3 649.4919 2.2E3 651.3954 5.8E3 653.4213 3.3E4 653.4474 8.2E4 654.4256 3.4E3 654.4501 1.0E4 655.3901 4.6E3 655.4285 4.1E3 656.4586 2.3E3 657.4169 3.7E5 658.4205 4.5E4 665.4109 9.7E3 667.4380 3.2E3 667.4633 1.2E4 668.4663 2.9E3 669.4066 1.1E4 669.4415 2.0E3 671.4327 3.9E5 672.4355 5.0E4 677.4821 5.3E3 679.4280 5.8E3 683.4220 2.9E4 685.4483 3.4E4 686.4507 5.4E3 695.4630 2.7E3 695.4923 1.1E4 697.4372 1.5E4 722.4695 9.1E3 723.4520 6.0E3 732.4514 1.3E4 736.4837 5.9E3 737.4691 7.6E3 738.5371 2.2E3 746.4699 2.2E3 748.5201 7.6E3 750.4639 4.3E4 751.4663 4.6E3 764.4791 1.6E4 764.5113 3.8E3 766.5310 4.8E4 767.5347 8.1E3 768.4747 3.7E4 769.4771 5.3E3 780.5486 2.6E3 782.4896 2.1E4 783.4922 3.5E3 792.5096 3.5E3 807.5573 3.0E3 808.5768 3.5E3 810.5203 6.2E3 817.5424 5.4E3 834.5912 2.3E3 835.5529 3.6E4 836.5377 9.6E3 845.5359 1.3E4 850.5505 2.5E3 853.5621 5.4E3 854.5640 2.4E3 859.5498 2.1E3 863.5480 5.8E4 864.5518 1.3E4 867.5769 5.5E3 868.5868 3.1E3 877.5642 1.4E4 878.5643 2.4E3 879.6154 8.3E3 881.5577 1.2E5 882.5616 2.0E4 895.5739 3.0E4 896.5770 5.3E3 905.5927 3.4E3 923.6072 3.1E3 930.6294 3.3E3 948.6370 1.7E4 949.6196 1.8E4 950.6254 4.9E3 958.6206 1.1E4 966.6471 7.7E4 967.6495 1.4E4 976.6316 1.3E5 977.6353 3.0E4 994.6424 6.1E5 995.6455 1.4E5 END IONS BEGIN IONS FEATURE_ID=385 PEPMASS=1004.6650 SCANS=385 RTINSECONDS=2118.125 CHARGE=1+ MSLEVEL=2 85.0761 3.7E3 86.0966 1.7E3 87.0441 1.0E3 101.0709 2.2E3 115.0752 2.1E3 117.0911 4.7E3 131.0811 1.4E3 133.0856 1.7E3 175.1329 3.2E3 227.1752 1.3E3 233.1738 1.3E3 296.1967 1.5E3 324.1915 1.3E3 326.2430 1.0E3 338.2319 4.2E3 342.2020 1.2E3 356.2420 1.4E3 395.2650 3.1E3 409.2806 2.3E3 423.2591 1.3E3 441.2702 3.7E3 451.3161 3.3E3 455.2853 1.3E3 469.3263 3.4E3 508.3487 1.5E3 522.3644 1.8E3 546.3888 1.5E3 554.3538 6.8E3 555.3577 1.5E3 564.3997 2.7E3 568.3699 4.6E3 582.4103 4.2E3 621.4333 4.3E3 651.4318 2.8E3 667.4380 8.2E4 668.4413 9.7E3 679.4265 3.9E3 681.4803 2.0E3 764.5155 1.1E3 774.5000 1.5E3 778.4954 1.1E3 792.5107 3.0E3 845.5715 1.1E3 846.5599 1.5E3 891.5808 2.5E3 905.5935 5.7E3 976.6678 4.9E3 977.6730 1.1E3 986.6527 2.7E3 1004.6632 3.2E4 1005.6673 8.2E3 END IONS BEGIN IONS FEATURE_ID=386 PEPMASS=1008.6596 SCANS=386 RTINSECONDS=2031.986 CHARGE=1+ MSLEVEL=2 69.7177 2.7E3 70.5765 2.6E3 70.9614 2.5E3 72.0810 3.5E3 83.6106 2.7E3 85.5445 2.3E3 86.0965 4.0E4 86.0981 5.9E3 87.5886 2.7E3 90.9795 2.9E3 91.5082 5.1E3 99.4392 2.6E3 108.8911 2.7E3 117.0909 6.6E3 123.8559 3.0E3 125.0106 3.1E3 129.3126 2.9E3 132.1015 3.4E3 137.4077 2.8E3 158.2429 3.0E3 161.9492 3.4E3 186.8980 3.1E3 188.7232 2.9E3 196.4027 2.8E3 198.3271 2.9E3 199.1800 1.1E4 201.1229 6.7E3 223.4350 3.1E3 227.1753 3.9E4 229.1181 2.0E4 243.1331 4.8E3 245.1857 2.4E4 246.5781 2.8E3 274.0530 3.5E3 274.7860 3.6E3 296.1961 3.8E3 297.1813 3.4E3 300.1911 5.0E3 311.1955 5.9E3 324.2163 4.5E4 326.2433 2.4E4 327.3474 2.9E3 328.1858 3.6E4 338.2327 3.8E3 341.7073 3.1E3 342.2020 2.4E4 342.2272 2.4E4 343.2956 4.1E3 344.2536 4.5E3 344.5668 3.1E3 358.2681 3.7E3 360.2119 3.3E4 382.8618 3.4E3 395.2642 2.4E4 408.4220 4.0E3 409.2798 5.0E3 409.3051 3.8E3 413.2739 1.1E4 417.5476 3.2E3 419.2891 8.1E3 423.2595 3.0E4 427.2545 4.1E3 437.2751 8.1E3 437.3005 5.3E4 438.3047 3.5E3 440.5927 3.2E3 441.2700 1.9E5 442.2737 1.5E4 455.2870 2.0E4 455.3108 8.2E4 456.3149 5.0E3 457.2535 9.0E3 457.3372 8.7E3 459.2804 3.8E4 473.2955 4.5E3 473.3214 1.2E4 507.2804 4.3E3 508.3480 3.1E4 509.3333 6.3E3 509.3506 3.8E3 519.4005 3.3E3 522.3900 6.0E3 524.3080 3.2E3 524.3297 4.7E3 525.2917 5.5E3 526.3589 2.0E4 532.3733 2.9E4 533.3765 5.4E3 536.3435 3.0E4 536.3669 6.0E3 540.3995 1.0E4 542.3409 6.3E3 550.3838 7.3E4 551.3876 9.4E3 552.3276 6.8E3 554.3542 8.3E4 555.3572 1.2E4 568.3695 1.1E4 568.3945 1.8E5 569.3979 2.2E4 570.3369 1.8E4 570.4211 5.5E3 572.3647 5.6E4 573.3674 6.0E3 573.8212 3.2E3 586.3803 1.8E4 587.3833 3.1E3 631.4404 1.9E4 637.4163 1.1E4 639.4414 6.7E3 649.4275 6.9E3 649.4523 5.6E4 650.4302 3.8E3 650.4563 7.6E3 651.3951 1.1E4 653.4841 5.4E3 655.4268 7.6E3 665.4111 3.0E4 667.4373 8.0E4 667.4634 1.0E5 668.4404 4.7E3 668.4672 8.6E3 669.4050 8.1E3 671.4329 1.8E4 681.4796 2.6E4 682.4810 3.5E3 683.4218 6.0E4 684.4259 9.6E3 685.4484 8.5E5 686.4518 1.1E5 698.5030 5.9E3 736.4857 6.4E3 737.4673 1.5E4 746.4688 1.3E4 750.4979 4.2E3 754.4931 3.7E3 762.5369 8.7E3 764.4792 3.2E4 765.4839 4.6E3 778.4968 1.8E4 780.5468 5.1E4 781.5509 5.9E3 782.4895 4.3E4 783.4928 7.9E3 794.5619 6.6E3 796.5051 2.2E4 797.5084 6.5E3 808.3832 3.3E3 831.5573 5.2E3 849.5682 3.6E4 850.5489 1.7E4 859.5553 9.8E3 860.5591 3.5E3 867.5760 5.0E3 877.5639 6.2E4 878.5665 1.1E4 891.5783 1.6E4 893.6304 6.8E3 895.5739 1.1E5 896.5779 2.0E4 909.5909 3.7E4 910.5911 5.7E3 962.6518 1.8E4 963.6355 1.7E4 964.6354 5.6E3 972.6371 1.1E4 980.6631 7.5E4 981.6667 1.2E4 990.6478 1.5E5 991.6519 2.4E4 1008.6582 6.1E5 1009.6616 1.4E5 1012.1671 5.5E3 1012.9461 5.0E3 END IONS BEGIN IONS FEATURE_ID=387 PEPMASS=1008.6591 SCANS=387 RTINSECONDS=2228.581 CHARGE=1+ MSLEVEL=2 117.0912 2.1E3 229.1184 1.2E3 328.1861 1.6E3 342.2013 1.1E3 360.2125 1.3E3 423.2589 1.2E3 437.3003 1.7E3 441.2702 7.8E3 455.3107 3.1E3 527.3434 1.2E3 536.3436 1.3E3 550.3851 2.2E3 554.3530 2.8E3 568.3952 4.9E3 572.3646 1.2E3 667.4368 2.1E3 667.4626 3.8E3 671.4341 2.2E3 681.4783 1.2E3 683.4211 2.4E3 685.4485 2.6E4 686.4522 3.1E3 764.4778 1.2E3 778.4928 1.5E3 780.5458 1.6E3 782.4879 1.6E3 796.5038 1.4E3 849.5657 1.3E3 877.5626 2.0E3 895.5729 4.0E3 909.5873 1.7E3 980.6630 2.2E3 990.6448 3.9E3 1008.6550 2.0E4 1009.6578 4.2E3 END IONS BEGIN IONS FEATURE_ID=388 PEPMASS=1008.6960 SCANS=388 RTINSECONDS=2208.447 CHARGE=1+ MSLEVEL=2 283.1648 1.6E3 311.1960 1.2E3 371.3257 1.5E3 392.2534 1.5E3 396.2478 2.1E3 414.2590 2.3E3 441.2702 1.2E3 483.3419 1.4E3 525.2911 2.8E3 527.3431 2.6E3 572.3647 1.2E3 596.4261 1.2E3 599.4367 2.2E3 622.4413 1.1E3 638.3767 2.2E3 640.4259 1.4E3 685.4474 1.8E3 698.5039 1.6E3 765.5009 3.0E3 777.5711 1.1E3 848.6093 1.5E3 876.6415 2.8E3 878.5822 4.1E3 879.5833 1.1E3 923.6056 2.2E3 947.6752 1.1E3 991.6661 4.5E3 992.6700 1.1E3 1008.6960 2.0E4 1009.6982 4.6E3 END IONS BEGIN IONS FEATURE_ID=389 PEPMASS=1011.6677 SCANS=389 RTINSECONDS=2111.813 CHARGE=1 MSLEVEL=2 85.0766 2.4E3 86.0970 5.0E3 87.0444 2.2E3 89.0601 3.3E3 99.0807 2.5E3 115.0756 3.2E3 117.0912 1.3E4 133.0859 4.5E3 153.1016 1.1E3 157.1224 2.1E3 175.1328 6.6E3 177.1124 1.6E3 199.1808 1.7E3 227.1751 3.0E3 228.1793 1.8E3 229.1191 1.5E3 233.1745 3.6E3 245.1859 2.2E3 291.2156 2.0E3 300.1554 1.6E3 324.2174 1.5E3 328.1859 1.1E3 342.2030 1.5E3 352.2487 1.4E3 360.2132 1.8E3 361.2164 1.5E3 413.2388 4.8E3 414.2424 5.5E3 415.2450 2.1E3 432.2527 1.2E3 437.3020 1.3E3 438.3046 1.4E3 439.3070 1.2E3 441.2704 3.7E3 442.2740 6.0E3 443.2755 2.3E3 455.3106 2.0E3 456.2898 1.1E3 456.3150 3.2E3 457.3164 2.0E3 460.2841 1.2E3 465.3330 1.5E3 466.3366 1.6E3 467.3388 1.4E3 481.3216 1.0E3 483.3426 1.3E3 484.3454 2.1E3 485.3484 1.7E3 526.3253 1.8E3 527.3267 1.9E3 528.3293 1.7E3 550.3854 1.3E3 551.3865 2.1E3 552.3915 1.4E3 554.3551 1.5E3 555.3586 1.8E3 556.3614 1.4E3 568.3968 1.7E3 569.3982 5.4E3 570.4008 5.6E3 573.3698 1.0E3 579.4196 1.4E3 597.4281 3.9E3 598.4317 3.8E3 599.4363 1.2E3 640.4106 2.1E3 641.4119 2.3E3 650.4573 1.3E3 651.4585 2.9E3 652.4634 1.0E3 657.4167 6.6E3 658.4204 1.8E4 659.4229 2.0E4 660.4263 6.0E3 667.4622 1.1E3 668.4672 5.0E3 669.4435 1.3E3 669.4703 6.0E3 670.4737 1.3E3 672.4363 2.7E3 673.4386 3.6E3 684.4270 1.1E3 685.4511 5.1E3 686.4523 1.7E4 687.4547 2.2E4 688.4573 5.6E3 713.4611 1.2E3 739.4741 1.0E3 765.4831 1.4E3 766.4869 3.2E3 781.5508 1.4E3 782.5546 3.5E3 783.4937 1.7E3 783.5555 1.1E3 784.4962 3.5E3 785.4996 1.3E3 798.5124 1.0E3 851.5767 2.5E3 861.5591 1.2E3 878.5662 1.1E3 879.5696 4.0E3 880.5732 3.2E3 896.5776 2.9E3 897.5808 1.0E4 898.5836 4.6E3 911.5971 2.0E3 964.6589 1.6E3 965.6450 1.2E3 974.6446 1.0E3 982.6691 7.6E3 983.6714 3.3E3 992.6534 1.3E4 993.6579 7.2E3 1010.6643 5.2E4 1011.6676 3.3E4 1012.6720 2.6E3 END IONS BEGIN IONS FEATURE_ID=390 PEPMASS=1016.6249 SCANS=390 RTINSECONDS=1982.399 CHARGE=1+ MSLEVEL=2 85.0763 1.3E3 87.0443 1.9E3 89.0603 1.1E3 91.5079 2.7E3 95.8273 1.0E3 99.2276 1.0E3 112.9202 2.2E3 112.9953 1.0E3 117.0911 5.3E3 133.0858 1.7E3 175.1143 1.0E3 175.1328 3.0E3 218.4972 1.0E3 225.3711 1.1E3 233.1750 1.8E3 254.2785 1.1E3 263.8625 1.1E3 264.1443 1.0E3 286.4408 1.1E3 363.4118 1.1E3 441.3021 1.1E3 492.4868 1.0E3 518.1382 1.2E3 589.2247 1.1E3 616.8002 1.1E3 647.4012 1.2E3 772.4455 1.7E3 795.6309 1.1E3 841.1572 1.2E3 903.5381 1.3E3 959.5533 2.2E3 1012.1466 1.5E3 1015.2086 1.2E3 1015.6524 7.3E3 1016.6240 1.6E6 1017.6272 3.1E5 END IONS BEGIN IONS FEATURE_ID=391 PEPMASS=1018.6809 SCANS=391 RTINSECONDS=2174.631 CHARGE=1+ MSLEVEL=2 85.0762 1.6E3 86.0966 3.4E3 89.0598 1.3E3 117.0911 3.4E3 133.0856 1.2E3 175.1326 1.6E3 227.1747 1.8E3 233.1734 1.0E3 296.1963 1.1E3 342.2017 2.0E3 352.2475 3.3E3 370.2584 1.0E3 395.2638 1.9E3 409.2805 3.2E3 437.2751 2.0E3 441.2701 3.1E3 455.2865 2.5E3 465.3314 2.5E3 469.3264 1.0E3 483.3430 2.5E3 508.3478 1.6E3 522.3647 2.1E3 546.3890 2.7E3 554.3536 4.6E3 564.3992 1.9E3 568.3696 5.3E3 578.4150 2.3E3 596.4250 2.9E3 621.4315 3.6E3 659.4737 1.7E3 665.4474 2.5E3 667.4377 6.2E4 668.4410 7.6E3 677.4841 2.5E3 681.4528 5.5E3 693.4418 3.1E3 695.4926 2.5E3 747.4881 1.1E3 774.5016 2.0E3 788.5156 1.4E3 790.5677 1.1E3 792.5106 1.6E3 806.5266 1.6E3 859.5895 1.6E3 860.5742 1.4E3 887.5841 1.8E3 891.6150 1.1E3 905.5945 5.3E3 906.5983 1.2E3 919.6113 4.1E3 973.6573 1.3E3 990.6838 5.2E3 991.6884 1.4E3 1000.6681 2.3E3 1018.6785 3.6E4 1019.6816 8.3E3 END IONS BEGIN IONS FEATURE_ID=392 PEPMASS=1018.6821 SCANS=392 RTINSECONDS=2224.531 CHARGE=1+ MSLEVEL=2 86.0968 4.0E3 91.5061 1.6E3 117.0912 2.4E3 328.1866 1.2E3 352.2480 2.1E3 395.2652 1.5E3 409.2807 1.3E3 423.2600 1.3E3 441.2717 2.0E3 447.3214 1.4E3 465.3328 2.7E3 554.3539 2.8E3 560.4048 4.9E3 568.3709 1.3E3 578.4164 3.0E3 596.4266 1.3E3 659.4744 3.1E3 667.4383 1.7E4 668.4409 2.4E3 677.4842 2.1E3 693.4437 1.5E3 774.5010 1.9E3 790.5684 1.8E3 792.5115 1.2E3 905.5941 2.5E3 919.6117 1.3E3 990.6847 3.4E3 1000.6709 2.4E3 1018.6796 1.8E4 1019.6833 3.8E3 END IONS BEGIN IONS FEATURE_ID=393 PEPMASS=1018.6796 SCANS=393 RTINSECONDS=2314.462 CHARGE=1+ MSLEVEL=2 86.0969 3.8E3 328.1868 1.3E3 352.2477 2.0E3 395.2646 2.0E3 423.2599 1.3E3 441.2714 1.8E3 447.3220 1.6E3 465.3312 2.2E3 483.3423 1.1E3 508.3499 1.5E3 554.3534 2.0E3 560.4051 6.0E3 568.3698 1.4E3 578.4150 3.6E3 596.4268 1.4E3 621.4337 1.3E3 659.4732 3.2E3 665.4478 1.4E3 667.4377 1.6E4 668.4402 1.4E3 677.4843 3.7E3 693.4435 1.2E3 774.5012 2.1E3 790.5678 1.9E3 792.5117 1.1E3 806.5248 1.1E3 887.5836 1.4E3 905.5957 3.2E3 919.6086 1.6E3 990.6835 2.8E3 1000.6682 1.6E3 1018.6788 1.7E4 1019.6833 3.3E3 END IONS BEGIN IONS FEATURE_ID=394 PEPMASS=1018.6808 SCANS=394 RTINSECONDS=2323.362 CHARGE=1+ MSLEVEL=2 86.0969 3.8E3 328.1868 1.3E3 352.2477 2.0E3 395.2646 2.0E3 423.2599 1.3E3 441.2714 1.8E3 447.3220 1.6E3 465.3312 2.2E3 483.3423 1.1E3 508.3499 1.5E3 554.3534 2.0E3 560.4051 6.0E3 568.3698 1.4E3 578.4150 3.6E3 596.4268 1.4E3 621.4337 1.3E3 659.4732 3.2E3 665.4478 1.4E3 667.4377 1.6E4 668.4402 1.4E3 677.4843 3.7E3 693.4435 1.2E3 774.5012 2.1E3 790.5678 1.9E3 792.5117 1.1E3 806.5248 1.1E3 887.5836 1.4E3 905.5957 3.2E3 919.6086 1.6E3 990.6835 2.8E3 1000.6682 1.6E3 1018.6788 1.7E4 1019.6833 3.3E3 END IONS BEGIN IONS FEATURE_ID=395 PEPMASS=1020.6591 SCANS=395 RTINSECONDS=2020.249 CHARGE=1+ MSLEVEL=2 71.6443 2.7E3 72.0811 3.6E3 77.5276 2.4E3 78.6155 2.3E3 86.0965 5.4E4 94.6956 3.2E3 94.8779 2.9E3 101.1055 2.5E3 105.7135 2.4E3 109.1158 3.1E3 112.2871 2.4E3 117.0907 8.5E3 120.6910 2.7E3 121.2262 2.8E3 129.2738 2.7E3 130.0497 3.5E3 132.1015 4.3E3 133.8088 2.4E3 137.2879 2.7E3 143.0491 2.8E3 147.8001 3.1E3 151.2115 2.4E3 156.2871 2.7E3 159.8601 2.7E3 175.1320 3.2E3 183.1124 5.9E3 186.5029 2.6E3 188.8178 3.2E3 199.1803 1.4E4 201.1229 1.1E4 207.0462 4.6E3 207.1743 2.6E3 213.1592 7.6E3 215.1027 3.1E3 227.1752 6.8E4 228.1781 3.3E3 229.1185 3.2E4 231.1705 3.1E3 233.1739 3.7E3 243.1335 6.3E3 245.1853 3.5E4 253.0449 2.6E3 281.2215 3.8E3 283.1644 3.8E3 296.1960 7.9E3 308.2210 3.5E3 309.9383 3.2E3 311.1954 8.8E3 316.2976 2.8E3 320.2587 2.9E3 324.1906 4.2E3 325.1752 5.1E3 326.2429 3.9E4 328.1859 5.3E4 328.1980 3.7E3 328.2003 2.5E3 336.2162 6.1E4 340.5288 3.0E3 341.6270 2.7E3 342.2018 3.8E4 344.2538 3.1E3 354.2268 3.7E4 355.2948 1.1E4 356.1810 3.2E3 356.2782 4.3E3 358.2696 3.8E3 360.2123 4.8E4 367.5940 3.1E3 394.1968 3.8E3 395.2647 3.3E4 396.2486 5.3E3 396.2675 5.4E3 402.8448 3.1E3 403.2950 3.7E3 409.2802 5.7E3 413.2758 1.5E4 414.2592 8.6E3 421.3048 4.0E3 423.2594 4.9E4 424.2633 3.7E3 431.2896 9.5E3 437.2754 9.5E3 439.3154 7.7E3 440.3370 2.8E3 441.2702 2.9E5 442.2741 1.6E4 447.2299 2.9E3 449.3002 9.9E4 450.3043 3.2E3 455.2859 3.4E4 457.3378 9.3E3 459.2805 4.8E4 467.3111 1.3E5 468.3133 1.2E4 469.2538 1.1E4 471.3533 3.8E3 473.2953 5.4E3 485.3212 1.8E4 491.8595 3.1E3 507.2810 5.2E3 508.3487 4.3E4 509.3323 9.3E3 509.3516 3.2E3 525.2914 8.6E3 526.3590 3.6E4 527.3431 4.9E3 527.3616 3.2E3 534.3885 8.9E3 534.4080 3.2E3 536.3445 4.6E4 544.3734 3.6E4 548.3668 4.1E3 552.3016 1.0E4 552.3995 2.3E4 554.3539 1.3E5 555.3576 1.3E4 562.3840 1.2E5 563.3872 9.4E3 564.3278 8.0E3 566.3797 8.6E3 568.3216 5.4E3 568.3691 1.5E4 569.3712 3.8E3 570.4213 7.2E3 572.3643 6.6E4 573.3674 6.3E3 580.3947 2.5E5 581.3975 2.5E4 582.3368 2.5E4 583.4043 5.9E3 584.4111 4.0E3 586.3804 2.8E4 587.3821 3.8E3 590.3797 3.1E3 597.4196 4.6E3 619.3818 3.1E3 621.4327 7.4E3 622.4161 3.4E3 638.3754 4.3E3 639.4423 1.7E4 640.4249 5.2E3 643.4421 2.7E4 644.4430 4.7E3 649.4180 1.5E4 661.4521 7.4E4 662.4561 1.1E4 663.3959 1.2E4 665.4852 1.1E4 667.4384 1.1E5 668.4409 1.3E4 673.4661 2.8E3 675.4685 9.7E3 677.4118 3.6E4 678.4154 3.7E3 679.4631 1.7E5 680.4658 2.8E4 681.4065 1.1E4 682.4769 4.6E3 685.4484 1.1E6 686.4516 1.5E5 693.4789 2.6E4 694.4826 3.6E3 695.4211 7.0E4 696.4242 1.1E4 703.4626 5.7E3 710.5046 4.7E3 721.4734 8.3E3 731.4592 5.2E3 748.4850 1.3E4 749.4689 3.0E4 750.4706 4.0E3 758.4696 2.1E4 762.5003 1.0E4 764.5519 6.7E3 766.4946 4.4E3 772.4853 5.5E3 774.5331 1.2E4 775.5396 4.8E3 776.4794 5.4E4 777.4841 1.0E4 780.5117 5.0E3 790.4952 2.9E4 791.4980 4.2E3 792.5466 7.7E4 793.5504 1.6E4 794.4902 6.1E4 795.4922 1.5E4 806.5632 7.9E3 808.5065 3.4E4 843.5583 7.3E3 844.5405 3.9E3 858.5588 3.4E3 860.6122 3.3E3 861.5680 3.6E4 862.5497 3.0E4 863.5555 5.2E3 871.5527 1.5E4 872.5544 3.2E3 875.5822 4.5E3 879.5773 8.2E3 880.5861 4.1E3 889.5637 9.0E4 890.5674 2.0E4 893.5944 8.8E3 903.5786 2.1E4 904.5819 5.2E3 905.6299 1.2E4 907.5741 1.7E5 908.5772 3.2E4 917.5591 4.2E3 921.5899 5.4E4 922.5922 9.4E3 957.6273 3.6E3 974.6519 1.9E4 975.6357 2.5E4 976.6414 4.2E3 984.6375 1.4E4 992.6631 1.2E5 993.6660 2.3E4 1002.6472 1.8E5 1003.6501 4.7E4 1019.6346 3.5E3 1020.6580 7.8E5 1021.6610 1.9E5 END IONS BEGIN IONS FEATURE_ID=396 PEPMASS=1022.5546 SCANS=396 RTINSECONDS=1127.406 CHARGE=1+ MSLEVEL=2 86.0968 1.2E4 120.0806 6.5E3 171.1127 1.2E3 221.1283 2.2E3 233.1645 1.3E3 249.1231 4.5E3 261.1591 2.1E3 272.1599 2.2E3 282.1807 4.1E3 284.1597 3.6E3 290.1705 2.3E3 303.1699 6.5E4 304.1734 3.3E3 330.1806 3.6E3 334.2122 1.4E3 344.1961 1.4E4 348.1915 1.1E3 353.2172 1.3E3 355.1967 2.4E3 355.2331 1.1E3 362.2064 6.6E3 365.2181 1.1E3 373.2072 5.8E3 383.2280 6.5E3 401.2029 1.3E3 422.2433 6.4E3 427.2337 1.2E3 431.2281 1.7E4 432.2311 1.3E3 443.2648 4.6E3 444.2819 1.1E3 450.2380 6.5E4 451.2414 5.7E3 454.2655 7.7E3 461.2746 1.8E3 472.2757 1.0E4 505.2807 2.4E3 507.2597 7.8E3 508.2621 1.1E3 512.2858 1.7E3 523.2904 3.3E3 526.3016 4.9E3 530.2975 2.7E3 533.2748 6.1E4 534.2775 7.2E3 537.3026 2.3E3 544.3121 1.3E4 551.2854 4.0E4 552.2888 3.8E3 555.3121 6.2E3 573.3231 3.9E4 574.3268 3.9E3 601.3338 4.3E3 604.3487 1.9E3 606.3273 2.7E3 625.3688 3.2E3 632.3431 7.0E4 633.3464 9.1E3 643.3802 5.3E3 650.3538 8.1E3 651.3568 1.0E3 684.3695 1.0E3 692.3969 1.4E3 696.4073 1.4E3 702.3812 6.9E3 714.4177 5.5E3 715.3801 4.0E3 720.3914 7.7E4 721.3943 9.6E3 733.3906 1.0E4 734.3947 1.3E3 751.4002 1.3E3 804.4650 3.6E3 805.4811 2.2E3 814.4476 1.4E3 815.4649 1.1E4 816.4680 1.8E3 832.4590 1.3E4 833.4754 1.7E5 834.4785 2.9E4 849.4848 1.2E3 852.4492 4.9E3 903.4958 1.2E4 904.5009 2.3E3 923.4867 2.4E3 951.5151 2.2E3 994.5609 4.0E3 1004.5433 1.7E4 1005.5459 3.3E3 1022.5545 2.2E4 1023.5582 4.3E3 END IONS BEGIN IONS FEATURE_ID=397 PEPMASS=1022.6386 SCANS=397 RTINSECONDS=1602.463 CHARGE=1+ MSLEVEL=2 86.0965 2.3E3 227.1636 1.3E3 227.1750 5.7E3 229.1178 3.3E3 245.1859 2.6E3 326.2431 3.3E3 328.1859 4.5E3 338.1956 1.2E4 342.2018 3.2E3 356.2062 5.4E3 360.2122 4.7E3 395.2648 3.2E3 413.2745 1.3E3 423.2597 4.9E3 433.2689 3.3E3 441.2702 2.9E4 442.2737 2.0E3 451.2794 1.2E4 455.2863 4.4E3 457.3379 1.2E3 459.2809 5.8E3 469.2901 1.8E4 473.2968 1.2E3 487.3011 3.6E3 508.3485 4.5E3 509.3333 1.1E3 526.3586 3.6E3 536.3433 6.2E3 546.3529 4.4E3 554.3539 1.6E4 554.3796 2.1E3 555.3561 1.1E3 564.3633 1.3E4 565.3682 1.1E3 568.3694 1.7E3 572.3643 6.7E3 582.3740 3.1E4 583.3778 3.2E3 584.3169 2.1E3 586.3790 2.8E3 639.4424 1.2E3 645.4215 3.3E3 649.4273 1.2E3 651.3954 1.4E3 663.4316 9.7E3 664.4348 1.6E3 667.4378 1.7E4 668.4407 1.5E3 679.3903 3.5E3 681.4421 2.2E4 682.4452 3.0E3 683.3868 1.4E3 685.4485 1.7E5 686.4515 2.0E4 695.4573 3.6E3 697.4007 8.2E3 750.4640 1.6E3 751.4477 2.8E3 760.4465 1.8E3 776.5183 2.9E3 778.4583 7.8E3 792.4745 2.8E3 794.5259 8.6E3 795.5301 1.3E3 796.4695 8.6E3 797.4734 1.7E3 808.5431 1.3E3 810.4835 4.0E3 845.5351 1.4E3 863.5496 4.4E3 864.5282 2.5E3 873.5308 2.6E3 891.5433 1.2E4 892.5449 2.5E3 905.5576 2.8E3 907.6098 2.0E3 909.5531 2.2E4 910.5554 5.1E3 923.5688 8.3E3 924.5735 1.1E3 976.6328 3.3E3 977.6166 3.9E3 986.6168 2.8E3 994.6412 1.3E4 995.6480 2.9E3 1004.6266 3.3E4 1005.6301 7.3E3 1022.6372 1.3E5 1023.6407 3.1E4 END IONS BEGIN IONS FEATURE_ID=398 PEPMASS=1022.6380 SCANS=398 RTINSECONDS=1881.536 CHARGE=1+ MSLEVEL=2 86.0968 1.3E4 117.0911 2.4E3 175.1324 1.7E3 199.1798 2.2E3 201.1230 2.4E3 227.1751 8.8E3 229.1183 5.8E3 245.1855 9.8E3 320.1855 3.4E3 326.2431 4.5E3 328.1863 1.2E4 338.1952 4.9E3 342.2016 4.5E3 356.2060 4.0E3 358.2689 1.0E3 360.2123 8.0E3 395.2650 3.7E3 413.2751 2.1E3 414.2596 2.1E3 423.2592 4.6E3 423.2841 3.0E3 433.2687 2.0E3 437.2757 1.1E3 441.2700 3.8E4 442.2735 3.0E3 451.2795 4.0E4 452.2831 2.9E3 453.2233 1.1E3 455.2852 4.3E3 457.3376 1.7E3 459.2802 1.2E4 469.2900 1.5E4 470.2931 1.4E3 473.2962 1.9E3 508.3494 4.3E3 526.3589 4.4E3 536.3428 3.5E3 536.3685 8.1E3 538.3109 1.0E3 546.3516 4.3E3 550.3474 1.5E3 554.3536 1.6E4 555.3573 1.6E3 564.3634 6.9E4 565.3668 8.2E3 566.3049 2.5E3 568.3698 2.0E3 572.3641 1.1E4 573.3666 1.5E3 582.3738 2.4E4 583.3773 2.3E3 586.3799 4.5E3 639.4423 1.1E3 645.4224 3.0E3 649.4266 1.3E3 651.3939 1.1E3 663.4316 4.4E4 664.4340 5.8E3 667.4374 1.3E4 668.4402 1.6E3 677.4481 1.5E3 679.3893 2.8E3 681.4417 1.5E4 682.4446 2.3E3 685.4482 1.5E5 686.4515 1.9E4 695.4565 1.9E3 697.4010 3.7E3 705.4404 1.0E3 751.4479 1.7E3 760.4482 1.8E3 776.5134 1.3E3 778.4583 8.6E3 779.4612 1.6E3 790.5294 1.0E3 792.4739 2.0E3 794.5257 4.0E3 796.4681 4.1E3 810.4846 2.6E3 862.5901 1.1E3 863.5471 3.4E3 864.5345 2.0E3 891.5416 9.7E3 892.5453 2.4E3 905.5565 2.2E3 909.5521 1.2E4 910.5556 1.9E3 923.5667 5.3E3 976.6304 1.7E3 977.6132 2.1E3 994.6414 1.0E4 995.6495 2.1E3 1004.6260 1.8E4 1005.6277 3.2E3 1022.6366 6.9E4 1023.6387 1.3E4 END IONS BEGIN IONS FEATURE_ID=399 PEPMASS=1022.6775 SCANS=399 RTINSECONDS=1952.901 CHARGE=1+ MSLEVEL=2 86.0964 6.7E3 91.5081 1.3E3 115.0751 1.4E3 117.0906 4.9E3 175.1323 2.9E3 199.1801 2.4E3 201.1228 1.9E3 227.1754 9.7E3 229.1181 4.7E3 233.1740 1.7E3 245.1856 6.7E3 326.2433 5.4E3 328.1862 7.1E3 338.2316 8.9E3 340.2588 1.3E3 342.2014 4.9E3 356.2426 4.4E3 357.3104 3.1E3 360.2121 5.3E3 395.2646 4.2E3 413.2746 2.0E3 423.2592 5.3E3 433.3062 1.0E3 437.2749 1.3E3 437.3006 1.1E3 441.2700 3.6E4 441.3313 1.5E3 442.2731 1.9E3 451.3159 1.1E4 452.3185 1.3E3 455.2855 9.8E3 457.3370 1.9E3 459.2802 4.8E3 469.3266 1.7E4 470.3286 1.2E3 471.2692 1.3E3 487.3365 1.5E3 507.2799 1.4E3 508.3490 3.8E3 509.3323 1.8E3 525.2906 2.3E3 526.3585 5.2E3 536.3426 5.2E3 546.3892 4.3E3 552.3016 1.2E3 554.3541 2.6E4 554.4142 3.7E3 555.3573 2.6E3 564.4000 1.2E4 565.4036 1.3E3 568.3708 1.4E3 568.3946 2.7E3 570.4225 1.7E3 572.3644 8.0E3 575.5016 1.4E3 582.4100 3.1E4 583.4142 3.4E3 584.3535 4.1E3 586.3790 3.1E3 638.3733 1.7E3 639.4429 1.0E3 645.4575 3.5E3 649.4276 1.2E3 651.4304 2.5E3 663.4684 1.0E4 665.4111 1.6E3 667.4379 1.2E4 667.4994 1.9E3 668.4418 1.4E3 669.4438 2.1E3 677.4842 1.5E3 679.4271 5.7E3 681.4786 1.6E4 682.4824 1.4E3 683.4216 1.4E3 685.4483 1.7E5 686.4514 2.1E4 695.4929 6.0E3 696.4980 1.3E3 697.4371 1.5E4 699.4273 1.4E3 699.4639 4.2E3 750.4996 1.5E3 751.4842 2.6E3 760.4854 2.3E3 764.5165 2.6E3 766.5664 1.1E3 774.5003 1.4E3 776.5533 3.9E3 777.5549 1.2E3 778.4950 7.8E3 792.5103 5.7E3 794.5624 1.5E4 795.5681 2.5E3 796.5056 9.9E3 797.5082 1.0E3 808.5771 2.8E3 810.5208 7.2E3 845.5738 2.2E3 862.6251 1.6E3 863.5841 1.1E4 864.5690 3.1E3 873.5702 2.9E3 881.5961 2.1E3 891.5792 1.8E4 892.5807 3.4E3 895.6093 1.4E3 905.5946 3.1E3 907.6466 3.9E3 909.5897 2.8E4 910.5938 4.2E3 923.6049 1.2E4 924.6082 1.9E3 976.6684 4.2E3 977.6503 3.6E3 986.6559 2.5E3 994.6791 2.2E4 995.6804 4.7E3 1004.6642 3.1E4 1005.6659 7.2E3 1022.6739 1.6E5 1023.6774 3.6E4 END IONS BEGIN IONS FEATURE_ID=400 PEPMASS=1022.6750 SCANS=400 RTINSECONDS=1976.32 CHARGE=1 MSLEVEL=2 84.0447 1.2E3 86.0965 9.2E3 89.0597 1.4E3 117.0908 5.9E3 130.0498 1.0E3 133.0856 1.8E3 175.1330 2.7E3 199.1805 4.6E3 201.1228 2.1E3 227.1753 1.2E4 229.1181 5.4E3 233.1742 1.6E3 245.1858 8.5E3 310.2004 1.4E3 311.1955 1.2E3 326.2432 6.6E3 328.1860 9.8E3 338.2320 1.1E4 340.2582 1.2E3 342.2019 5.8E3 356.2421 4.7E3 357.3100 3.2E3 360.2120 8.4E3 392.2534 1.6E3 395.2648 5.9E3 413.2751 2.3E3 423.2596 7.3E3 423.2842 1.9E3 433.3055 1.6E3 437.2754 1.3E3 441.2702 4.9E4 441.2950 2.3E3 441.3300 2.7E3 442.2736 3.8E3 451.3162 1.4E4 455.2854 1.1E4 457.3382 2.7E3 459.2807 7.4E3 469.3267 2.1E4 470.3295 1.1E3 471.2699 1.5E3 473.2958 1.2E3 487.3371 1.7E3 507.2808 1.5E3 508.3484 5.5E3 509.3329 1.6E3 525.2920 2.4E3 526.3592 7.4E3 536.3435 5.6E3 536.3688 2.3E3 536.4042 1.3E3 537.3478 1.1E3 538.3487 1.4E3 546.3896 6.6E3 552.3016 1.9E3 554.3542 3.4E4 554.3787 3.4E3 554.4147 3.3E3 555.3578 3.6E3 555.3823 1.3E3 564.3998 1.7E4 565.4048 1.5E3 566.3438 2.3E3 568.3696 2.3E3 568.3945 1.3E3 570.4225 1.4E3 572.3644 1.2E4 582.4105 3.5E4 583.4142 3.6E3 584.3533 4.6E3 586.3802 5.3E3 635.4387 1.1E3 638.3747 3.3E3 639.4424 1.6E3 645.4573 4.5E3 649.4273 1.1E3 651.4314 2.5E3 653.4474 2.9E3 663.4680 9.9E3 664.4726 1.6E3 665.4116 1.9E3 667.4379 1.6E4 667.4992 2.2E3 668.4426 2.7E3 669.4433 3.0E3 677.4862 2.2E3 679.4271 4.8E3 681.4785 1.8E4 682.4810 2.5E3 683.4221 2.4E3 685.4485 2.2E5 686.4514 3.0E4 695.4943 7.5E3 697.4374 1.5E4 698.4389 2.4E3 750.5005 1.2E3 751.4866 2.6E3 760.4860 4.1E3 764.5145 2.7E3 766.5661 1.3E3 774.4975 1.3E3 776.5523 5.2E3 778.4951 7.9E3 779.4991 1.3E3 792.5099 5.2E3 794.5628 2.1E4 795.5660 3.2E3 796.5063 9.6E3 797.5089 1.8E3 808.5792 2.4E3 810.5221 7.7E3 811.5227 1.3E3 845.5736 2.2E3 863.5847 1.3E4 864.5673 2.4E3 873.5677 3.3E3 881.5588 2.1E3 881.5957 1.8E3 882.5605 1.1E3 891.5793 2.2E4 892.5834 4.2E3 895.6129 2.0E3 905.5946 4.1E3 907.6461 3.9E3 909.5900 3.3E4 910.5927 5.0E3 923.6049 1.5E4 924.6107 2.7E3 966.6485 1.7E3 976.6309 2.3E3 976.6758 3.0E3 977.6509 5.5E3 986.6535 3.1E3 994.6409 7.7E3 994.6796 2.3E4 995.6390 6.8E3 995.6833 2.7E3 996.6474 2.8E3 1004.6633 3.8E4 1005.6660 7.4E3 1012.5427 1.4E3 1014.5412 2.1E3 1022.6740 1.7E5 1023.6771 3.7E4 1030.5520 7.2E3 1031.5540 6.4E3 1032.5537 7.0E3 1033.5558 2.5E3 1047.5640 1.3E3 1048.5623 2.1E4 1049.5652 2.0E4 1050.5643 1.5E4 1051.5663 4.6E3 1052.5596 1.5E3 END IONS BEGIN IONS FEATURE_ID=401 PEPMASS=1022.6757 SCANS=401 RTINSECONDS=2118.125 CHARGE=1+ MSLEVEL=2 72.0810 2.5E3 75.6539 1.0E3 77.1115 1.3E3 79.7394 1.0E3 84.0447 1.5E3 86.0967 2.9E4 91.0265 1.0E3 91.5059 2.1E3 92.9888 1.1E3 94.5416 1.3E3 107.4175 1.2E3 110.0673 1.2E3 111.9451 1.1E3 117.0909 2.7E3 119.2747 1.1E3 119.3223 1.1E3 121.1205 1.0E3 121.5460 1.1E3 126.9693 1.2E3 130.0496 2.1E3 132.1015 1.7E3 142.8116 1.3E3 148.6253 1.2E3 169.2837 1.1E3 175.1324 1.7E3 185.1646 2.3E3 199.1807 8.0E3 201.1228 3.7E3 207.2304 1.7E3 213.1595 6.8E3 215.1021 2.1E3 223.9490 1.3E3 227.1752 2.8E4 229.1182 1.5E4 231.1699 2.0E3 243.1333 1.8E3 245.1855 1.6E4 274.4651 1.2E3 281.2212 2.1E3 283.2010 1.3E3 286.1647 1.1E3 296.1959 3.7E3 297.1800 1.5E3 309.7452 1.2E3 310.2371 1.3E3 311.1952 1.5E3 312.2274 2.9E3 314.2060 1.9E3 324.1911 2.6E3 326.2433 1.7E4 328.1862 3.1E4 329.1882 1.3E3 338.2319 2.1E4 339.2347 1.4E3 342.2017 1.4E4 344.2546 2.9E3 346.1960 1.3E3 352.2472 3.5E3 356.2420 1.5E4 357.3101 5.6E3 358.2951 1.4E3 360.2121 2.7E4 363.0982 1.2E3 369.4610 1.6E3 370.2585 2.0E3 371.3263 1.4E3 377.6278 1.4E3 381.2489 1.8E3 395.2646 1.1E4 396.2480 3.0E3 403.4828 1.2E3 408.2101 1.5E3 409.2437 2.3E3 409.2790 1.9E3 410.2636 1.9E3 413.2742 7.6E3 414.2590 2.8E3 423.2592 2.0E4 423.3210 4.0E3 427.2543 1.5E4 433.3059 4.1E3 437.2750 3.3E3 439.3267 1.8E3 441.2701 1.3E5 441.3313 2.4E3 442.2739 7.6E3 451.2555 1.8E3 451.3160 4.2E4 452.3201 1.6E3 455.2859 1.3E4 457.3377 4.0E3 459.2806 2.4E4 469.3265 7.3E4 470.3301 4.4E3 470.3950 1.9E3 471.2693 4.8E3 471.3540 2.0E3 473.2979 2.5E3 483.3421 1.4E3 487.3370 9.3E3 491.1873 1.3E3 497.1407 1.2E3 501.3503 2.6E3 508.3483 2.0E4 509.3321 3.7E3 509.3517 2.2E3 512.3442 2.3E3 518.3952 2.0E3 522.3282 2.2E3 525.2906 3.7E3 526.3593 1.6E4 526.7714 1.5E3 527.3425 3.5E3 527.4131 1.2E3 536.3431 1.9E4 536.4042 3.4E3 537.3477 2.3E3 538.3475 1.5E3 540.3382 6.2E3 546.3893 1.8E4 547.3914 2.3E3 550.3597 1.9E3 552.3021 2.6E3 554.3537 5.9E4 554.4139 9.5E3 555.3566 6.0E3 556.3584 1.6E3 564.3995 5.1E4 565.4030 4.2E3 566.3418 5.3E3 568.3699 1.1E4 568.3947 3.1E3 570.3379 2.1E3 570.4213 4.6E3 572.3644 3.1E4 573.3674 2.3E3 582.4102 1.4E5 583.4138 1.3E4 584.3522 1.1E4 585.3577 2.0E3 585.4199 3.0E3 586.3803 1.3E4 596.4244 5.3E3 598.3692 2.2E3 599.4371 1.9E3 607.1931 1.2E3 621.4317 4.0E3 622.4134 1.5E3 633.4203 3.4E3 638.3754 2.0E3 639.4431 1.0E4 640.4274 1.9E3 645.4572 1.4E4 646.4597 2.3E3 649.4262 4.9E3 651.4326 7.4E3 652.3476 1.4E3 653.4221 7.0E3 653.4846 1.8E3 663.4683 3.6E4 664.4721 4.4E3 665.3854 2.1E3 665.4120 2.7E3 667.4379 6.0E4 667.4991 4.8E3 668.4393 8.0E3 669.4436 5.3E3 671.4326 6.9E4 672.4369 9.9E3 677.4830 3.5E3 679.4266 1.5E4 681.4783 9.4E4 682.4815 1.2E4 683.4205 3.7E3 685.4482 5.1E5 686.4514 6.5E4 695.4944 1.5E4 697.4370 3.1E4 698.4390 4.9E3 711.4535 5.0E3 712.5210 3.0E3 723.4874 1.5E3 726.2169 1.2E3 732.4907 1.8E3 750.4982 5.7E3 751.4832 9.5E3 760.4844 9.0E3 763.5546 1.8E3 764.5153 3.6E3 765.4992 3.4E3 766.5662 2.3E3 768.5124 2.0E3 774.5004 1.7E3 775.4828 2.5E3 776.5529 6.5E3 777.5558 2.1E3 778.4951 2.9E4 779.4997 3.9E3 780.5787 1.5E3 782.5241 2.2E3 792.5093 1.3E4 794.5626 3.1E4 795.5648 4.8E3 796.5052 4.0E4 797.5088 8.2E3 808.5773 5.1E3 810.5209 1.8E4 811.5255 2.0E3 826.9592 1.5E3 845.5755 6.6E3 846.5556 1.7E3 862.6240 3.4E3 863.5839 2.1E4 864.5635 7.4E3 865.5725 2.0E3 873.5683 4.9E3 881.5937 4.8E3 887.5836 1.5E3 889.6371 1.9E3 891.5788 4.2E4 892.5828 5.5E3 893.6308 1.6E3 895.6104 3.9E3 905.5951 1.2E4 906.5988 2.4E3 907.6470 6.4E3 908.6479 2.1E3 909.5895 8.8E4 910.5926 1.8E4 923.6053 3.1E4 924.6075 6.5E3 976.6691 1.0E4 977.6505 1.3E4 978.6544 3.3E3 982.1220 1.4E3 986.6534 8.6E3 994.6781 5.4E4 995.6802 1.1E4 1004.6628 1.0E5 1005.6664 2.2E4 1022.6733 4.3E5 1023.6766 9.9E4 END IONS BEGIN IONS FEATURE_ID=402 PEPMASS=1024.6545 SCANS=402 RTINSECONDS=1548.618 CHARGE=1+ MSLEVEL=2 86.0965 1.5E3 227.1747 1.7E3 245.1854 1.1E3 322.2001 1.1E3 326.2434 1.0E3 328.1860 1.5E3 340.2112 1.2E3 360.2127 2.1E3 423.2588 1.5E3 435.2855 2.0E3 441.2702 1.0E4 453.2957 5.1E3 455.2860 1.2E3 459.2808 2.1E3 471.3048 1.7E3 508.3486 2.0E3 526.3588 1.6E3 530.3574 2.1E3 536.3434 2.7E3 538.3856 1.0E3 548.3686 5.0E3 554.3541 6.4E3 566.3790 1.1E4 567.3833 1.5E3 572.3641 2.7E3 629.4274 1.1E3 647.4376 5.5E3 663.3942 1.2E3 665.4475 8.1E3 667.4379 7.0E3 679.4629 1.5E3 681.4052 4.5E3 685.4484 7.9E4 686.4518 9.5E3 762.4637 3.1E3 776.4776 1.6E3 778.5321 3.2E3 780.4742 4.0E3 794.4893 1.7E3 847.5543 3.2E3 875.5482 7.2E3 876.5490 1.2E3 893.5578 1.2E4 894.5627 2.3E3 907.5747 2.2E3 961.6226 1.5E3 978.6466 6.7E3 979.6501 1.1E3 988.6318 1.7E4 989.6367 3.1E3 1006.6425 9.6E4 1007.6452 2.0E4 1024.6539 6.4E3 1025.6570 1.3E3 END IONS BEGIN IONS FEATURE_ID=403 PEPMASS=1024.6524 SCANS=403 RTINSECONDS=1968.543 CHARGE=1 MSLEVEL=2 86.0967 7.5E3 115.0752 1.8E3 117.0911 2.7E3 175.1323 1.2E3 199.1802 1.0E3 227.1752 5.6E3 229.1181 3.0E3 245.1856 6.0E3 310.2118 1.1E3 312.1548 1.4E3 328.2224 4.7E3 330.1651 6.0E3 338.2322 5.7E3 342.2014 2.7E3 352.2478 1.1E3 356.2424 3.7E3 357.3104 1.3E3 360.2119 4.9E3 397.2445 2.7E3 407.2274 1.2E3 415.2548 1.8E3 425.2386 9.2E3 429.2341 2.5E3 433.3058 1.0E3 441.2702 1.3E3 441.3317 1.0E3 443.2492 3.6E4 444.2528 2.6E3 451.3157 9.3E3 457.2646 1.7E3 461.2596 8.4E3 469.3266 1.1E4 470.3298 1.1E3 483.3409 1.1E3 487.3369 2.3E3 510.3278 3.9E3 511.3117 1.3E3 524.3077 1.0E3 527.2693 1.1E3 528.3386 5.3E3 538.3227 8.5E3 542.3173 1.6E3 546.3884 2.2E3 552.3395 1.3E3 554.4149 2.3E3 556.3335 1.5E4 557.3374 1.5E3 564.3995 6.8E3 566.3787 1.4E3 574.3434 9.2E3 575.5025 1.8E3 582.4101 1.9E4 583.4133 2.1E3 584.3528 2.6E3 586.3806 1.2E3 596.4261 1.9E3 623.4117 1.0E3 625.3909 1.1E3 641.4213 1.8E3 647.4374 3.5E3 649.3813 1.1E3 651.4067 3.4E3 651.4324 1.2E3 655.4017 2.7E3 665.4475 8.4E3 666.4501 1.0E3 669.4174 2.2E4 670.4193 2.6E3 673.4119 1.5E4 674.4147 1.7E3 679.4276 2.1E3 683.4583 7.3E3 684.4623 1.2E3 687.4277 1.5E5 688.4313 1.8E4 695.4946 3.1E3 697.4370 6.1E3 698.4396 1.5E3 701.4434 8.5E3 711.4540 1.3E3 744.4520 1.5E3 762.4640 6.0E3 778.5315 5.9E3 780.4747 8.1E3 796.5420 3.1E3 798.4845 9.3E3 810.5217 2.7E3 847.5561 3.0E3 865.5629 2.3E3 866.5485 1.2E3 875.5473 6.9E3 893.5580 1.3E4 894.5613 1.7E3 911.5685 2.1E4 912.5732 3.6E3 923.6055 1.9E3 962.6155 1.9E3 978.6472 4.5E3 979.6290 2.5E3 980.6237 2.9E3 988.6313 8.5E3 989.6349 1.4E3 996.6578 1.4E4 997.6589 3.0E3 1006.6423 5.7E4 1007.6452 1.2E4 1023.6775 1.2E3 1024.6527 1.2E5 1025.6560 2.7E4 END IONS BEGIN IONS FEATURE_ID=404 PEPMASS=1024.6537 SCANS=404 RTINSECONDS=1994.313 CHARGE=1+ MSLEVEL=2 86.0966 6.0E3 115.0752 1.3E3 117.0912 4.6E3 175.1328 2.2E3 199.1801 1.5E3 201.1230 1.3E3 227.1751 6.2E3 229.1181 2.5E3 233.1749 1.0E3 245.1855 6.0E3 322.2008 2.7E3 326.2433 1.8E3 328.1863 3.6E3 328.2229 2.6E3 330.1654 3.8E3 338.2320 3.1E3 340.2111 5.3E3 342.2017 3.1E3 356.2426 1.0E3 358.2218 2.2E3 360.2123 4.0E3 395.2651 1.4E3 397.2434 2.0E3 407.2292 1.0E3 413.2755 1.2E3 415.2549 1.0E3 423.2599 2.3E3 425.2387 4.8E3 426.2226 1.1E3 435.2847 6.4E3 441.2701 1.7E4 442.2735 1.6E3 443.2494 1.8E4 451.3164 4.2E3 453.2951 9.2E3 454.2985 1.4E3 455.2855 2.6E3 459.2802 2.8E3 461.2596 5.0E3 469.3266 7.3E3 471.3059 4.7E3 508.3486 1.9E3 510.3291 2.6E3 525.2916 1.3E3 526.3596 2.0E3 528.3393 2.4E3 536.3423 2.6E3 538.3227 4.4E3 548.3686 9.6E3 554.3535 5.8E3 556.3333 9.2E3 564.4000 4.1E3 565.3666 1.6E3 566.3790 1.1E4 568.3693 1.0E3 572.3644 4.2E3 574.3430 4.5E3 575.5023 1.3E3 582.4104 1.1E4 583.4138 1.4E3 584.3526 1.6E3 584.3901 7.5E3 586.3806 1.2E3 629.4257 1.4E3 647.4368 8.4E3 648.4386 1.7E3 651.4065 2.8E3 663.3963 1.1E3 665.4473 1.1E4 666.4509 1.4E3 667.4373 4.3E3 669.4167 1.1E4 670.4185 1.3E3 671.4329 1.8E3 672.4364 2.2E3 673.4110 2.0E3 681.4061 3.8E3 683.4576 8.0E3 685.4487 3.0E4 686.4512 6.3E3 687.4277 8.6E4 688.4315 1.1E4 695.4944 1.3E3 697.4370 4.3E3 699.4172 2.2E3 701.4426 1.7E3 744.4512 1.0E3 753.4645 1.1E3 762.4636 6.2E3 778.5316 4.4E3 780.4742 9.3E3 794.4890 2.0E3 796.5420 3.8E3 798.4850 7.0E3 810.5208 1.2E3 835.5894 1.3E3 847.5521 2.3E3 865.5644 3.0E3 875.5476 5.7E3 876.5494 1.4E3 893.5576 1.4E4 894.5607 2.6E3 907.5707 3.1E3 911.5688 1.6E4 912.5728 3.2E3 925.5845 2.0E3 962.6124 1.0E3 978.6472 4.4E3 979.6349 1.6E3 980.6255 1.5E3 988.6314 9.4E3 989.6362 1.3E3 996.6580 1.1E4 997.6591 2.2E3 1006.6423 6.1E4 1007.6458 1.2E4 1023.6385 1.8E3 1023.6866 2.2E3 1024.6525 1.2E5 1025.6559 2.6E4 END IONS BEGIN IONS FEATURE_ID=405 PEPMASS=1025.6851 SCANS=405 RTINSECONDS=2178.087 CHARGE=1 MSLEVEL=2 86.0967 4.5E3 87.0445 1.2E3 89.0601 2.6E3 91.5063 1.8E3 115.0756 2.6E3 117.0911 6.5E3 133.0855 2.3E3 175.1327 3.7E3 177.1121 1.2E3 227.1751 3.0E3 228.1786 1.3E3 229.1183 1.6E3 233.1747 2.9E3 245.1859 1.7E3 328.1869 1.7E3 329.1906 1.4E3 338.2316 1.0E3 339.2362 2.0E3 342.2023 1.3E3 356.2433 1.1E3 360.2121 1.4E3 361.2162 1.6E3 441.2703 6.5E3 442.2740 6.8E3 443.2758 3.6E3 451.3159 2.0E3 452.3194 3.0E3 453.3221 1.1E3 469.3260 2.5E3 470.3293 4.1E3 471.3325 2.1E3 554.3539 2.7E3 555.3568 3.2E3 556.3595 2.1E3 565.4036 3.0E3 566.4057 2.2E3 572.3659 1.6E3 573.3684 2.2E3 574.3710 1.5E3 582.4100 3.7E3 583.4133 5.8E3 584.4167 5.5E3 585.4200 1.4E3 647.4633 1.0E3 653.4372 1.0E3 664.4731 1.0E3 665.4749 2.7E3 668.4410 2.9E3 669.4431 2.6E3 672.4374 1.8E3 681.4341 1.1E3 681.4797 1.4E3 682.4808 2.3E3 683.4841 4.1E3 684.4880 1.2E3 685.4484 9.5E3 686.4515 2.7E4 687.4545 3.1E4 688.4577 7.3E3 698.4409 2.1E3 699.4402 2.4E3 779.4976 1.0E3 780.5010 1.3E3 795.5659 1.1E3 796.5684 1.5E3 797.5095 1.2E3 798.5110 2.7E3 812.5275 1.2E3 865.5888 1.3E3 892.5803 1.2E3 893.5842 3.7E3 894.5872 1.3E3 907.6009 1.2E3 910.5912 1.3E3 911.5956 7.0E3 912.5974 2.5E3 925.6113 2.3E3 926.6169 1.2E3 978.6714 1.2E3 979.6599 1.5E3 980.6621 1.0E3 996.6859 5.4E3 997.6863 2.6E3 1006.6696 9.9E3 1007.6729 4.5E3 1008.6613 1.0E3 1024.6796 4.1E4 1025.6824 2.2E4 1026.6846 1.5E3 END IONS BEGIN IONS FEATURE_ID=406 PEPMASS=1026.6148 SCANS=406 RTINSECONDS=1960.719 CHARGE=1+ MSLEVEL=2 86.0967 7.5E3 87.0444 1.5E3 89.0599 1.9E3 104.0528 1.4E3 115.0754 1.5E3 117.0911 4.0E3 175.1326 3.2E3 201.1231 2.0E3 217.1369 2.8E3 227.1747 2.0E3 229.1179 4.3E3 233.1747 1.8E3 245.1312 8.9E3 245.1858 5.2E3 324.2161 9.2E3 328.1858 5.6E3 330.1661 1.5E3 342.2015 4.3E3 342.2266 6.0E3 343.2949 1.9E3 344.1995 7.1E3 360.1582 3.1E3 360.2118 6.0E3 413.2216 2.9E3 413.2392 1.2E3 413.2745 1.7E3 425.2388 1.2E3 437.2448 1.1E3 437.2996 1.9E3 441.2157 6.0E3 441.2704 5.2E3 443.2489 4.6E3 444.2525 3.4E3 451.3148 1.3E3 455.2317 1.0E3 455.2566 1.1E4 455.3104 6.4E3 459.2263 3.6E4 459.2802 5.2E3 460.2289 2.7E3 461.2606 1.6E3 469.3267 1.4E3 470.3298 1.3E3 473.2421 4.3E3 473.2667 1.1E4 473.3221 1.8E3 475.2936 1.7E3 496.3112 1.1E3 526.3049 5.2E3 540.4001 2.8E3 543.2474 1.2E3 544.3150 5.0E3 550.3301 5.2E3 550.3843 1.4E3 554.3002 6.5E3 554.3539 2.9E3 554.3773 1.0E3 568.3404 1.4E4 568.3936 9.7E3 569.3438 1.1E3 569.3983 2.1E3 570.2575 1.4E3 570.3368 3.5E3 571.4048 1.7E3 572.3104 1.8E4 572.3635 3.4E3 573.3137 1.3E3 582.4095 1.2E3 583.4132 2.3E3 586.3262 2.5E3 586.3506 2.5E4 587.3538 1.6E3 590.3209 3.3E3 604.3361 4.1E3 637.4170 1.4E3 648.4391 1.1E3 649.3979 4.0E3 655.4261 1.3E3 657.4203 4.5E3 658.4205 2.8E3 665.4098 3.5E3 666.4517 1.6E3 667.4084 9.6E3 668.4116 1.1E3 670.4202 2.0E3 673.4108 2.1E3 674.4154 4.8E3 675.4170 1.3E3 683.3688 1.2E3 683.4219 9.7E3 684.4269 2.0E3 684.4617 1.7E3 685.3934 1.5E4 685.4198 2.1E4 686.3966 1.3E3 686.4227 2.7E3 687.4272 9.4E3 688.4310 1.8E4 689.4327 6.6E3 699.4355 4.1E3 700.4371 1.1E3 701.3785 1.5E3 701.4433 1.4E3 702.4455 3.7E3 703.4047 1.6E5 704.4075 1.9E4 716.4600 1.0E3 737.4683 4.5E3 764.4257 1.4E3 764.4757 1.3E3 768.4548 1.3E3 779.5338 1.4E3 782.4351 6.7E3 782.4887 3.2E3 796.4531 2.4E3 798.5038 1.0E4 799.4875 1.0E3 800.4459 6.1E3 801.4493 1.6E3 814.4614 4.5E3 867.5246 5.2E3 868.5111 1.8E3 877.5099 1.8E3 877.5590 2.1E3 894.5623 3.4E3 895.5193 1.1E4 895.5692 2.7E3 896.5200 1.7E3 899.5519 1.5E3 909.5353 2.3E3 912.5720 3.2E3 913.5304 2.0E4 913.5754 2.0E3 914.5332 3.6E3 927.5457 8.4E3 928.5500 1.1E3 950.6122 1.1E3 963.6187 1.1E3 980.6237 5.1E3 981.5914 1.7E3 981.6345 3.7E3 989.6376 1.1E3 990.5923 1.8E3 990.6368 1.0E3 997.6605 2.6E3 998.6191 1.4E4 998.6659 1.4E3 999.6214 3.5E3 1007.6459 1.1E4 1008.6029 2.2E4 1008.6496 7.3E3 1009.6069 4.7E3 1025.6556 2.2E4 1026.6133 9.4E4 1026.6591 1.0E4 1027.6171 2.1E4 END IONS BEGIN IONS FEATURE_ID=407 PEPMASS=1032.6957 SCANS=407 RTINSECONDS=2306.376 CHARGE=1+ MSLEVEL=2 86.0968 3.3E3 328.1870 1.2E3 366.2636 2.4E3 395.2651 1.9E3 423.2603 1.4E3 441.2703 1.7E3 461.3374 1.3E3 479.3473 2.7E3 497.3590 1.3E3 508.3493 1.3E3 554.3536 2.6E3 568.3702 1.3E3 574.4205 5.1E3 592.4316 3.1E3 621.4330 1.3E3 667.4379 1.9E4 668.4413 2.3E3 673.4906 3.7E3 679.4637 1.5E3 691.4998 3.1E3 707.4597 1.5E3 788.5173 1.6E3 804.5813 2.5E3 820.5419 1.2E3 901.6000 1.7E3 919.6105 2.3E3 933.6281 2.1E3 1004.6996 1.9E3 1014.6827 1.7E3 1032.6943 1.8E4 1033.6975 3.9E3 END IONS BEGIN IONS FEATURE_ID=408 PEPMASS=1034.6757 SCANS=408 RTINSECONDS=2094.52 CHARGE=1+ MSLEVEL=2 85.0761 2.5E3 86.0964 3.2E3 87.0441 1.4E3 89.0597 2.7E3 91.5081 1.3E3 115.0751 2.5E3 117.0907 7.9E3 133.0859 3.6E3 157.1220 1.4E3 175.1328 3.7E3 177.1118 1.4E3 199.1802 1.3E3 227.1752 4.0E3 229.1181 2.2E3 233.1747 2.9E3 245.1855 2.6E3 326.2432 2.9E3 328.1859 3.4E3 342.2018 2.9E3 350.2321 4.4E3 360.2128 3.1E3 368.2429 3.0E3 395.2650 2.8E3 423.2595 3.9E3 437.2391 1.0E3 441.2700 2.1E4 442.2736 1.5E3 455.2858 2.9E3 457.3372 1.0E3 459.2812 4.0E3 463.3159 7.4E3 481.3265 9.5E3 499.3380 1.1E3 508.3499 2.6E3 526.3592 2.6E3 536.3434 3.2E3 554.3538 1.1E4 558.3894 2.0E3 566.4154 1.1E3 568.3329 1.8E3 568.3685 1.4E3 569.3362 1.9E3 572.3644 4.6E3 576.3993 7.5E3 586.3801 2.3E3 594.4103 1.8E4 595.4144 1.6E3 596.3527 1.4E3 639.4438 1.0E3 657.4577 1.8E3 667.4384 8.2E3 668.4403 1.2E3 675.4684 5.0E3 681.4435 1.0E3 685.4485 8.7E4 686.4515 9.7E3 691.4270 1.5E3 693.4789 1.1E4 694.4827 1.7E3 707.4955 1.5E3 709.4369 5.6E3 763.4837 1.7E3 790.4947 4.1E3 804.5095 1.8E3 806.5635 5.2E3 808.5061 5.0E3 822.5217 2.4E3 823.5231 1.0E3 857.5736 1.0E3 875.5844 3.6E3 876.5648 2.4E3 885.5695 1.3E3 893.5950 1.2E3 903.5785 6.5E3 904.5831 1.8E3 917.5938 1.4E3 919.6470 1.4E3 921.5894 1.4E4 922.5931 2.3E3 935.6066 4.5E3 988.6682 1.8E3 989.6533 1.5E3 1006.6785 8.9E3 1007.6820 1.4E3 1016.6635 1.4E4 1017.6653 2.8E3 1033.6525 1.5E3 1034.6737 6.4E4 1035.6776 1.5E4 END IONS BEGIN IONS FEATURE_ID=409 PEPMASS=1034.6743 SCANS=409 RTINSECONDS=2106.378 CHARGE=1+ MSLEVEL=2 85.0761 2.5E3 86.0964 3.2E3 87.0441 1.4E3 89.0597 2.7E3 91.5081 1.3E3 115.0751 2.5E3 117.0907 7.9E3 133.0859 3.6E3 157.1220 1.4E3 175.1328 3.7E3 177.1118 1.4E3 199.1802 1.3E3 227.1752 4.0E3 229.1181 2.2E3 233.1747 2.9E3 245.1855 2.6E3 326.2432 2.9E3 328.1859 3.4E3 342.2018 2.9E3 350.2321 4.4E3 360.2128 3.1E3 368.2429 3.0E3 395.2650 2.8E3 423.2595 3.9E3 437.2391 1.0E3 441.2700 2.1E4 442.2736 1.5E3 455.2858 2.9E3 457.3372 1.0E3 459.2812 4.0E3 463.3159 7.4E3 481.3265 9.5E3 499.3380 1.1E3 508.3499 2.6E3 526.3592 2.6E3 536.3434 3.2E3 554.3538 1.1E4 558.3894 2.0E3 566.4154 1.1E3 568.3329 1.8E3 568.3685 1.4E3 569.3362 1.9E3 572.3644 4.6E3 576.3993 7.5E3 586.3801 2.3E3 594.4103 1.8E4 595.4144 1.6E3 596.3527 1.4E3 639.4438 1.0E3 657.4577 1.8E3 667.4384 8.2E3 668.4403 1.2E3 675.4684 5.0E3 681.4435 1.0E3 685.4485 8.7E4 686.4515 9.7E3 691.4270 1.5E3 693.4789 1.1E4 694.4827 1.7E3 707.4955 1.5E3 709.4369 5.6E3 763.4837 1.7E3 790.4947 4.1E3 804.5095 1.8E3 806.5635 5.2E3 808.5061 5.0E3 822.5217 2.4E3 823.5231 1.0E3 857.5736 1.0E3 875.5844 3.6E3 876.5648 2.4E3 885.5695 1.3E3 893.5950 1.2E3 903.5785 6.5E3 904.5831 1.8E3 917.5938 1.4E3 919.6470 1.4E3 921.5894 1.4E4 922.5931 2.3E3 935.6066 4.5E3 988.6682 1.8E3 989.6533 1.5E3 1006.6785 8.9E3 1007.6820 1.4E3 1016.6635 1.4E4 1017.6653 2.8E3 1033.6525 1.5E3 1034.6737 6.4E4 1035.6776 1.5E4 END IONS BEGIN IONS FEATURE_ID=410 PEPMASS=1035.6196 SCANS=410 RTINSECONDS=2035.887 CHARGE=2+ MSLEVEL=2 175.1327 2.6E3 199.1801 1.2E3 227.1751 3.7E3 233.1744 2.0E3 245.1856 2.3E3 324.2166 2.8E3 326.2427 2.1E3 328.1863 3.1E3 342.2023 2.1E3 342.2271 1.5E3 360.2123 2.7E3 395.2646 2.6E3 423.2595 3.0E3 437.3003 4.6E3 441.2703 1.9E4 442.2736 3.1E3 455.2876 2.3E3 455.3110 6.6E3 456.3148 1.0E3 459.2805 3.5E3 473.3217 1.6E3 483.3412 1.1E3 508.3490 2.4E3 526.3594 1.6E3 531.7930 1.3E3 532.3745 2.7E3 536.3438 4.2E3 540.4003 1.1E3 550.3849 6.8E3 551.3879 1.7E3 554.3543 1.1E4 568.3697 1.2E3 568.3950 1.6E4 569.3985 4.6E3 570.3389 1.4E3 572.3647 3.9E3 586.3802 2.0E3 596.4259 1.7E3 626.2833 1.0E3 639.4446 1.0E3 649.4530 7.0E3 650.4568 1.7E3 665.4108 2.2E3 667.4381 1.2E4 667.4642 1.3E4 668.4410 2.2E3 668.4673 3.8E3 681.4799 1.5E3 683.4234 5.3E3 684.4335 2.1E3 685.4490 1.2E5 686.4521 2.7E4 687.4554 2.9E3 695.4945 1.4E3 702.3884 1.3E3 720.3983 1.2E3 737.4703 1.4E3 739.3688 1.2E3 764.4804 4.3E3 765.4836 1.3E3 778.4966 2.0E3 780.5475 5.3E3 782.4915 5.6E3 783.4955 1.1E3 796.5063 2.2E3 797.5075 1.2E3 800.3893 1.2E3 808.5793 1.2E3 810.5221 1.1E3 818.3963 2.6E3 832.3905 1.3E3 836.4114 2.2E3 849.5687 3.9E3 877.5643 9.0E3 878.5673 2.4E3 891.5806 1.8E3 892.4099 2.0E3 895.5746 1.6E4 896.5776 6.1E3 905.5967 1.5E3 909.5904 4.2E3 910.5920 1.6E3 913.4734 1.9E3 921.4996 1.6E3 923.6072 1.8E3 931.4846 2.9E3 932.4878 1.2E3 949.4950 1.5E3 962.6528 1.9E3 963.6371 1.3E3 972.6407 2.2E3 973.6399 1.4E3 980.6647 7.9E3 981.6668 3.6E3 982.6705 1.1E3 990.6485 2.9E4 991.6529 9.6E3 992.6544 1.2E3 1000.5773 1.9E3 1002.5590 1.1E3 1008.6591 1.4E5 1009.6627 6.5E4 1010.6658 9.5E3 1017.6656 1.0E3 1018.5156 1.6E3 1018.6371 1.4E3 1018.6794 3.6E3 1019.5209 1.1E3 1026.5579 1.3E4 1027.5587 4.6E3 1028.5543 1.4E3 1034.6663 1.1E4 1035.6788 1.3E4 1036.6930 2.5E4 1042.5702 3.1E3 1043.5717 9.7E3 1044.5681 7.7E4 1045.5712 3.1E4 1046.5709 8.5E3 1060.5826 1.4E4 1061.5815 4.3E4 1062.5787 3.1E5 1063.5818 1.3E5 1064.5814 2.9E4 END IONS BEGIN IONS FEATURE_ID=411 PEPMASS=1035.6198 SCANS=411 RTINSECONDS=2062.374 CHARGE=2+ MSLEVEL=2 175.1325 5.3E3 177.1118 2.0E3 227.1748 3.2E3 229.1178 1.3E3 233.1744 3.7E3 245.1852 1.6E3 291.2158 2.1E3 324.2166 2.3E3 326.2428 2.1E3 328.1857 2.8E3 342.2018 1.7E3 342.2271 2.2E3 360.2125 2.2E3 395.2650 1.4E3 423.2592 2.6E3 437.3005 4.2E3 438.3037 1.2E3 441.2702 1.6E4 442.2734 2.9E3 455.2867 3.0E3 455.3109 6.0E3 456.3139 1.2E3 459.2810 2.9E3 508.3494 2.3E3 526.3599 1.9E3 532.3745 1.5E3 536.3438 3.0E3 550.3843 5.9E3 551.3878 1.7E3 554.3539 8.0E3 555.3588 1.9E3 568.3946 1.4E4 569.3987 3.9E3 570.3392 1.4E3 572.3647 3.9E3 586.3809 1.8E3 596.4261 1.2E3 631.4419 1.4E3 649.4265 1.0E3 649.4530 4.8E3 650.4565 2.1E3 665.4110 1.7E3 667.4377 8.3E3 667.4639 7.8E3 668.4413 2.4E3 668.4669 3.9E3 681.4794 1.4E3 683.4222 4.3E3 684.4255 1.5E3 685.4489 8.9E4 686.4521 2.6E4 687.4544 4.0E3 695.4952 1.8E3 699.4288 1.5E3 699.4646 4.4E3 700.4680 4.7E3 701.4684 1.1E3 702.3887 1.4E3 711.4534 1.0E3 737.4688 1.4E3 739.3676 1.2E3 746.4698 1.2E3 764.4799 2.8E3 765.4837 1.4E3 778.4958 1.5E3 780.5485 3.7E3 781.5508 1.1E3 782.4884 3.5E3 783.4935 1.8E3 796.5052 1.7E3 808.5771 1.1E3 810.5209 1.2E3 818.3997 2.4E3 836.4104 1.5E3 849.5704 2.3E3 850.5688 1.4E3 877.5645 6.5E3 877.6024 1.0E3 878.5660 3.0E3 891.5781 1.6E3 892.4103 1.2E3 895.5745 1.1E4 896.5776 5.6E3 897.5797 1.4E3 903.4893 1.1E3 905.5950 1.6E3 909.5912 4.0E3 910.5930 1.4E3 913.4717 1.9E3 914.4756 1.4E3 922.5930 1.4E3 923.6048 1.9E3 931.4828 1.2E3 932.4868 1.2E3 962.6547 1.3E3 963.6366 1.4E3 972.6378 1.1E3 980.6644 5.8E3 981.6678 2.3E3 990.6481 2.1E4 991.6517 1.2E4 992.6553 1.6E3 1000.5767 1.5E3 1008.6587 1.0E5 1009.6620 5.7E4 1010.6644 1.4E4 1011.6694 1.7E3 1017.6670 1.7E3 1018.5171 1.3E3 1018.6827 3.4E3 1019.5192 1.3E3 1025.5621 1.0E3 1026.5559 1.0E4 1027.5597 6.1E3 1028.5566 2.1E3 1034.6733 1.0E3 1035.6780 9.2E3 1036.6917 2.6E4 1042.5704 1.2E3 1043.5715 4.4E3 1044.5677 5.9E4 1045.5709 3.2E4 1046.5712 1.2E4 1047.5741 1.5E3 1060.5839 3.7E3 1061.5815 2.3E4 1062.5784 2.1E5 1063.5813 1.3E5 1064.5823 3.9E4 1065.5823 5.3E3 END IONS BEGIN IONS FEATURE_ID=412 PEPMASS=1036.1235 SCANS=412 RTINSECONDS=2030.018 CHARGE=1 MSLEVEL=2 72.0808 1.4E3 81.7565 1.1E3 86.0965 1.6E4 87.0442 1.0E3 102.0549 1.1E3 115.0751 1.1E3 117.0908 3.0E3 129.6085 1.0E3 140.6503 1.1E3 150.1607 1.1E3 175.1324 3.5E3 177.1113 2.2E3 183.1123 1.3E3 199.1806 4.5E3 201.1230 1.8E3 213.1590 1.6E3 227.1752 1.7E4 229.1182 9.4E3 243.1336 1.5E3 245.1857 1.3E4 283.2013 1.1E3 296.1969 1.1E3 311.1966 1.7E3 324.2161 4.3E3 326.2433 1.0E4 327.2465 1.1E3 328.1859 1.5E4 340.2574 1.5E3 342.2018 1.0E4 342.2271 2.9E3 344.2532 1.9E3 352.2473 1.5E4 360.2117 9.8E3 370.2580 5.8E3 371.3257 4.8E3 375.8646 1.2E3 392.2533 1.4E3 395.2646 7.6E3 396.2495 1.7E3 403.8552 1.0E3 413.2754 4.4E3 419.3277 1.3E3 423.2589 1.1E4 427.2909 1.5E3 437.2746 3.4E3 437.2998 4.2E3 439.3264 1.1E3 441.2697 7.6E4 442.2731 4.1E3 447.3204 2.6E3 455.2858 1.5E4 455.3097 7.4E3 455.3466 2.1E3 456.3144 2.2E3 457.3375 4.1E3 459.2795 1.1E4 465.3318 1.9E4 469.2645 1.0E3 469.3271 1.4E3 471.3522 1.7E3 473.2957 2.9E3 473.3206 1.5E3 483.3421 3.0E4 501.3520 1.7E3 507.2808 3.6E3 508.3481 9.9E3 509.3326 3.0E3 511.6924 1.1E3 525.2914 6.6E3 526.3584 1.3E4 532.3738 1.8E3 536.3427 1.0E4 540.4005 1.7E3 550.3835 5.7E3 552.3021 2.3E3 552.3641 2.0E3 554.3536 5.5E4 555.3562 1.6E3 560.4045 8.6E3 568.3690 5.4E3 568.3945 1.1E4 568.4313 5.0E3 569.3979 4.6E3 570.3347 1.5E3 570.4003 1.2E3 570.4216 3.7E3 572.3649 1.5E4 578.4150 2.5E4 580.3592 2.3E3 582.4102 1.5E3 586.3788 7.7E3 596.4255 5.1E4 598.3693 6.4E3 610.3777 1.2E3 614.8495 1.0E3 638.3750 4.6E3 639.4432 3.8E3 640.4252 1.4E3 649.4258 2.2E3 649.4512 2.6E3 659.4720 6.1E3 665.3859 2.1E3 665.4125 1.2E3 665.4482 2.2E3 667.4373 3.0E4 667.4637 4.5E3 668.4405 2.9E3 668.4661 4.3E3 677.4839 1.6E4 679.4275 3.2E3 681.5133 3.3E3 683.4218 2.8E3 683.4581 3.0E3 685.4481 3.8E5 686.4520 1.5E4 687.4525 3.2E3 691.4965 1.3E3 693.4422 5.9E3 695.4938 3.2E4 697.4376 2.7E3 698.5026 1.4E3 701.4869 1.3E3 702.3866 1.1E3 709.5089 1.2E4 711.4526 2.4E4 726.1876 1.2E3 733.3160 1.2E3 733.4478 1.4E3 734.6935 1.1E3 737.5018 1.3E3 739.5972 1.1E3 740.3710 1.1E3 760.5219 1.1E3 764.4786 4.1E3 764.5152 2.8E3 765.4984 4.8E3 774.4989 3.2E3 778.4985 1.6E3 778.5282 5.0E3 779.5163 1.7E3 780.5465 2.6E3 780.5824 1.8E3 781.5504 1.2E3 782.4894 2.5E3 782.5226 1.4E3 790.5680 6.4E3 792.5101 1.5E4 794.5631 1.7E3 796.5046 2.3E3 806.5250 9.3E3 808.5776 3.3E4 810.5207 1.7E4 818.3955 1.4E3 822.5936 4.9E3 824.5372 1.5E4 832.5764 1.2E3 836.4077 1.4E3 849.5642 1.8E3 857.2897 1.2E3 859.5891 5.2E3 860.5756 1.8E3 876.6405 2.1E3 877.5613 3.6E3 877.6002 1.9E4 878.5853 5.6E3 887.5842 7.4E3 891.6163 1.2E3 895.5734 7.2E3 896.5745 3.9E3 897.5806 1.2E3 905.5945 3.7E4 909.5859 1.8E3 909.6259 2.4E3 913.4738 1.1E3 914.4725 1.3E3 919.6104 6.2E3 921.6605 7.2E3 923.6044 5.5E4 931.4787 1.8E3 933.5878 2.0E3 937.6200 2.5E4 943.1755 1.1E3 949.4913 1.2E3 949.6514 1.7E3 972.6356 1.6E3 980.6633 4.0E3 981.6689 2.1E3 990.6406 1.1E4 990.6865 4.3E3 991.6601 1.1E4 1000.5762 1.7E3 1000.6677 5.0E3 1008.6555 2.6E4 1008.6951 4.0E4 1009.6613 2.3E4 1010.6647 6.0E3 1018.6783 6.8E4 1026.5562 7.2E3 1027.5580 5.1E3 1028.5596 1.4E3 1036.6888 3.5E5 1043.5693 3.1E3 1044.5671 3.0E4 1045.5691 1.9E4 1046.5698 1.0E4 1060.5823 2.0E3 1061.5801 1.2E4 1062.5771 8.8E4 1063.5801 5.2E4 1064.5791 2.6E4 1065.5813 3.7E3 END IONS BEGIN IONS FEATURE_ID=413 PEPMASS=1036.6537 SCANS=413 RTINSECONDS=1671.934 CHARGE=1 MSLEVEL=2 227.1753 1.6E3 326.2437 1.3E3 328.1873 1.1E3 352.2110 3.4E3 360.2129 1.5E3 370.2228 1.4E3 441.2701 7.6E3 447.2844 1.5E3 459.2807 1.6E3 465.2959 3.3E3 483.3058 6.3E3 501.3189 1.0E3 508.3477 1.3E3 536.3432 1.9E3 554.3543 4.5E3 560.3688 1.2E3 572.3651 1.5E3 578.3784 3.5E3 586.3798 1.3E3 596.3899 8.6E3 598.3332 1.1E3 659.4390 1.4E3 667.4379 4.2E3 677.4485 2.5E3 685.4484 5.1E4 686.4515 7.7E3 693.4070 1.0E3 695.4581 6.3E3 711.4161 2.8E3 792.4734 2.7E3 808.5409 2.4E3 810.4846 2.1E3 824.5006 1.4E3 877.5625 1.1E3 905.5597 3.6E3 906.5598 1.2E3 923.5684 6.2E3 937.5857 2.4E3 991.6323 1.3E3 1008.6567 4.5E3 1018.6416 8.5E3 1019.6478 2.4E3 1036.5654 1.7E3 1036.6525 4.2E4 1037.6558 7.5E3 END IONS BEGIN IONS FEATURE_ID=414 PEPMASS=1036.6533 SCANS=414 RTINSECONDS=1964.569 CHARGE=1+ MSLEVEL=2 72.0813 1.4E3 86.0968 6.6E4 87.0440 1.5E3 89.0598 1.4E3 102.0552 1.1E3 112.3542 1.1E3 115.0752 1.0E3 117.0907 3.8E3 132.1014 3.5E3 157.1253 1.2E3 175.1324 2.4E3 185.1646 1.1E3 199.1800 8.4E3 201.1234 9.1E3 208.4982 1.4E3 213.1595 5.1E3 215.1021 1.1E3 218.7543 1.1E3 223.1688 2.3E3 227.1750 3.0E4 229.1179 2.2E4 231.1703 2.8E3 233.1743 2.0E3 241.1543 1.3E3 243.1331 2.3E3 245.1856 4.3E4 246.1885 1.2E3 281.2217 3.4E3 283.1649 3.1E3 295.2378 1.1E3 296.1965 2.3E3 297.1797 1.2E3 300.1919 1.3E3 311.1604 1.1E3 311.1955 1.4E3 322.5518 1.1E3 325.1749 1.2E3 326.2429 1.8E4 327.2454 1.0E3 328.1860 4.2E4 329.1899 2.0E3 334.2002 1.3E4 338.2070 1.0E3 340.2593 2.3E3 342.2017 2.3E4 344.2537 1.9E3 352.2109 1.8E4 356.2179 2.1E3 358.2693 3.2E3 360.2119 3.8E4 361.2153 1.5E3 370.2217 1.4E4 371.2899 3.0E3 392.2536 1.5E3 395.2645 1.2E4 396.2493 3.9E3 406.2323 1.5E3 409.2805 2.6E3 410.2637 1.4E3 413.2755 6.4E3 414.2592 7.2E3 419.2899 1.8E3 423.2591 1.7E4 424.2434 2.3E3 426.2229 1.3E3 427.2900 1.2E3 428.2744 1.6E3 434.5733 1.3E3 437.2383 1.2E3 437.2752 4.0E3 437.3004 1.5E4 441.2700 1.5E5 442.2736 9.4E3 444.2331 1.5E3 447.2853 8.6E3 451.2547 2.1E3 451.2806 1.0E3 453.0034 1.1E3 455.2855 1.9E4 455.3098 1.3E3 457.3374 4.0E3 459.2805 5.3E4 460.2831 3.6E3 465.2951 1.7E5 466.2984 1.3E4 467.2390 5.1E3 469.2655 2.0E3 470.9189 1.1E3 471.3527 2.9E3 473.2953 5.3E3 476.0152 1.1E3 483.3055 4.9E4 483.3419 2.7E3 484.3090 4.9E3 485.2484 1.4E3 501.3165 3.1E3 505.3011 1.3E3 507.2802 3.0E3 508.3481 1.8E4 509.3336 5.8E3 525.2908 2.8E3 526.3586 1.3E4 527.3425 3.8E3 527.3625 2.1E3 531.9797 1.0E3 532.3733 1.9E3 534.3153 1.2E3 536.3431 1.9E4 543.6721 1.1E3 550.3837 3.2E4 551.3876 2.9E3 552.3022 3.3E3 552.3270 5.0E3 552.4113 1.6E3 554.3537 6.6E4 555.3571 5.2E3 560.3683 1.4E4 562.3115 1.3E3 564.3640 5.5E3 565.3675 1.2E3 568.3699 8.6E3 568.3950 2.7E3 569.3969 1.1E3 570.3127 1.4E3 570.4220 3.6E3 572.3644 4.7E4 573.3677 5.2E3 578.3788 2.9E5 579.3824 3.2E4 580.3218 1.2E4 582.3483 1.5E3 582.3737 2.6E3 586.3795 1.3E4 587.3818 1.2E3 596.3893 8.6E4 597.3918 9.1E3 598.3325 3.4E3 599.4003 1.1E3 613.4160 1.9E3 621.4321 2.0E3 622.4149 2.1E3 637.3934 1.0E3 638.3757 1.4E3 639.4419 4.6E3 640.4254 2.7E3 647.4007 1.9E3 649.4263 3.0E3 649.4523 1.3E3 659.4359 1.3E4 665.3855 2.1E3 665.4119 2.1E3 665.9983 1.0E3 667.4376 5.4E4 668.4412 6.6E3 675.3959 2.1E3 677.4472 1.7E5 678.4504 2.3E4 679.3901 4.1E3 681.4786 4.0E3 685.4481 6.3E5 686.4512 7.5E4 691.4623 5.3E3 693.4051 1.4E4 695.4576 6.1E4 696.4603 6.9E3 697.3995 2.1E3 709.4731 7.5E3 711.4153 1.5E4 712.4197 1.3E3 719.4578 1.8E3 726.5015 1.8E3 760.4835 1.7E3 764.4801 2.2E3 765.4630 6.9E3 769.4676 1.4E3 774.4612 4.3E3 777.5363 1.9E3 778.4952 4.7E3 780.5460 2.3E3 788.4782 1.7E3 790.5309 3.6E3 792.4739 4.0E4 793.4788 5.7E3 794.5610 2.1E3 796.5060 2.1E3 804.5466 1.3E3 806.4901 8.9E3 807.4920 1.2E3 808.5410 1.4E4 809.5449 2.4E3 810.4852 1.9E4 811.4887 2.7E3 820.4681 1.2E3 822.5566 1.9E3 824.4997 1.2E4 826.3915 1.1E3 849.5635 1.1E3 859.5516 2.1E3 860.5347 2.2E3 876.6036 3.5E3 877.5640 1.4E4 878.5428 9.7E3 879.5514 2.1E3 887.5466 4.0E3 895.5734 2.8E3 901.5588 1.5E3 903.6144 1.3E3 905.5580 4.2E4 906.5597 6.6E3 909.5898 3.0E3 919.5745 7.1E3 920.5742 1.2E3 921.6245 4.4E3 923.5685 4.8E4 924.5713 6.3E3 933.5536 1.2E3 937.5842 2.3E4 938.5872 4.5E3 973.6224 2.0E3 990.6472 8.3E3 991.6306 1.0E4 992.6349 2.0E3 993.4298 1.1E3 1000.6315 5.3E3 1008.6573 4.7E4 1009.6612 1.0E4 1018.6422 7.1E4 1019.6447 1.4E4 1036.6523 2.9E5 1037.6554 6.1E4 1037.7350 1.4E3 END IONS BEGIN IONS FEATURE_ID=415 PEPMASS=1036.6903 SCANS=415 RTINSECONDS=2024.121 CHARGE=1 MSLEVEL=2 73.9558 1.2E3 75.9232 1.1E3 77.7520 1.1E3 80.2469 1.1E3 80.5553 1.1E3 80.5894 1.1E3 84.0445 1.8E3 84.5027 1.1E3 86.0965 1.9E4 87.9077 1.2E3 89.0599 1.6E3 98.0173 1.2E3 99.2198 1.1E3 101.7643 1.2E3 102.0549 1.6E3 102.2323 1.2E3 108.0726 1.1E3 108.9921 1.3E3 110.6942 1.3E3 117.0907 2.4E3 117.3326 1.4E3 117.4249 1.4E3 130.0494 1.8E3 132.1013 1.7E3 135.9457 1.4E3 137.0937 1.2E3 145.6063 1.2E3 148.1336 1.5E3 157.0595 1.1E3 160.9841 1.2E3 161.9414 1.4E3 169.9709 1.1E3 175.1327 1.6E3 177.1112 1.4E3 183.1118 1.5E3 191.6549 1.2E3 199.1798 5.0E3 199.8049 1.8E3 201.1229 3.5E3 202.0447 1.2E3 213.1598 1.6E3 227.1753 2.3E4 229.1181 1.3E4 230.2238 1.2E3 231.1697 1.3E3 234.1156 1.5E3 243.1324 1.7E3 245.1857 1.9E4 277.7496 1.1E3 281.2224 1.4E3 283.2005 2.3E3 293.1855 1.3E3 296.2216 1.2E3 306.6169 1.1E3 311.1958 2.2E3 313.1380 1.7E3 324.1908 1.7E3 324.2166 2.0E3 326.2430 1.4E4 328.1859 2.0E4 334.2381 1.7E3 340.2589 1.9E3 342.2017 1.2E4 342.2253 1.3E3 343.2038 1.5E3 343.9430 1.2E3 344.2539 2.4E3 352.2474 2.2E4 353.2514 1.4E3 358.2691 1.4E3 360.2120 1.9E4 360.3458 1.3E3 366.6866 1.5E3 368.1906 1.5E3 370.2587 7.7E3 371.3255 6.1E3 392.2536 2.9E3 394.3041 1.7E3 395.2650 1.1E4 395.6556 1.3E3 396.2486 3.6E3 409.2791 1.3E3 413.2752 3.5E3 414.2599 1.6E3 419.3279 1.3E3 423.2592 1.5E4 426.2225 1.7E3 427.2909 2.8E3 437.2744 3.6E3 437.3000 4.2E3 439.3273 2.0E3 441.2699 9.9E4 442.2737 8.8E3 447.3210 3.6E3 455.2858 2.2E4 455.3094 6.4E3 455.3475 4.8E3 456.2895 2.0E3 457.3377 5.8E3 459.2802 1.5E4 460.2837 1.9E3 465.3316 2.8E4 466.3364 1.6E3 469.2643 1.4E3 471.3538 1.9E3 473.2961 2.5E3 483.3418 4.3E4 484.3454 3.5E3 485.2850 2.4E3 486.9665 1.4E3 501.3527 1.6E3 507.2807 3.4E3 508.3478 8.5E3 509.3318 3.7E3 509.3521 2.1E3 522.3637 1.3E3 525.2904 4.6E3 526.3585 1.9E4 532.3709 1.6E3 532.4130 1.4E3 536.3433 1.1E4 538.5433 1.6E3 544.3174 1.4E3 550.3835 4.5E3 551.3862 1.3E3 552.3026 3.5E3 552.3289 1.3E3 552.3630 3.7E3 554.3535 7.5E4 555.3571 7.1E3 560.4048 1.2E4 564.3983 1.8E3 568.3693 8.2E3 568.3948 9.6E3 568.4301 8.3E3 569.3992 4.1E3 570.4207 5.0E3 572.3642 2.4E4 573.3654 2.2E3 578.4154 3.0E4 579.4193 3.3E3 580.3589 4.6E3 582.4103 3.3E3 586.3801 1.1E4 587.3831 2.2E3 596.4254 6.8E4 597.4296 8.0E3 598.3695 9.5E3 599.4362 1.8E3 607.1262 1.3E3 610.3793 1.8E3 620.8582 1.2E3 621.3269 1.6E3 621.4318 1.6E3 632.4427 1.7E3 638.3751 4.6E3 639.4427 3.4E3 640.4250 1.7E3 648.1140 1.5E3 649.4266 3.3E3 650.4543 2.0E3 651.4326 1.8E3 659.4729 6.9E3 665.3854 2.1E3 665.4122 1.4E3 665.4460 5.9E3 667.4379 3.3E4 667.4629 3.7E3 668.4409 9.2E3 668.4667 2.0E3 677.4832 1.9E4 678.4874 3.5E3 679.4264 4.8E3 681.4780 1.5E3 681.5134 2.9E3 683.4215 2.7E3 683.4578 4.3E3 685.4483 4.5E5 686.4514 6.6E4 687.4542 3.6E3 691.4996 3.4E3 693.4417 1.1E4 695.4937 4.5E4 696.4969 5.1E3 697.4393 1.8E3 699.4227 1.5E3 709.5094 1.6E4 710.5118 1.5E3 711.4527 2.9E4 712.4562 5.9E3 719.4938 2.0E3 726.5365 1.7E3 737.4684 1.8E3 737.5020 1.2E3 738.4851 1.4E3 764.4832 1.7E3 764.5171 3.4E3 765.5014 2.1E3 774.4991 6.1E3 778.5319 5.2E3 780.5823 4.2E3 781.5491 2.6E3 782.4901 1.9E3 790.5665 1.1E4 792.5103 1.6E4 793.5118 2.8E3 796.5050 2.3E3 806.5253 1.3E4 807.5303 2.0E3 808.5781 4.4E4 809.5820 5.3E3 810.5208 1.9E4 818.3935 1.7E3 822.5922 6.0E3 824.5367 2.0E4 859.5883 6.0E3 876.6412 3.4E3 877.5624 2.0E3 877.6001 2.2E4 878.5828 5.2E3 878.5961 4.5E3 879.5756 1.4E3 887.5831 8.3E3 895.5740 6.0E3 895.6130 2.3E3 905.5946 4.1E4 906.5980 7.8E3 909.5878 2.3E3 909.6269 3.1E3 919.6115 8.2E3 921.6600 6.4E3 923.6046 6.4E4 924.6063 1.3E4 928.3640 1.5E3 931.4828 2.5E3 937.6202 2.4E4 938.6226 6.8E3 979.6170 1.6E3 980.6641 4.7E3 981.6674 2.9E3 990.6463 5.0E3 990.6918 5.9E3 991.6530 9.3E3 992.6624 1.9E3 1000.6677 5.4E3 1001.6697 1.5E3 1008.6545 1.6E4 1008.6949 4.3E4 1009.6551 1.9E4 1009.6998 6.1E3 1010.6642 5.5E3 1018.6789 7.7E4 1019.6820 1.5E4 1026.5569 4.0E3 1027.5570 2.6E3 1028.5588 3.3E3 1036.6890 3.6E5 1037.6923 8.1E4 1044.5667 1.9E4 1045.5687 1.9E4 1046.5685 1.6E4 1047.5720 5.3E3 1061.5792 3.4E3 1062.5776 5.9E4 1063.5803 5.1E4 1064.5800 3.5E4 1065.5813 9.9E3 1066.5809 2.1E3 END IONS BEGIN IONS FEATURE_ID=416 PEPMASS=1036.6927 SCANS=416 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 86.0967 3.7E3 87.0444 2.5E3 89.0601 3.7E3 99.0807 1.8E3 115.0755 3.3E3 117.0911 1.0E4 133.0860 3.1E3 157.1222 1.3E3 173.1171 1.0E3 175.1327 5.4E3 177.1122 2.3E3 199.1805 1.5E3 227.1751 6.6E3 229.1182 2.3E3 233.1745 4.2E3 245.1857 1.8E3 291.2157 1.7E3 326.2430 4.6E3 328.1855 4.0E3 342.2020 1.3E3 352.2478 1.1E4 360.2122 2.7E3 395.2642 1.3E3 423.2594 1.4E3 441.2332 1.2E3 441.2700 3.0E4 442.2730 3.4E3 455.2849 2.0E3 459.2805 5.6E3 465.2961 1.1E3 465.3315 2.5E4 466.3349 2.0E3 508.3482 1.2E3 526.3581 2.3E3 536.3422 1.6E3 554.3536 8.6E3 560.4050 2.8E3 572.3646 5.4E3 578.4155 3.1E4 579.4185 2.9E3 595.4141 1.2E3 596.3904 1.0E3 659.4730 1.0E3 667.4379 4.6E3 671.4351 1.0E3 676.4710 1.1E3 677.4837 1.0E4 678.4864 1.4E3 685.4135 5.5E3 685.4481 6.3E4 686.4509 1.5E4 687.4537 2.4E3 922.5918 1.2E3 1007.6793 1.0E3 1017.6647 1.2E3 1018.6397 1.8E3 1035.6766 5.2E3 1036.6492 3.1E3 1036.6825 3.5E3 END IONS BEGIN IONS FEATURE_ID=417 PEPMASS=1036.6918 SCANS=417 RTINSECONDS=2193.95 CHARGE=1+ MSLEVEL=2 72.0033 3.6E3 72.0811 3.9E3 75.7764 3.4E3 77.0977 3.5E3 77.9255 4.5E3 81.6482 4.2E3 86.0965 9.6E4 86.6137 4.9E3 86.7669 3.8E3 99.5478 4.5E3 104.4086 4.9E3 108.5609 3.4E3 110.3052 3.7E3 130.0495 3.8E3 132.1018 4.5E3 139.9698 3.7E3 174.9524 3.6E3 179.1586 4.0E3 181.7658 4.2E3 183.1121 4.1E3 193.4758 4.1E3 199.1805 3.1E4 201.1230 1.5E4 208.5017 7.5E3 213.1596 6.5E3 227.1752 9.8E4 229.1180 3.9E4 231.1701 7.4E3 240.2321 4.5E3 243.1334 8.1E3 245.1856 5.6E4 246.1872 4.0E3 249.9206 3.9E3 252.3907 5.0E3 256.9558 4.3E3 261.4724 3.8E3 269.2829 4.4E3 281.2220 9.5E3 283.1645 5.6E3 296.1964 8.2E3 297.1807 4.7E3 298.2489 5.5E3 300.1919 5.1E3 303.6549 4.2E3 308.7052 3.9E3 311.1960 6.0E3 314.2064 5.7E3 325.1750 4.0E3 326.2433 6.5E4 328.1860 8.4E4 329.1440 3.9E3 336.2894 4.1E3 336.6188 3.7E3 339.8655 3.7E3 340.2585 7.1E3 342.2016 6.4E4 344.2545 9.0E3 352.2474 8.2E4 356.2159 4.4E3 360.2122 6.6E4 365.9601 4.1E3 370.2580 7.9E4 371.3259 1.2E4 392.2549 5.8E3 395.2650 5.1E4 396.2491 1.9E4 408.2120 6.2E3 409.2808 8.7E3 410.2632 7.0E3 413.0533 4.0E3 413.2746 2.7E4 414.2604 1.1E4 419.3260 7.9E3 423.2597 6.0E4 427.2909 5.5E3 433.8990 4.1E3 437.2744 1.5E4 437.3361 8.5E3 439.3259 5.1E3 441.2701 4.8E5 442.2733 3.2E4 447.3205 1.8E4 451.2559 5.8E3 455.2856 4.8E4 455.3469 1.3E4 457.3373 1.4E4 459.2803 7.9E4 465.3315 1.2E5 466.3343 1.2E4 469.2646 5.0E3 471.3539 9.1E3 472.6123 4.9E3 473.2963 7.3E3 483.3421 2.4E5 484.3459 2.6E4 484.4104 9.3E3 485.2846 1.9E4 501.3530 2.5E4 507.2818 6.3E3 508.3486 5.7E4 509.3334 2.1E4 509.3508 5.6E3 522.3633 6.5E3 525.2919 1.3E4 526.3589 5.3E4 527.3429 9.5E3 527.3613 4.2E3 532.4105 4.8E3 536.1384 4.0E3 536.3430 8.0E4 537.3459 7.2E3 546.3892 6.8E3 550.4211 1.1E4 551.4068 5.9E3 552.3011 1.7E4 552.3638 5.8E3 554.3535 2.1E5 555.3589 2.1E4 560.4051 5.7E4 561.4080 5.6E3 564.4012 4.9E3 568.3698 3.3E4 568.4297 3.5E4 569.3740 5.2E3 570.4179 6.9E3 572.3641 9.6E4 573.3686 1.1E4 578.4151 1.7E5 579.4182 1.5E4 580.3583 1.3E4 586.3800 3.5E4 596.4259 4.7E5 597.4296 5.8E4 598.3682 4.1E4 599.3724 7.8E3 599.4383 8.8E3 613.4530 5.7E3 617.6091 4.3E3 621.4323 1.6E4 638.3748 7.3E3 639.4426 3.8E4 640.4243 6.9E3 647.4339 5.2E3 649.4269 2.2E4 659.4728 4.4E4 662.3927 4.9E3 665.3864 6.8E3 665.4477 3.2E4 667.4377 2.2E5 667.4990 7.0E3 668.4401 2.8E4 677.4838 1.2E5 678.4879 1.6E4 679.4269 6.3E3 681.5157 1.3E4 683.4584 2.0E4 685.4482 2.0E6 686.4512 2.5E5 691.4993 8.8E3 693.4420 5.1E4 695.4944 3.2E5 696.4974 4.4E4 697.4368 1.4E4 709.5094 3.9E4 710.5115 8.4E3 711.4525 1.2E5 712.4555 1.3E4 719.4940 5.8E3 726.5357 7.3E3 746.5054 7.5E3 760.5209 6.4E3 764.5150 1.7E4 765.4991 4.1E4 766.5007 6.7E3 774.5001 2.0E4 778.5308 1.3E4 779.5192 5.8E3 780.5836 1.4E4 788.5179 7.7E3 790.5662 2.9E4 791.5714 8.9E3 792.5099 8.9E4 793.5137 1.7E4 794.5989 7.0E3 804.5818 8.4E3 806.5254 3.9E4 808.5779 1.0E5 809.5803 1.5E4 810.5208 1.2E5 811.5243 1.7E4 822.5941 6.7E3 824.5355 5.2E4 825.5381 7.8E3 859.5880 1.4E4 860.5723 4.6E3 876.6436 5.3E3 877.6005 7.5E4 878.5850 3.9E4 887.5836 2.2E4 895.6122 1.1E4 905.5948 1.2E5 906.5973 2.6E4 909.6265 1.2E4 919.6097 3.7E4 920.6127 6.7E3 921.6633 2.0E4 923.6049 2.9E5 924.6082 7.2E4 937.6207 9.6E4 938.6229 1.9E4 972.6729 5.9E3 973.6512 6.4E3 990.6815 3.9E4 991.6683 4.1E4 1000.6649 2.0E4 1001.6721 5.3E3 1008.6944 1.8E5 1009.6966 4.0E4 1018.6785 3.1E5 1019.6813 7.3E4 1036.6891 1.4E6 1037.6925 3.2E5 END IONS BEGIN IONS FEATURE_ID=418 PEPMASS=1038.6700 SCANS=418 RTINSECONDS=1612.398 CHARGE=1+ MSLEVEL=2 86.0965 4.4E3 199.1800 1.3E3 227.1753 5.9E3 229.1180 2.9E3 245.1855 3.2E3 326.2430 4.3E3 328.1860 4.8E3 336.2160 5.2E3 342.2016 2.4E3 354.2268 3.3E3 360.2120 4.8E3 395.2653 2.8E3 413.2748 1.1E3 423.2598 3.8E3 437.2759 1.1E3 441.2702 3.3E4 442.2727 1.8E3 449.3004 7.6E3 455.2855 3.1E3 459.2807 6.3E3 467.3110 1.2E4 485.3216 4.1E3 507.2815 1.1E3 508.3492 5.3E3 526.3588 4.8E3 534.3904 1.4E3 536.3439 7.7E3 544.3741 4.3E3 552.3033 1.2E3 552.3998 2.2E3 554.3542 1.9E4 555.3578 2.1E3 562.3843 1.4E4 564.3260 1.1E3 568.3680 1.2E3 570.4220 1.0E3 572.3646 8.4E3 580.3948 3.4E4 581.3987 3.7E3 582.3365 2.6E3 586.3801 3.0E3 598.4056 1.0E3 621.4329 1.3E3 639.4442 2.4E3 643.4417 4.0E3 649.4279 2.6E3 661.4525 1.3E4 662.4557 1.6E3 663.3952 1.0E3 667.4382 2.1E4 668.4416 2.4E3 675.4670 1.2E3 677.4108 3.8E3 679.4630 2.9E4 680.4665 3.5E3 681.4050 1.1E3 685.4485 2.4E5 686.4516 2.9E4 693.4777 4.0E3 695.4215 1.2E4 696.4235 1.4E3 699.4648 1.6E3 748.4833 1.2E3 749.4677 3.0E3 758.4705 2.6E3 774.5375 1.7E3 776.4792 1.1E4 777.4831 1.2E3 790.4953 3.1E3 792.5469 8.8E3 793.5502 1.2E3 794.4899 1.1E4 795.4926 1.3E3 806.5638 1.3E3 808.5050 5.0E3 809.5079 1.1E3 843.5594 2.2E3 861.5682 1.0E4 862.5489 2.8E3 871.5519 3.5E3 879.5793 1.6E3 889.5634 1.8E4 890.5668 3.7E3 903.5774 1.7E3 905.6301 1.1E3 907.5737 3.6E4 908.5776 6.4E3 921.5891 8.6E3 922.5914 2.2E3 974.6528 3.1E3 975.6378 3.8E3 984.6395 2.3E3 992.6631 2.0E4 993.6666 4.1E3 1002.6475 5.0E4 1003.6501 1.0E4 1010.6744 1.6E3 1020.6583 2.8E5 1021.6613 6.1E4 1038.5410 6.2E3 1038.6693 1.6E4 1039.5437 1.3E3 1039.6730 3.5E3 END IONS BEGIN IONS FEATURE_ID=419 PEPMASS=1038.6674 SCANS=419 RTINSECONDS=2050.131 CHARGE=1+ MSLEVEL=2 86.0967 9.9E3 89.0601 1.7E3 115.0755 1.2E3 117.0911 5.3E3 175.1329 2.2E3 199.1806 2.2E3 201.1234 1.4E3 226.2162 1.1E3 227.1750 6.3E3 229.1181 4.4E3 245.1858 4.7E3 328.1861 1.7E3 328.2227 2.0E3 330.1653 4.1E3 338.2316 1.4E3 342.2014 5.7E3 352.2479 4.1E3 355.1856 1.2E4 357.3103 1.2E4 360.2126 3.4E3 369.2010 2.9E3 370.2591 2.9E3 397.2440 1.9E3 425.2385 5.4E3 439.2545 2.6E3 441.2701 3.4E3 443.2493 2.3E4 454.2540 1.9E4 455.2585 1.3E3 455.2850 1.3E3 455.3115 1.3E3 457.2646 2.4E3 459.2801 1.6E3 461.2594 5.4E3 465.3318 5.1E3 468.2701 2.6E3 469.3265 1.6E3 470.3945 6.0E3 471.3977 1.2E3 483.3422 8.0E3 501.3519 2.3E3 510.3289 1.8E3 528.3383 2.9E3 538.3224 5.3E3 550.3843 1.2E3 552.3383 1.7E3 556.3331 1.0E4 560.4044 1.5E3 562.3845 1.3E3 567.4108 1.3E3 568.3945 1.7E3 568.4306 1.3E3 569.2800 7.4E3 570.3489 1.4E3 572.3646 1.4E3 574.3441 5.3E3 578.4148 3.7E3 580.3926 1.1E3 582.4097 2.2E3 583.2963 1.2E3 585.4211 1.1E4 586.4246 1.1E3 596.4259 1.2E4 597.4292 1.9E3 643.4020 1.2E3 651.4070 3.6E3 661.4532 2.9E3 667.4632 1.6E3 669.4170 1.4E4 670.4197 1.7E3 679.4623 6.6E3 682.3641 4.4E3 683.4330 1.2E4 684.4361 1.7E3 684.4891 1.5E3 685.4484 1.1E4 686.4512 4.2E3 687.4275 1.0E5 688.4305 1.0E4 693.4422 2.0E3 695.4935 1.0E3 697.4369 2.8E3 697.4734 4.8E3 699.4622 2.2E3 700.4664 2.5E3 701.4429 1.4E4 709.5090 1.7E3 711.4533 4.7E3 776.4783 3.9E3 777.4822 1.1E3 792.5474 2.8E3 794.4899 5.7E3 810.5552 2.1E3 812.4995 6.6E3 813.5009 1.1E3 861.5665 1.7E3 879.5791 1.3E3 889.5621 4.9E3 895.5706 1.4E3 906.5995 1.0E3 907.5726 9.5E3 908.5771 2.4E3 921.5871 1.4E3 924.6101 1.1E3 925.5829 1.3E4 926.5854 2.9E3 974.6506 2.4E3 975.6484 1.0E3 976.6323 1.2E3 990.6473 1.6E3 992.6599 3.3E3 993.6483 2.0E3 994.6409 4.9E3 1002.6475 7.4E3 1003.6473 1.7E3 1008.6579 1.1E4 1009.6594 1.8E3 1010.6726 9.5E3 1011.6736 1.9E3 1020.6576 5.9E4 1021.6614 1.3E4 1037.6957 4.4E3 1038.6675 7.3E4 1039.6709 1.6E4 1048.5656 1.7E3 1049.5645 1.5E3 1065.5823 1.6E3 1066.5756 3.3E3 1067.5791 2.2E3 END IONS BEGIN IONS FEATURE_ID=420 PEPMASS=1038.6672 SCANS=420 RTINSECONDS=2066.361 CHARGE=1 MSLEVEL=2 86.0968 3.8E3 87.0445 1.0E3 89.0601 1.8E3 91.5060 1.1E3 115.0756 1.6E3 117.0912 5.3E3 133.0859 2.0E3 175.1328 2.6E3 199.1800 1.0E3 227.1754 3.3E3 229.1181 2.2E3 233.1748 1.4E3 245.1857 1.8E3 326.2433 1.2E3 328.1858 2.7E3 342.2020 3.2E3 354.2278 1.4E3 355.1860 4.7E3 357.3107 4.6E3 360.2128 2.1E3 423.2598 1.3E3 437.3010 1.0E3 441.2701 9.8E3 442.2741 1.8E3 449.3011 1.2E3 454.2539 4.9E3 455.2856 2.8E3 455.3109 2.0E3 457.2653 1.1E3 459.2808 1.8E3 465.2958 1.3E3 467.3115 2.3E3 470.3956 1.8E3 485.3221 2.1E3 508.3495 1.5E3 536.3435 1.0E3 550.3833 2.5E3 554.3546 4.3E3 554.3795 1.5E3 562.3848 1.4E3 568.3698 1.4E3 568.3950 4.1E3 569.2816 2.8E3 572.3648 2.7E3 578.3802 1.2E3 579.3825 2.4E3 580.3949 2.4E3 582.4124 1.3E3 585.4220 3.7E3 597.3934 1.0E3 598.4062 2.6E3 649.4521 2.1E3 653.4230 2.3E3 661.4536 2.1E3 667.4365 1.4E3 667.4637 4.0E3 668.4421 1.0E3 671.4327 2.3E4 678.4507 1.5E3 679.4649 2.2E3 681.4794 1.7E3 682.3649 1.2E3 683.4302 1.5E3 685.4484 1.6E4 686.4523 7.0E3 687.4275 1.7E3 687.4541 2.1E3 695.4221 1.5E3 697.4711 1.2E3 699.4639 9.2E3 700.4679 1.4E3 701.4432 6.0E3 764.4800 1.1E3 766.5311 1.1E3 782.4929 2.1E3 792.5472 1.1E3 794.4890 1.4E3 877.5626 1.4E3 881.5573 1.4E3 895.5731 5.1E3 907.5742 2.4E3 909.5910 2.2E3 921.5856 1.0E3 925.5820 2.0E3 939.5992 1.0E3 966.6494 2.5E3 976.6315 6.4E3 994.6425 3.5E4 1002.6496 2.2E3 1004.6625 1.8E3 1008.6582 5.0E3 1010.6702 2.1E3 1011.6721 1.0E3 1020.6575 1.6E4 1021.6627 3.7E3 1022.6733 9.1E3 1037.6525 1.8E3 1037.6963 1.1E3 1038.6672 2.6E4 1039.6709 5.7E3 END IONS BEGIN IONS FEATURE_ID=421 PEPMASS=1038.6675 SCANS=421 RTINSECONDS=2088.82 CHARGE=1 MSLEVEL=2 86.0968 3.8E3 87.0445 1.0E3 89.0601 1.8E3 91.5060 1.1E3 115.0756 1.6E3 117.0912 5.3E3 133.0859 2.0E3 175.1328 2.6E3 199.1800 1.0E3 227.1754 3.3E3 229.1181 2.2E3 233.1748 1.4E3 245.1857 1.8E3 326.2433 1.2E3 328.1858 2.7E3 342.2020 3.2E3 354.2278 1.4E3 355.1860 4.7E3 357.3107 4.6E3 360.2128 2.1E3 423.2598 1.3E3 437.3010 1.0E3 441.2701 9.8E3 442.2741 1.8E3 449.3011 1.2E3 454.2539 4.9E3 455.2856 2.8E3 455.3109 2.0E3 457.2653 1.1E3 459.2808 1.8E3 465.2958 1.3E3 467.3115 2.3E3 470.3956 1.8E3 485.3221 2.1E3 508.3495 1.5E3 536.3435 1.0E3 550.3833 2.5E3 554.3546 4.3E3 554.3795 1.5E3 562.3848 1.4E3 568.3698 1.4E3 568.3950 4.1E3 569.2816 2.8E3 572.3648 2.7E3 578.3802 1.2E3 579.3825 2.4E3 580.3949 2.4E3 582.4124 1.3E3 585.4220 3.7E3 597.3934 1.0E3 598.4062 2.6E3 649.4521 2.1E3 653.4230 2.3E3 661.4536 2.1E3 667.4365 1.4E3 667.4637 4.0E3 668.4421 1.0E3 671.4327 2.3E4 678.4507 1.5E3 679.4649 2.2E3 681.4794 1.7E3 682.3649 1.2E3 683.4302 1.5E3 685.4484 1.6E4 686.4523 7.0E3 687.4275 1.7E3 687.4541 2.1E3 695.4221 1.5E3 697.4711 1.2E3 699.4639 9.2E3 700.4679 1.4E3 701.4432 6.0E3 764.4800 1.1E3 766.5311 1.1E3 782.4929 2.1E3 792.5472 1.1E3 794.4890 1.4E3 877.5626 1.4E3 881.5573 1.4E3 895.5731 5.1E3 907.5742 2.4E3 909.5910 2.2E3 921.5856 1.0E3 925.5820 2.0E3 939.5992 1.0E3 966.6494 2.5E3 976.6315 6.4E3 994.6425 3.5E4 1002.6496 2.2E3 1004.6625 1.8E3 1008.6582 5.0E3 1010.6702 2.1E3 1011.6721 1.0E3 1020.6575 1.6E4 1021.6627 3.7E3 1022.6733 9.1E3 1037.6525 1.8E3 1037.6963 1.1E3 1038.6672 2.6E4 1039.6709 5.7E3 END IONS BEGIN IONS FEATURE_ID=422 PEPMASS=1039.7017 SCANS=422 RTINSECONDS=1956.828 CHARGE=1+ MSLEVEL=2 84.0811 1.7E3 85.0763 1.2E3 86.0965 7.0E3 115.0752 1.0E3 117.0909 3.1E3 133.0856 1.7E3 175.1324 2.0E3 180.9980 1.0E3 201.1233 2.0E3 225.1593 2.3E3 227.1749 4.8E3 229.1180 4.6E3 233.1739 1.2E3 243.1699 2.8E3 245.1854 5.1E3 253.0070 1.0E3 294.9020 1.0E3 310.2009 1.8E3 326.2430 3.0E3 328.1857 8.1E3 328.2111 2.2E3 329.1903 1.0E3 338.2316 4.7E3 342.2014 3.8E3 342.2381 3.4E3 354.2271 6.3E3 355.2308 1.1E3 356.2423 3.2E3 357.3099 1.4E3 360.2121 7.0E3 395.2640 2.9E3 413.2746 1.2E3 423.2597 3.5E3 423.2841 6.0E3 432.9357 1.0E3 437.2746 1.0E3 439.2543 5.7E3 440.2578 2.3E3 441.2702 2.7E4 441.2946 7.1E3 442.2733 3.8E3 449.3008 1.9E3 451.3163 2.1E3 455.2856 2.8E3 457.2645 4.1E3 458.2682 1.6E3 459.2805 8.9E3 459.3062 3.3E3 460.2834 1.1E3 467.3112 1.4E3 469.3262 4.0E3 470.3284 2.0E3 478.8653 1.0E3 508.3490 3.8E3 518.3601 1.8E3 526.3593 2.4E3 536.3436 5.7E3 536.3687 7.6E3 537.3508 1.1E3 538.3466 1.2E3 552.2997 1.1E3 552.3376 4.7E3 553.3398 1.7E3 554.3543 1.2E4 554.3794 2.0E4 555.3569 2.0E3 555.3818 1.8E3 556.3221 2.0E3 562.3843 3.9E3 570.3494 3.5E3 571.3516 1.3E3 572.3651 6.6E3 573.3676 1.5E3 579.3834 1.5E3 580.3957 4.8E3 581.3986 1.2E3 582.4106 4.6E3 584.3513 1.2E3 585.3569 1.2E3 585.4225 1.1E3 586.3807 2.1E3 596.0859 1.2E3 598.4044 2.0E3 599.4080 1.3E3 600.7730 1.1E3 617.4250 2.4E3 635.4377 9.8E3 637.3792 1.3E3 639.4424 2.1E3 649.4263 1.6E3 651.3967 2.0E3 653.4472 2.1E4 654.4515 2.1E3 661.4540 3.2E3 662.4546 2.0E3 665.4222 3.0E3 666.4220 1.5E3 667.4374 1.3E4 667.4642 2.1E3 668.4429 3.1E3 669.4062 9.4E3 675.3644 1.3E3 679.4278 1.4E3 679.4626 6.7E3 680.4658 3.7E3 683.4335 2.0E4 684.4362 1.2E4 685.4485 1.6E5 686.4516 2.9E4 687.4576 2.9E3 695.4933 1.4E3 697.4365 6.3E3 697.4721 2.9E3 698.4412 3.4E3 701.4431 2.3E4 702.4467 1.7E4 711.4893 2.8E3 722.4267 1.1E3 723.4528 2.1E3 728.9313 1.1E3 732.4564 1.6E3 736.4871 1.0E3 750.4629 6.8E3 764.4794 1.9E3 766.5313 7.1E3 768.4742 9.2E3 769.4771 1.4E3 776.4817 1.1E3 777.4835 2.3E3 780.5463 1.8E3 782.4898 2.2E3 792.5475 1.7E3 794.4894 1.9E3 795.4918 1.7E3 796.5074 1.8E3 797.5080 1.3E3 810.5198 3.2E3 810.5594 2.8E3 811.5233 2.3E3 811.5602 2.8E3 824.5760 1.8E3 835.5532 6.7E3 845.5356 2.8E3 863.5477 1.3E4 864.5519 1.9E3 877.5638 2.2E3 879.6188 1.8E3 881.5587 2.3E4 882.5613 4.4E3 889.5625 2.7E3 890.5676 3.1E3 895.5722 6.5E3 904.5761 1.2E3 907.5759 6.1E3 908.5776 5.4E3 909.5884 1.8E3 910.5920 2.5E3 921.5890 3.4E3 922.5924 1.8E3 925.5828 2.9E3 926.5856 2.6E3 939.5996 1.1E3 940.6057 1.6E3 948.6381 2.2E3 949.6208 3.2E3 966.6467 1.5E4 967.6535 2.2E3 976.6316 3.9E4 977.6353 7.9E3 992.6636 3.3E3 993.6660 3.7E3 994.6422 1.9E5 995.6462 3.8E4 1002.6467 3.8E3 1003.6525 8.0E3 1010.6727 2.3E3 1011.6756 2.8E3 1020.6579 3.9E4 1021.6614 5.9E4 1022.6620 6.0E3 1038.6121 1.3E3 1038.6685 4.1E4 1039.6111 2.5E3 1039.6714 6.0E4 1040.6769 9.0E3 END IONS BEGIN IONS FEATURE_ID=423 PEPMASS=1039.7039 SCANS=423 RTINSECONDS=2064.382 CHARGE=1+ MSLEVEL=2 86.0965 6.1E3 87.0443 1.9E3 89.0600 2.2E3 115.0754 2.5E3 117.0911 7.4E3 131.0883 1.1E3 133.0859 3.1E3 168.1063 1.7E3 175.1329 4.3E3 177.1118 1.5E3 199.1802 1.3E3 226.2158 1.3E3 227.1750 4.8E3 229.1179 4.0E3 233.1745 2.7E3 245.1851 2.0E3 324.2163 2.1E3 326.2431 2.4E3 328.1860 4.8E3 342.2020 3.6E3 342.2267 1.2E3 346.1967 1.9E3 354.2269 2.0E3 355.1855 1.1E4 356.1895 1.9E3 357.3102 9.5E3 358.3139 2.5E3 360.2121 1.9E3 395.2650 2.5E3 413.2746 1.2E3 423.2597 3.1E3 437.3006 3.4E3 441.2699 1.8E4 442.2726 2.2E3 445.2646 1.8E3 449.3000 1.9E3 454.2538 1.3E4 455.2581 4.5E3 455.2852 2.3E3 455.3108 4.7E3 459.2808 1.6E3 459.3054 1.0E3 467.3114 2.9E3 470.3946 4.2E3 471.3977 1.9E3 508.3489 2.2E3 526.3584 1.4E3 532.3743 1.5E3 536.3433 3.9E3 540.3395 2.2E3 550.3838 6.3E3 551.3876 1.0E3 552.3014 1.1E3 554.3538 8.8E3 554.3791 4.5E3 555.3573 1.6E3 558.3482 1.9E3 562.3842 2.2E3 568.3948 1.4E4 569.2809 5.0E3 569.3983 1.2E3 570.2836 2.5E3 572.3643 2.8E3 580.3945 2.3E3 581.3973 1.6E3 585.4214 6.7E3 586.4239 3.6E3 631.4416 1.7E3 635.4106 1.0E3 649.4521 4.7E3 651.3943 1.4E3 653.4219 8.2E3 667.4362 2.8E3 667.4631 1.5E4 668.4664 1.8E3 669.4053 3.4E3 671.4326 7.2E4 672.4360 1.0E4 679.4618 1.7E3 681.4771 1.5E3 682.3643 2.8E3 683.3685 1.5E3 683.4222 1.6E3 684.4901 1.4E3 685.4481 2.6E4 686.4515 6.6E3 687.4272 1.8E3 699.4644 5.4E3 703.4040 1.1E3 764.4796 3.8E3 766.5312 2.2E3 780.5480 1.3E3 782.4889 5.4E3 796.5050 2.0E3 835.5507 2.3E3 863.5472 4.0E3 864.5519 1.4E3 877.5630 4.1E3 881.5591 2.9E3 895.5730 1.3E4 896.5770 2.8E3 908.5768 1.7E3 909.5900 2.4E3 925.5825 1.3E3 926.5851 1.1E3 948.6376 1.1E3 958.6205 1.2E3 966.6479 6.5E3 967.6512 1.9E3 976.6315 1.7E4 977.6345 5.0E3 980.6627 1.7E3 990.6454 2.9E3 994.6420 9.2E4 995.6447 2.3E4 1003.6526 1.1E3 1008.6575 2.1E4 1009.6615 5.5E3 1010.6686 1.3E3 1020.6562 6.7E3 1021.6609 9.5E3 1022.6725 6.6E3 1023.6744 2.0E3 1038.6667 8.5E3 1039.6711 1.2E4 1040.6283 1.3E3 END IONS BEGIN IONS FEATURE_ID=424 PEPMASS=1039.7102 SCANS=424 RTINSECONDS=2086.627 CHARGE=1 MSLEVEL=2 86.0969 4.5E3 87.0446 1.7E3 89.0601 3.8E3 99.0808 1.0E3 101.0965 1.1E3 112.0873 1.5E3 115.0755 3.5E3 117.0911 8.5E3 133.0858 3.5E3 168.1068 1.5E3 175.1328 4.3E3 177.1120 2.2E3 199.1807 1.2E3 201.1236 1.2E3 227.1749 3.5E3 229.1179 2.5E3 233.1744 2.5E3 245.1319 1.9E3 245.1859 2.5E3 291.2158 1.1E3 324.2172 1.6E3 326.2439 1.4E3 328.1862 3.4E3 338.2323 1.9E3 342.2019 2.4E3 344.2002 1.9E3 352.2478 1.3E3 356.2433 1.3E3 360.2122 3.4E3 409.2807 1.1E3 437.2755 1.7E3 437.2992 3.4E3 441.2163 1.4E3 441.2701 9.0E3 442.2735 3.1E3 455.2859 8.7E3 455.3102 4.5E3 457.2659 1.9E3 459.2264 8.6E3 459.2805 2.4E3 465.3326 1.3E3 466.3365 1.3E3 469.2729 1.8E3 469.3260 2.9E3 473.2432 1.2E3 473.2972 1.2E3 487.2823 2.7E3 522.3646 1.0E3 526.3058 1.3E3 526.3591 1.1E3 532.3753 1.7E3 536.3439 1.9E3 540.3743 1.2E3 550.3600 1.5E3 550.3849 5.5E3 554.3000 1.7E3 554.3547 4.4E3 554.3804 1.8E3 556.3602 1.2E3 568.3707 3.8E3 568.3957 1.1E4 569.3990 1.8E3 570.3400 1.5E3 572.3100 4.1E3 572.3652 1.8E3 578.4172 1.3E3 579.4182 2.2E3 580.4227 1.5E3 582.3566 3.1E3 582.4104 2.8E3 584.3540 1.0E3 586.3809 3.5E3 598.4051 1.1E3 600.3673 6.0E3 643.4014 7.5E3 644.4040 1.1E3 649.4536 2.6E3 653.4221 2.7E3 657.4196 1.3E3 663.4674 2.8E3 665.4139 1.5E3 667.4636 5.4E3 669.4075 2.1E3 671.4330 3.0E4 672.4355 3.2E3 681.4245 1.7E3 681.4534 3.0E3 681.4799 6.1E3 682.4840 1.2E3 683.4259 3.4E3 685.3970 3.8E3 685.4481 9.8E3 686.4513 6.3E3 687.4553 3.7E3 688.4581 1.1E3 695.4937 1.1E3 697.4386 2.9E3 699.4352 4.6E3 699.4640 4.1E4 700.4671 6.3E3 701.4432 6.7E3 702.4457 3.6E3 703.4050 3.7E4 748.5210 1.1E3 751.4852 1.8E3 764.4793 1.8E3 766.5324 1.3E3 778.4960 2.7E3 782.4900 1.6E3 794.5608 2.8E3 796.4520 1.3E3 796.5057 4.4E3 812.5200 2.2E3 814.4631 1.3E3 828.4743 1.0E3 835.5531 1.5E3 863.5482 2.3E3 863.5863 1.6E3 877.5647 2.2E3 881.5565 1.9E3 891.5805 4.3E3 895.5750 5.2E3 909.5353 2.3E3 909.5906 1.1E4 910.5934 1.2E3 925.5869 1.6E3 927.5463 4.5E3 941.5610 1.3E3 966.6490 4.0E3 976.6313 8.0E3 977.6385 1.9E3 994.6419 5.0E4 995.6461 9.2E3 1002.6500 1.0E3 1004.6632 9.4E3 1005.6647 2.5E3 1008.6588 4.7E3 1012.6353 4.9E3 1020.6588 5.5E3 1021.6617 8.9E3 1022.6191 5.7E3 1022.6731 4.7E4 1023.6776 1.3E4 1038.6666 7.4E3 1039.6730 1.0E4 1040.6300 2.7E4 END IONS BEGIN IONS FEATURE_ID=425 PEPMASS=1040.6313 SCANS=425 RTINSECONDS=2022.176 CHARGE=1+ MSLEVEL=2 86.0968 6.1E3 87.0443 2.1E3 89.0600 3.2E3 91.5061 1.7E3 99.0807 1.5E3 104.0531 1.4E3 115.0756 2.2E3 117.0912 7.7E3 131.0884 1.1E3 133.0859 4.2E3 175.1328 4.8E3 177.1124 1.1E3 199.1805 1.6E3 201.1232 1.1E3 227.1752 5.5E3 229.1185 2.2E3 233.1746 3.3E3 245.1315 1.6E3 245.1857 1.7E3 247.0742 1.0E3 263.1422 2.6E3 326.2428 3.2E3 328.1864 4.3E3 329.1904 1.0E3 338.2321 5.9E3 342.2017 2.0E3 346.1425 1.5E3 356.2422 3.4E3 360.1586 1.6E3 360.2119 2.1E3 378.1688 3.5E3 395.2654 2.7E3 423.2593 3.6E3 423.2845 1.0E3 427.2547 3.1E3 433.3057 1.0E3 439.2546 2.7E3 441.2701 1.9E4 442.2728 2.9E3 451.3162 8.3E3 455.2853 1.5E3 459.2263 6.7E3 459.2807 2.4E3 469.3268 1.0E4 470.3307 1.4E3 473.2424 2.6E3 477.2375 2.6E3 487.3372 1.3E3 526.3052 2.0E3 536.3449 1.1E3 536.3686 1.3E3 544.3161 1.1E3 546.3899 2.1E3 554.3000 1.6E3 554.3539 4.2E3 554.3792 3.3E3 555.3829 1.5E3 563.3887 1.1E3 564.4009 6.0E3 568.3933 1.1E3 572.3104 8.1E3 572.3662 2.4E3 573.3676 1.2E3 575.5032 1.3E3 581.3978 1.5E3 582.3565 1.4E3 582.4105 1.3E4 583.4135 1.9E3 584.3536 1.3E3 586.3260 1.2E3 590.3210 5.0E3 600.3667 6.9E3 604.3365 2.7E3 635.4368 1.5E3 645.4587 2.0E3 653.4223 1.7E3 653.4473 1.8E3 654.4257 1.2E3 654.4525 1.5E3 657.4200 1.0E3 663.4687 3.6E3 671.4329 1.9E4 672.4355 9.3E3 679.4275 1.1E3 680.4663 1.5E3 681.4256 1.5E3 681.4786 8.4E3 682.4819 1.7E3 683.4330 3.7E3 684.4370 8.9E3 685.3945 1.0E4 685.4487 7.0E3 686.4517 5.7E3 687.3984 1.1E3 687.4551 2.5E3 688.4577 1.3E3 695.4944 1.6E3 697.3835 1.4E3 697.4370 2.4E3 698.4413 1.8E3 699.4360 1.8E3 699.4659 1.5E3 700.4666 1.1E3 701.4436 2.5E3 702.4465 6.6E3 703.4050 9.7E4 704.4078 1.2E4 713.4512 2.3E3 715.3938 4.6E3 717.4211 1.5E3 760.4857 1.0E3 764.4800 1.1E3 769.4402 1.3E3 778.4958 2.4E3 794.5611 2.1E3 796.4517 1.6E3 796.5053 4.3E3 797.5092 1.3E3 810.4672 1.4E3 812.5198 2.7E3 814.4636 2.4E3 828.4789 3.2E3 863.5845 1.7E3 881.5409 1.8E3 882.5238 1.5E3 882.5601 1.8E3 891.5773 3.3E3 896.5766 1.7E3 908.5748 2.1E3 909.5351 4.4E3 909.5857 3.7E3 910.5389 1.0E3 910.5928 1.5E3 923.5497 1.7E3 927.5454 9.5E3 928.5489 1.8E3 941.5618 5.0E3 942.5664 1.2E3 964.6323 1.7E3 966.6481 1.4E3 967.6486 1.6E3 976.6332 4.7E3 977.6351 4.7E3 993.6658 1.3E3 994.6423 2.5E4 995.6463 2.8E4 996.6489 3.3E3 1003.6511 2.3E3 1004.6517 2.3E3 1008.6588 1.6E3 1009.6581 1.4E3 1012.6351 9.7E3 1013.6363 2.0E3 1021.6609 1.9E4 1022.6183 1.4E4 1022.6650 1.5E4 1023.6194 2.8E3 1023.6669 1.7E3 1039.6685 9.7E3 1040.6295 6.4E4 1040.6730 4.2E3 1041.6329 1.6E4 END IONS BEGIN IONS FEATURE_ID=426 PEPMASS=1040.6304 SCANS=426 RTINSECONDS=2052.304 CHARGE=1+ MSLEVEL=2 86.0968 5.6E3 87.0442 2.5E3 89.0601 5.9E3 99.0806 2.0E3 101.0598 1.0E3 101.0962 1.8E3 104.0532 1.3E3 108.0859 1.1E3 115.0755 4.6E3 117.0911 1.1E4 124.0805 1.3E3 133.0856 4.5E3 146.0935 1.3E3 153.1012 1.3E3 175.1145 1.5E3 175.1327 8.0E3 177.1119 2.0E3 201.1233 1.5E3 217.1367 1.3E3 227.1755 2.8E3 229.1181 3.7E3 233.1747 3.2E3 245.1313 3.4E3 245.1859 4.0E3 291.2159 1.6E3 324.2163 1.0E3 326.2433 1.1E3 328.1859 4.5E3 338.2316 4.9E3 342.2018 2.6E3 344.1990 3.2E3 356.2426 3.7E3 357.3110 1.1E3 360.2124 5.5E3 395.2649 1.0E3 413.2214 1.0E3 413.2390 1.6E3 423.2595 1.4E3 425.2388 1.1E3 437.3003 1.1E3 441.2160 2.4E3 441.2698 9.4E3 441.2954 1.5E3 442.2733 2.5E3 443.2498 1.5E3 444.2523 1.3E3 451.3158 1.7E3 455.2852 1.4E3 455.3106 1.5E3 459.2262 1.5E4 459.2808 4.4E3 460.2293 1.3E3 469.2720 3.7E3 469.3259 3.5E3 471.2690 1.5E3 473.2421 2.4E3 487.2827 4.0E3 508.3492 1.3E3 526.3044 1.9E3 526.3234 1.1E3 536.3439 2.2E3 536.3685 1.3E3 544.3157 1.6E3 550.3845 2.2E3 554.3001 2.5E3 554.3539 5.1E3 554.3796 4.8E3 555.3576 1.5E3 555.3825 1.5E3 564.3465 1.8E3 568.3942 3.0E3 572.3101 7.3E3 572.3644 3.0E3 573.3141 1.1E3 582.3553 4.6E3 582.4100 6.3E3 583.3598 1.1E3 584.3528 1.2E3 585.3576 1.0E3 586.3251 1.1E3 590.3209 2.3E3 600.3670 9.3E3 604.3357 1.8E3 635.4370 1.8E3 636.4401 1.5E3 649.4521 1.2E3 653.4474 4.8E3 654.4501 3.1E3 657.4177 9.9E3 658.4211 5.7E3 663.4139 1.4E3 667.4376 3.4E3 667.4644 2.4E3 668.4396 1.3E3 669.4072 1.7E3 671.4335 4.4E3 672.4349 2.6E3 681.4256 3.5E3 683.4282 1.6E3 684.4349 2.0E3 685.3973 5.8E3 685.4483 3.8E4 686.4513 2.1E4 687.4272 3.8E3 687.4553 2.0E3 688.4305 7.5E3 689.4329 3.5E3 697.4377 5.0E3 698.4405 1.8E3 699.4349 1.0E4 700.4377 1.1E3 701.4434 1.2E3 702.4466 2.1E3 703.4047 6.3E4 704.4077 9.1E3 713.4518 1.5E3 750.4647 2.2E3 764.4786 1.1E3 766.5336 1.6E3 768.4735 1.9E3 769.4776 1.1E3 780.5478 1.1E3 782.4899 1.0E3 783.4927 1.1E3 796.4501 2.7E3 796.5049 1.6E3 812.5212 4.1E3 814.4635 2.5E3 828.4774 1.6E3 835.5530 1.5E3 836.5541 1.5E3 863.5496 3.0E3 864.5517 2.6E3 877.5619 1.0E3 878.5685 1.3E3 881.5599 5.4E3 882.5612 4.6E3 895.5751 2.8E3 896.5774 2.1E3 908.5767 1.7E3 909.5348 4.3E3 909.5847 1.7E3 923.5484 1.0E3 926.5880 2.0E3 927.5465 8.3E3 927.5904 1.3E3 928.5479 1.2E3 941.5626 3.3E3 966.6464 3.1E3 967.6528 2.8E3 976.6318 7.4E3 977.6351 6.3E3 990.6474 1.7E3 991.6506 2.4E3 994.6420 3.4E4 995.6456 3.8E4 996.6470 3.8E3 1008.6580 1.0E4 1009.6603 1.1E4 1010.6650 1.3E3 1011.6780 1.4E3 1012.6342 6.0E3 1013.6396 1.4E3 1021.6611 9.0E3 1022.6188 8.6E3 1022.6652 4.9E3 1023.6188 2.2E3 1039.6697 9.8E3 1040.6292 4.1E4 1040.6760 4.7E3 1041.6327 1.0E4 END IONS BEGIN IONS FEATURE_ID=427 PEPMASS=1040.6309 SCANS=427 RTINSECONDS=2076.46 CHARGE=1 MSLEVEL=2 86.0967 7.3E3 87.0443 2.7E3 89.0601 4.5E3 99.0807 1.4E3 112.0871 1.2E3 115.0753 3.2E3 117.0911 1.2E4 124.0804 1.1E3 133.0858 4.0E3 137.1065 1.2E3 153.1014 1.1E3 157.1220 1.1E3 168.1067 1.6E3 173.1167 1.2E3 175.1326 6.8E3 177.1122 2.9E3 199.1805 1.3E3 201.1233 1.9E3 227.1750 3.9E3 229.1182 5.2E3 231.1699 1.2E3 233.1746 4.3E3 245.1315 5.3E3 245.1857 3.4E3 291.2165 1.6E3 324.2171 1.6E3 326.2431 1.6E3 328.1861 6.2E3 338.2316 6.4E3 342.2016 3.5E3 342.2269 1.4E3 344.1990 5.2E3 356.2423 3.4E3 357.3104 1.1E3 360.2122 5.0E3 413.2205 2.5E3 413.2749 1.3E3 423.2600 1.4E3 437.2993 3.1E3 438.3042 1.1E3 441.2152 2.6E3 441.2698 1.3E4 442.2730 2.7E3 445.2646 1.3E3 455.2855 6.9E3 455.3097 4.8E3 456.2883 2.5E3 456.3132 1.5E3 459.2263 2.1E4 459.2797 3.2E3 460.2278 1.1E3 469.2729 6.3E3 469.3267 3.8E3 471.2687 1.2E3 473.2421 1.9E3 473.2963 1.4E3 487.2834 5.3E3 487.3370 1.1E3 508.3486 2.0E3 526.3054 2.6E3 532.3738 2.1E3 536.3449 1.7E3 544.3145 2.2E3 550.3841 4.3E3 551.3879 1.9E3 554.3003 3.2E3 554.3542 4.6E3 554.3789 3.1E3 554.4142 1.8E3 555.3590 1.2E3 555.3828 1.6E3 564.3461 3.6E3 568.3692 2.5E3 568.3947 1.0E4 569.3979 4.7E3 572.3102 9.3E3 572.3638 4.4E3 582.3563 6.9E3 582.4095 4.9E3 584.3535 1.9E3 586.3261 1.2E3 586.3798 1.6E3 590.3201 1.2E3 600.3668 1.3E4 601.3705 1.0E3 604.3358 2.4E3 637.4157 1.2E3 643.4011 2.5E3 644.4053 1.3E3 649.4525 2.5E3 650.4568 1.3E3 651.3951 1.1E3 653.4219 5.6E3 654.4264 2.4E3 663.4145 1.9E3 663.4674 1.4E3 664.4717 1.1E3 665.4106 1.4E3 667.4631 7.0E3 668.4665 3.2E3 669.4053 1.5E3 670.4112 1.1E3 671.4326 3.6E4 672.4360 2.2E4 673.4371 1.7E3 679.4257 1.0E3 681.4274 3.7E3 681.4528 1.3E3 681.4787 4.6E3 682.4825 2.8E3 683.4202 2.8E3 684.4254 1.3E3 685.3943 8.5E3 685.4474 5.7E3 686.4001 1.0E3 686.4510 3.5E3 687.4551 1.2E3 697.4383 5.4E3 698.4415 1.7E3 699.4344 1.1E4 699.4643 2.5E4 700.4380 1.2E3 700.4669 1.6E4 701.4418 1.4E3 702.4476 2.2E3 703.4047 8.2E4 704.4077 9.8E3 713.4506 1.9E3 751.4804 1.0E3 765.4837 1.3E3 766.5315 1.8E3 767.5341 1.2E3 778.4941 1.3E3 779.4966 1.1E3 782.4886 2.1E3 783.4918 1.7E3 794.5613 1.8E3 795.5667 1.1E3 796.4518 3.5E3 796.5059 3.4E3 797.5080 1.4E3 810.4675 1.4E3 812.5185 5.2E3 814.4627 4.1E3 828.4782 2.2E3 835.5538 1.5E3 863.5486 2.4E3 864.5520 1.9E3 877.5629 1.6E3 878.5656 1.5E3 881.5443 2.0E3 882.5220 1.0E3 891.5766 2.6E3 892.5819 1.6E3 895.5735 5.2E3 896.5762 4.5E3 909.5403 4.9E3 909.5848 5.2E3 910.5933 4.1E3 923.5527 1.2E3 927.5455 1.2E4 928.5490 1.7E3 941.5618 4.3E3 966.6488 3.0E3 967.6508 3.5E3 976.6296 6.8E3 977.6334 9.2E3 994.6412 3.7E4 995.6448 4.7E4 996.6490 6.2E3 1004.6618 4.6E3 1005.6644 4.9E3 1008.6562 2.3E3 1009.6623 2.8E3 1012.6354 9.3E3 1013.6402 2.3E3 1021.6605 4.2E3 1022.6179 9.3E3 1022.6726 2.2E4 1023.6225 2.0E3 1023.6755 2.7E4 1024.6808 3.3E3 1039.6722 4.7E3 1040.6293 5.0E4 1041.6318 1.1E4 END IONS BEGIN IONS FEATURE_ID=428 PEPMASS=1040.6323 SCANS=428 RTINSECONDS=2090.846 CHARGE=1 MSLEVEL=2 85.0765 1.0E3 86.0967 2.1E3 87.0444 3.0E3 89.0600 4.4E3 99.0809 2.4E3 101.0963 1.3E3 112.0873 1.6E3 115.0755 3.9E3 116.0835 1.3E3 117.0912 1.2E4 133.0858 3.5E3 157.1225 1.8E3 168.1065 1.2E3 175.1327 8.4E3 177.1121 2.3E3 227.1755 3.9E3 229.1185 1.6E3 233.1743 4.6E3 249.1270 1.0E3 291.2162 1.9E3 326.2443 1.5E3 328.1864 2.2E3 342.2022 1.5E3 352.2473 2.6E3 364.1540 1.7E3 370.2596 1.4E3 395.2653 1.6E3 423.2590 2.3E3 441.2704 9.7E3 442.2741 1.9E3 445.2109 2.6E3 455.2867 1.8E3 459.2263 1.1E3 463.2223 1.1E3 465.3309 4.2E3 483.3418 3.3E3 487.2840 1.7E3 508.3487 1.8E3 526.3586 1.0E3 554.3537 4.0E3 555.3579 1.4E3 558.2935 2.0E3 560.4054 1.6E3 572.3705 1.3E3 576.3062 1.6E3 578.4158 2.1E3 590.3214 1.8E3 596.4265 4.3E3 600.3666 3.8E3 671.3798 3.1E3 671.4327 3.2E3 672.4365 1.2E3 677.4836 2.1E3 685.4480 2.5E3 686.4520 2.6E3 687.4542 1.6E3 689.3890 4.2E4 690.3928 5.5E3 695.4951 3.6E3 697.3837 1.0E3 699.4368 1.2E3 703.4052 2.3E3 713.4509 1.5E3 715.3920 2.6E3 792.5106 1.0E3 794.5092 1.4E3 796.4520 1.4E3 812.5203 4.4E3 828.4774 1.7E3 881.5405 2.3E3 882.5272 1.5E3 909.5372 4.8E3 923.5544 1.0E3 923.6040 1.6E3 927.5468 4.5E3 941.5619 2.4E3 977.6328 1.1E3 994.6429 4.9E3 995.6494 5.2E3 1012.6348 4.7E3 1021.6628 3.0E3 1022.6189 6.6E3 1022.6675 2.2E3 1023.6232 1.5E3 1039.6702 5.3E3 1040.6299 3.5E4 1040.6736 2.3E3 1041.6328 6.3E3 END IONS BEGIN IONS FEATURE_ID=429 PEPMASS=1040.6841 SCANS=429 RTINSECONDS=1871.72 CHARGE=1+ MSLEVEL=2 72.0812 1.5E3 86.0948 1.1E3 86.0967 1.2E4 102.0550 1.0E3 117.0909 1.5E3 175.1322 1.4E3 199.1805 3.0E3 201.1232 1.9E3 213.1595 1.8E3 227.1751 2.1E4 229.1180 4.8E3 231.1698 2.2E3 245.1855 7.8E3 281.2216 1.6E3 298.2483 1.2E3 326.2433 1.5E4 327.2469 1.4E3 328.1861 1.4E4 338.2316 3.6E3 342.2020 3.1E3 344.2540 3.6E3 356.2426 3.1E4 357.2456 1.4E3 360.2121 9.5E3 370.2576 1.1E3 395.2641 2.6E3 413.2752 2.9E3 423.2582 3.2E3 423.3221 1.1E3 441.2701 9.1E4 441.3308 1.4E3 442.2736 8.4E3 451.3159 8.7E3 452.3195 2.1E3 455.2859 4.2E3 457.2650 1.3E3 459.2807 2.1E4 460.2831 1.2E3 469.3266 1.4E5 470.3300 1.3E4 483.3422 4.1E3 508.3492 2.0E3 526.3598 4.5E3 536.3434 3.6E3 546.3891 1.7E3 554.3539 2.3E4 554.4147 4.1E3 555.3578 2.1E3 564.3998 1.5E4 565.4035 3.5E3 568.3705 1.1E3 572.3643 2.2E4 573.3687 2.5E3 575.5027 2.0E3 582.4103 1.8E5 583.4136 1.9E4 596.4255 5.6E3 651.4298 1.1E3 653.4843 2.8E3 663.4680 1.1E4 664.4717 2.3E3 667.4380 1.4E4 668.4412 1.7E3 671.3783 6.9E3 681.4786 7.8E4 682.4816 1.1E4 683.4335 4.5E3 684.4368 8.4E3 685.4483 2.1E5 686.4515 2.9E4 695.4944 2.1E3 701.4448 2.0E3 702.4467 2.2E3 703.4495 1.5E3 750.4987 2.7E3 760.4835 1.1E3 778.4937 8.0E3 779.4990 1.5E3 796.5043 6.4E3 891.5800 2.2E3 908.5759 1.0E3 909.5900 1.3E4 910.5931 3.8E3 980.6276 1.5E3 1003.6514 1.6E3 1004.6575 1.7E3 1021.6612 1.5E4 1022.6669 1.3E4 1023.6729 1.4E3 1039.6716 3.4E3 1040.6797 2.4E3 END IONS BEGIN IONS FEATURE_ID=430 PEPMASS=1042.6100 SCANS=430 RTINSECONDS=1683.637 CHARGE=1+ MSLEVEL=2 86.0966 2.0E3 180.1017 1.2E3 245.1854 1.6E3 247.1106 1.7E3 261.1262 5.5E3 279.1369 1.2E3 324.2161 2.9E3 342.2263 1.2E3 360.1943 4.9E3 362.1372 3.3E3 376.1526 1.1E3 411.2226 1.7E3 437.2993 3.6E3 441.2698 1.7E3 455.3109 3.6E3 457.2107 3.8E3 459.2796 2.5E3 475.2213 2.8E4 476.2243 1.8E3 489.2362 1.2E3 524.3068 1.9E3 542.3000 2.4E3 550.3864 1.0E3 560.3098 2.1E3 566.3243 3.3E3 568.3953 4.8E3 570.2949 2.1E3 570.3378 1.3E3 584.3347 5.4E3 588.3049 1.2E4 602.3457 7.8E3 603.3499 1.2E3 606.3157 5.0E3 620.3314 1.8E3 637.3906 2.3E3 637.4170 1.2E3 655.4020 7.4E3 656.4047 1.5E3 665.3910 1.1E3 673.3934 1.5E3 683.4021 2.8E3 683.4229 3.0E3 701.3883 1.0E4 701.4152 5.8E3 702.3916 1.8E3 715.4291 1.5E3 717.3739 1.6E3 719.3995 1.1E5 720.4029 1.3E4 737.4688 2.3E3 780.4193 1.8E3 782.4904 2.4E3 796.5033 1.5E3 798.4306 4.8E3 814.4988 4.6E3 816.4412 7.3E3 847.5157 1.0E3 850.5496 1.3E3 865.5238 1.9E3 883.5189 2.0E3 911.5147 7.4E3 929.5249 1.6E4 930.5287 2.1E3 943.5414 3.8E3 950.6145 1.4E3 960.6001 4.5E3 978.6108 2.6E4 979.6158 5.0E3 996.6026 1.9E3 997.5877 1.8E3 1006.5896 1.9E3 1014.6133 1.2E4 1015.6142 2.2E3 1024.5986 2.1E4 1025.6001 3.4E3 1042.6090 1.1E5 1043.6122 2.2E4 END IONS BEGIN IONS FEATURE_ID=431 PEPMASS=1042.6105 SCANS=431 RTINSECONDS=1771.498 CHARGE=1+ MSLEVEL=2 86.0966 1.8E3 229.1181 1.3E3 233.1322 2.4E3 245.1853 1.8E3 259.0741 1.3E3 261.1265 1.2E4 277.0848 1.8E3 324.2163 4.8E3 328.1862 1.6E3 332.1996 4.8E3 342.2013 1.3E3 342.2271 2.0E3 343.2949 1.1E3 360.1946 2.6E4 360.2107 3.0E3 361.1974 1.2E3 376.1530 1.4E3 378.2049 1.9E3 383.1922 1.2E3 411.2233 2.7E3 429.2160 2.8E3 441.2703 2.2E3 453.2411 6.5E3 455.3111 3.1E3 457.2112 4.0E3 459.2810 4.0E3 471.2517 1.7E4 472.2547 1.5E3 475.2215 3.4E4 476.2251 2.8E3 489.2374 1.6E3 489.2621 1.3E4 490.2661 1.1E3 496.2755 1.9E3 524.3076 3.5E3 538.3302 1.1E3 540.4002 1.3E3 542.3013 2.4E3 554.3537 2.3E3 559.2432 1.7E3 560.3091 2.8E3 566.3250 5.2E3 568.3958 2.7E3 570.2941 5.5E3 570.3375 2.1E3 572.3652 2.5E3 574.3509 1.4E3 584.3355 1.4E4 585.3390 1.5E3 588.3053 1.4E4 589.3091 1.0E3 602.3461 2.0E4 603.3502 2.2E3 606.3157 2.0E3 620.3314 2.0E3 637.3917 4.7E3 637.4167 1.3E3 651.4307 1.1E3 655.4040 9.3E3 665.3885 4.8E3 665.4147 1.8E3 673.3945 1.7E3 673.4207 1.1E3 683.4043 1.0E4 683.4257 4.2E3 701.3887 1.7E4 701.4149 3.0E4 702.3923 1.9E3 702.4200 2.6E3 705.3833 2.5E3 715.4301 3.1E3 719.4000 1.3E5 720.4033 1.7E4 737.4702 2.5E3 764.4788 1.4E3 770.4357 1.4E3 780.4197 4.1E3 782.4896 2.0E3 796.4877 2.5E3 798.4304 9.4E3 799.4334 1.4E3 812.4467 3.3E3 814.4984 1.1E4 815.5010 2.5E3 816.4417 1.2E4 817.4440 2.8E3 828.5158 1.0E3 830.4591 3.4E3 847.5170 2.2E3 865.5276 2.3E3 883.5199 6.2E3 884.5112 1.4E3 893.5045 2.9E3 911.5150 1.4E4 912.5155 2.5E3 915.5436 1.4E3 925.5317 2.8E3 927.5825 1.7E3 929.5256 2.9E4 930.5293 3.8E3 932.6061 1.4E3 943.5405 6.7E3 944.5404 1.3E3 950.6146 2.7E3 960.6010 7.2E3 961.6039 1.9E3 978.6115 3.4E4 979.6160 6.1E3 996.6036 4.0E3 997.5917 1.8E3 1006.5873 3.6E3 1014.6151 2.0E4 1015.6187 3.5E3 1024.5988 3.6E4 1025.6022 9.6E3 1042.6096 1.4E5 1043.6127 3.5E4 END IONS BEGIN IONS FEATURE_ID=432 PEPMASS=1042.6436 SCANS=432 RTINSECONDS=1911.264 CHARGE=1+ MSLEVEL=2 72.0812 1.3E3 75.7092 1.1E3 84.0445 1.7E3 85.9121 1.1E3 85.9249 1.2E3 86.0968 3.0E4 86.7570 1.3E3 98.2449 1.1E3 101.9983 1.1E3 106.7367 1.1E3 111.0251 1.1E3 117.0909 1.9E3 117.4423 1.3E3 125.9354 1.1E3 130.0499 1.7E3 132.1019 1.6E3 150.3668 1.2E3 183.1132 1.5E3 187.4612 1.3E3 192.0948 1.1E3 199.1806 7.7E3 201.1234 6.2E3 209.0373 3.3E3 211.1472 1.3E3 213.1596 2.3E3 227.1753 4.0E4 229.1179 1.7E4 231.1697 3.2E3 243.1330 3.1E3 245.1854 1.9E4 255.1696 1.6E3 269.2388 1.2E3 281.2218 2.4E3 282.3792 1.2E3 283.2002 1.5E3 291.3130 1.4E3 293.1849 2.1E3 295.2372 1.7E3 296.1964 2.4E3 297.1804 2.0E3 298.2478 1.3E3 299.4159 1.3E3 311.1966 1.8E3 313.1377 1.6E3 315.5379 1.5E3 324.1906 2.8E3 326.2429 2.1E4 328.1863 3.1E4 330.2058 1.6E3 331.1019 1.4E3 339.4677 1.5E3 340.1898 2.2E3 340.2590 2.4E3 342.2016 2.0E4 344.2535 2.8E3 358.2005 3.8E4 358.2688 1.8E3 359.2041 1.6E3 360.2120 2.5E4 376.2108 2.3E4 377.2149 1.4E3 377.2802 7.0E3 390.1140 1.2E3 392.2532 1.6E3 395.2645 2.1E4 396.2491 4.3E3 408.2113 1.5E3 408.9454 1.2E3 409.2795 4.3E3 410.2639 1.3E3 413.2755 7.6E3 414.2591 3.8E3 422.6563 1.3E3 423.2595 2.5E4 424.2617 1.2E3 425.2794 1.8E3 427.2905 2.2E3 430.0032 1.5E3 437.2750 5.4E3 439.3270 2.9E3 441.2701 1.5E5 442.2740 9.7E3 443.2901 2.1E3 451.2542 2.2E3 453.2737 9.5E3 454.2748 1.5E3 455.2855 2.1E4 457.3374 5.2E3 459.2808 2.8E4 460.2838 1.8E3 461.3002 3.9E3 471.2844 5.4E4 471.3529 3.3E3 472.2882 4.1E3 473.2957 3.8E3 475.2787 1.5E3 484.7005 2.4E3 489.2950 7.7E4 490.2985 8.2E3 490.3632 2.2E3 491.2373 5.5E3 507.2809 2.3E3 507.3058 1.1E4 508.3484 2.6E4 509.3330 4.2E3 509.3506 2.5E3 525.2910 4.3E3 526.3592 1.5E4 527.3433 4.1E3 536.3428 2.5E4 537.3466 2.5E3 538.3625 3.5E3 552.3016 5.6E3 552.3429 2.1E3 554.3536 7.5E4 555.3569 6.9E3 556.3730 3.3E3 558.3169 3.2E3 566.3580 2.3E4 567.3623 2.3E3 568.3018 1.5E3 568.3700 1.2E4 570.3524 2.5E3 570.4205 2.9E3 572.3645 3.4E4 573.3674 2.8E3 574.3835 1.2E4 583.4154 1.6E3 584.3685 6.5E4 585.3715 6.4E3 586.3110 5.1E3 586.3796 1.9E4 587.3842 2.0E3 588.3638 4.4E3 602.3787 1.5E5 603.3819 1.7E4 604.3214 1.4E4 605.3901 3.7E3 619.4053 1.6E3 620.3653 1.6E3 620.3893 1.3E3 621.4313 5.9E3 622.4154 1.7E3 630.3724 1.4E3 638.3724 1.6E3 639.4432 7.4E3 640.4244 2.5E3 644.5013 1.3E3 649.4268 7.0E3 665.3848 2.2E3 665.4261 1.6E4 666.4307 2.3E3 667.3722 2.0E3 667.4376 6.5E4 668.4396 9.9E3 671.4002 6.3E3 672.4003 1.5E3 673.4532 2.0E3 676.3219 1.2E3 681.3858 2.8E3 682.4799 1.8E3 683.4367 4.1E4 684.4396 5.9E3 685.4483 6.6E5 686.4517 8.0E4 687.4680 5.2E3 689.4112 4.3E3 697.4528 4.4E3 699.3948 1.9E4 701.4470 9.0E4 702.4510 1.4E4 703.3892 5.4E3 704.4566 2.2E3 715.4630 2.1E4 716.4654 1.6E3 717.4057 5.0E4 718.4094 5.5E3 725.4489 1.8E3 727.3897 1.6E3 732.4902 1.7E3 732.6342 1.3E3 743.4586 3.5E3 770.4681 8.8E3 771.4513 1.1E4 772.4550 2.7E3 780.4526 9.3E3 784.4839 5.6E3 786.5340 5.7E3 794.4671 3.5E3 795.4527 2.5E3 796.5191 7.2E3 798.4632 3.5E4 799.4681 5.5E3 800.5526 2.1E3 802.4943 2.1E3 812.4787 1.4E4 813.4821 2.7E3 814.5315 4.1E4 815.5350 7.6E3 816.4740 3.8E4 817.4769 5.9E3 828.5464 4.1E3 830.4892 2.2E4 831.4926 4.0E3 865.5451 5.6E3 866.5256 1.9E3 871.4608 1.3E3 882.5936 4.2E3 883.5514 2.6E4 884.5340 1.5E4 885.5396 3.0E3 893.5372 8.6E3 901.5627 7.2E3 907.5530 1.3E3 910.6000 1.4E3 911.5475 4.6E4 912.5493 7.5E3 915.5778 3.7E3 925.5612 1.0E4 927.6145 7.5E3 929.5580 9.7E4 930.5607 2.2E4 939.5385 2.0E3 943.5728 3.3E4 944.5757 6.6E3 959.2067 1.4E3 969.6242 1.6E3 978.6225 1.8E3 996.6349 1.1E4 997.6188 1.5E4 998.6215 2.4E3 1006.6187 6.2E3 1014.6467 6.6E4 1015.6500 1.3E4 1023.6622 2.7E3 1024.6316 1.1E5 1025.6343 2.1E4 1042.6421 4.5E5 1043.6453 9.9E4 1054.1719 1.7E3 1057.4292 1.6E3 END IONS BEGIN IONS FEATURE_ID=433 PEPMASS=1044.6573 SCANS=433 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 89.0600 3.4E3 99.0808 1.4E3 115.0755 2.1E3 117.0912 8.0E3 133.0862 3.1E3 157.1222 1.2E3 175.1329 4.2E3 177.1123 1.6E3 233.1748 2.5E3 685.4467 1.1E3 1008.6578 1.0E3 1043.6412 1.5E3 1044.6558 3.0E5 1045.6588 6.3E4 1063.5818 1.2E3 1064.5819 1.3E3 1077.5991 1.1E3 1078.5977 1.6E3 END IONS BEGIN IONS FEATURE_ID=434 PEPMASS=1044.6562 SCANS=434 RTINSECONDS=2157.327 CHARGE=1+ MSLEVEL=2 117.0912 2.6E3 175.1328 1.5E3 233.1745 1.2E3 1044.6559 2.4E5 1045.6589 4.9E4 END IONS BEGIN IONS FEATURE_ID=435 PEPMASS=1044.6957 SCANS=435 RTINSECONDS=2014.276 CHARGE=1+ MSLEVEL=2 86.0947 1.4E3 86.0967 1.9E4 89.0599 1.9E3 102.0548 1.3E3 115.0752 2.4E3 117.0911 5.7E3 122.0965 6.3E3 133.0858 2.3E3 133.8574 1.2E3 146.0933 1.2E3 175.1329 3.5E3 185.1640 1.9E3 199.1803 7.3E3 201.1233 2.3E3 213.1595 2.4E3 215.1023 1.9E3 227.1751 3.5E4 228.1785 1.7E3 229.1183 5.6E3 231.1705 1.3E3 233.1741 2.1E3 235.1801 1.8E4 240.2317 1.8E3 245.1855 3.9E3 281.2217 2.8E3 298.2484 2.2E3 326.2432 2.5E4 328.1859 2.7E4 329.1901 1.2E3 332.1965 2.3E3 338.2069 1.3E3 342.2018 3.7E3 342.2632 1.7E3 344.2539 5.4E3 346.1965 1.5E3 350.2067 2.2E4 351.2101 1.2E3 352.2476 5.0E3 370.2580 6.5E4 371.2622 3.3E3 395.2645 6.9E3 413.2751 8.8E3 423.2594 8.9E3 431.2642 6.1E3 437.2753 1.6E3 441.2700 2.1E5 442.2737 1.4E4 447.3209 1.3E3 449.2750 2.3E4 450.2777 1.3E3 455.2853 7.8E3 455.3459 1.8E3 459.2805 1.7E3 465.3312 1.4E4 466.3346 1.0E3 469.3264 2.1E3 483.3421 2.4E5 484.3452 1.9E4 508.3489 6.2E3 509.3326 1.2E3 526.3591 1.3E4 527.3621 1.0E3 536.3428 6.1E3 544.3478 4.0E3 552.3020 1.2E3 554.3538 5.3E4 555.3559 5.8E3 560.4050 2.5E3 562.3586 2.1E4 563.3618 2.0E3 564.3989 1.8E3 568.4311 6.4E3 572.3638 8.3E3 578.4153 2.4E4 579.4191 2.3E3 582.4093 1.5E3 596.4258 3.0E5 597.4289 3.4E4 598.3673 1.5E3 657.4321 2.7E4 658.4344 3.5E3 659.4741 1.1E3 665.4461 2.9E3 667.4990 5.1E3 675.4429 2.6E5 676.4457 3.8E4 677.4842 1.5E4 678.4857 1.7E3 695.4940 1.4E5 696.4976 1.8E4 706.4023 1.1E3 764.5159 6.0E3 774.4987 1.0E3 792.5103 1.6E4 793.5146 2.3E3 810.5206 1.1E4 811.5230 1.8E3 895.6076 1.0E3 905.5934 4.6E3 906.5966 1.3E3 923.6049 2.1E4 924.6078 3.3E3 1026.6818 3.1E3 1043.6428 2.5E4 1044.6531 1.7E4 1045.6509 1.4E3 END IONS BEGIN IONS FEATURE_ID=436 PEPMASS=1048.6909 SCANS=436 RTINSECONDS=2174.631 CHARGE=1+ MSLEVEL=2 86.0969 1.5E3 89.0602 1.7E3 91.5081 1.5E3 115.0755 1.4E3 117.0913 3.6E3 133.0861 1.4E3 175.1329 1.6E3 177.1122 1.0E3 227.1759 1.9E3 233.1749 1.0E3 364.2484 1.8E3 382.2592 1.1E3 395.2649 1.3E3 423.2597 1.3E3 441.2704 8.5E3 455.2862 1.1E3 459.2814 1.6E3 477.3326 1.9E3 495.3426 3.9E3 508.3483 1.5E3 536.3448 1.2E3 554.3541 3.3E3 590.4144 3.3E3 608.4261 6.8E3 610.3708 1.2E3 667.4374 3.8E3 685.4485 3.3E4 686.4509 3.5E3 689.4844 2.0E3 707.4953 4.0E3 723.4540 2.9E3 804.5124 1.4E3 820.5772 2.0E3 822.5233 2.0E3 836.5349 1.5E3 889.6000 1.3E3 917.5953 1.2E3 935.6050 4.8E3 936.6100 1.3E3 949.6234 1.4E3 1020.6958 3.7E3 1030.6799 6.2E3 1048.6903 2.0E4 1049.6917 5.4E3 END IONS BEGIN IONS FEATURE_ID=437 PEPMASS=1050.6699 SCANS=437 RTINSECONDS=1736.163 CHARGE=1+ MSLEVEL=2 86.0967 2.2E3 91.5061 1.6E3 227.1752 3.6E3 229.1181 2.1E3 245.1855 2.0E3 326.2426 2.8E3 328.1863 3.0E3 342.2016 1.8E3 360.2128 3.0E3 366.2271 9.9E3 384.2375 4.3E3 385.3052 1.8E3 395.2641 2.2E3 423.2596 3.3E3 441.2701 2.0E4 442.2733 1.8E3 455.2857 2.8E3 459.2807 4.7E3 461.3001 3.5E3 479.3111 8.3E3 480.3144 1.0E3 497.3215 1.3E4 498.3243 1.0E3 508.3486 2.7E3 515.3317 3.5E3 526.3599 2.7E3 536.3440 4.0E3 554.3542 1.1E4 555.3573 1.1E3 568.3702 2.3E3 572.3643 5.0E3 574.3840 3.0E3 582.4109 1.2E3 586.3807 2.4E3 592.3948 9.7E3 610.4054 2.3E4 611.4081 2.7E3 612.3494 1.4E3 639.4431 1.4E3 649.4272 1.3E3 667.4378 1.2E4 668.4418 2.0E3 673.4542 2.2E3 685.4487 1.3E5 686.4516 1.7E4 691.4634 7.0E3 692.4664 1.3E3 697.4379 1.0E3 707.4210 3.1E3 709.4737 1.5E4 710.4780 1.8E3 723.4892 2.9E3 725.4315 7.9E3 784.3976 1.2E3 804.5478 2.0E3 806.4899 5.5E3 820.5059 2.4E3 822.5577 7.6E3 824.5011 6.1E3 838.5159 2.6E3 891.5786 4.5E3 892.5676 1.9E3 901.5654 1.6E3 919.5744 9.2E3 920.5791 1.4E3 933.5911 2.4E3 935.6440 1.1E3 937.5847 1.4E4 938.5867 2.5E3 951.6008 6.0E3 952.6045 1.3E3 1004.6633 1.5E3 1005.6486 2.3E3 1014.6470 2.0E3 1022.6743 1.0E4 1023.6769 2.4E3 1032.6587 2.3E4 1033.6611 4.5E3 1050.6691 1.1E5 1051.6719 2.6E4 END IONS BEGIN IONS FEATURE_ID=438 PEPMASS=1050.6699 SCANS=438 RTINSECONDS=1877.679 CHARGE=1 MSLEVEL=2 86.0965 3.5E3 117.0910 1.3E3 199.1803 1.0E3 227.1751 6.2E3 229.1181 2.4E3 245.1855 2.4E3 326.2433 4.8E3 328.1865 3.9E3 342.2017 2.8E3 360.2129 5.8E3 366.2271 1.4E4 384.2379 1.5E3 395.2643 2.9E3 413.2757 1.1E3 423.2596 3.5E3 433.3050 1.4E3 441.2703 2.7E4 442.2734 2.5E3 455.2854 3.7E3 459.2808 6.0E3 461.2999 4.2E3 465.2955 1.4E3 473.2964 1.2E3 479.3110 2.2E4 480.3148 2.2E3 481.2539 1.4E3 497.3221 6.4E3 508.3481 4.1E3 509.3337 1.3E3 515.3318 2.4E3 526.3588 3.4E3 536.3431 3.7E3 554.3540 1.4E4 555.3589 1.6E3 564.3995 1.6E3 568.3704 1.9E3 572.3642 7.4E3 574.3845 5.3E3 578.3783 2.8E3 582.4089 1.3E3 586.3804 3.9E3 592.3946 2.7E4 593.3969 2.5E3 594.3385 1.8E3 610.4053 1.8E4 611.4096 1.3E3 649.4273 1.1E3 667.4378 1.4E4 668.4413 1.4E3 673.4533 4.1E3 685.4486 1.6E5 686.4515 2.0E4 691.4634 1.7E4 692.4657 2.3E3 693.4053 1.4E3 699.4650 1.1E3 707.4221 4.2E3 709.4739 8.7E3 710.4760 1.1E3 723.4888 3.0E3 725.4324 7.8E3 726.4340 1.5E3 779.4781 2.1E3 788.4796 2.3E3 792.5109 1.2E3 804.5472 2.1E3 806.4908 1.1E4 820.5057 2.7E3 822.5574 6.1E3 824.5012 2.6E3 838.5175 4.4E3 873.5670 1.2E3 891.5799 4.8E3 892.5605 2.7E3 901.5640 1.9E3 909.5901 1.1E3 919.5745 1.3E4 920.5777 2.0E3 933.5881 2.1E3 935.6422 1.3E3 937.5848 1.5E4 938.5886 2.9E3 951.6006 5.8E3 1004.6631 1.4E3 1005.6447 3.0E3 1014.6450 2.4E3 1022.6738 1.3E4 1023.6783 2.8E3 1031.6072 1.0E3 1032.6581 2.9E4 1033.6621 6.2E3 1049.6132 1.3E3 1050.6687 1.2E5 1051.6721 2.5E4 END IONS BEGIN IONS FEATURE_ID=439 PEPMASS=1050.6678 SCANS=439 RTINSECONDS=2044.051 CHARGE=1 MSLEVEL=2 86.0953 1.5E3 86.0971 1.3E4 87.0447 2.8E3 89.0604 3.1E3 99.0809 1.1E3 115.0755 3.4E3 117.0915 1.0E4 133.0859 3.2E3 146.0943 1.0E3 157.1227 1.5E3 175.1327 5.3E3 177.1123 2.1E3 190.1204 1.1E3 199.1811 1.7E3 201.1234 2.7E3 227.1750 7.2E3 229.1181 5.0E3 233.1745 4.1E3 245.1856 9.3E3 296.1975 1.2E3 326.2429 5.1E3 328.1860 8.0E3 342.2017 5.5E3 348.2163 3.2E3 352.2485 1.5E3 360.2124 9.1E3 366.2269 4.4E3 384.2376 2.9E3 395.2647 3.0E3 409.2805 1.0E3 413.2751 2.6E3 423.2597 4.1E3 441.2701 3.7E4 442.2725 3.0E3 451.3159 3.3E3 455.2860 6.5E3 459.2808 1.2E4 461.3010 1.8E3 465.3310 1.1E3 473.2975 2.4E3 479.3109 3.8E4 480.3144 2.6E3 483.3434 1.6E3 497.3214 1.3E4 508.3483 3.4E3 526.3586 3.4E3 527.3435 1.1E3 536.3437 5.2E3 552.3021 1.3E3 554.3539 1.5E4 555.3578 1.8E3 564.4000 7.1E3 566.3425 1.9E3 568.3334 1.2E3 568.3696 3.6E3 572.3644 1.1E4 574.3834 3.3E3 578.3781 2.1E3 578.4165 1.2E3 586.3798 3.6E3 592.3948 6.2E4 593.3978 8.1E3 594.3377 2.3E3 596.4259 3.4E3 610.4052 2.1E4 611.4086 2.1E3 639.4433 1.1E3 649.4272 1.3E3 667.4380 1.4E4 668.4400 1.5E3 673.4515 2.9E3 685.4484 1.5E5 686.4519 1.6E4 691.4629 4.1E4 692.4662 5.7E3 695.4954 2.1E3 699.4276 3.1E3 699.4636 7.4E3 700.4657 1.2E3 705.4789 1.6E3 707.4217 2.8E3 709.4737 1.4E4 709.5082 1.0E3 710.4766 2.2E3 723.4889 2.0E3 725.4321 4.1E3 779.4802 2.2E3 804.5457 1.3E3 806.4896 8.8E3 807.4910 1.2E3 820.5035 1.6E3 822.5582 4.0E3 824.5001 4.0E3 838.5155 2.8E3 891.5782 3.3E3 892.5598 2.4E3 895.5732 1.0E3 901.5615 1.5E3 919.5729 9.5E3 920.5739 1.8E3 923.6050 1.0E3 933.5861 2.3E3 937.5830 1.1E4 937.6206 1.0E3 938.5864 1.7E3 951.6005 4.0E3 1004.6663 2.1E3 1005.6453 2.9E3 1008.6591 4.8E3 1014.6423 1.5E3 1022.6712 9.6E3 1023.6732 1.5E3 1032.6559 1.7E4 1033.6583 4.6E3 1049.6163 5.4E3 1049.6798 1.8E3 1050.6660 6.3E4 1051.6702 1.7E4 END IONS BEGIN IONS FEATURE_ID=440 PEPMASS=1050.7073 SCANS=440 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 86.0965 1.5E4 183.1120 1.5E3 199.1806 4.1E3 201.1229 2.6E3 209.7587 1.1E3 213.1593 1.6E3 227.1751 1.8E4 229.1180 8.4E3 243.1338 1.2E3 245.1856 9.8E3 283.1646 1.2E3 296.1966 1.5E3 311.1956 1.6E3 326.2432 8.9E3 328.1860 1.1E4 340.2587 1.9E3 342.2015 1.1E4 352.2471 1.7E3 360.2122 1.3E4 366.2633 1.7E4 370.2578 1.0E3 384.2736 1.0E4 385.3410 2.3E3 395.2647 8.2E3 396.2493 1.1E3 409.2806 3.3E3 413.2754 2.4E3 414.2584 1.4E3 423.2592 1.1E4 428.2746 1.1E3 437.2758 3.3E3 441.2700 6.4E4 442.2737 4.1E3 451.3524 1.3E3 455.2856 1.9E4 457.3367 2.2E3 459.2802 1.1E4 461.3366 2.8E3 465.3313 2.8E3 469.3630 1.2E3 471.3526 2.3E3 473.2961 3.6E3 479.3469 2.3E4 480.3498 2.1E3 483.3419 4.0E3 497.3576 3.3E4 498.3608 3.3E3 499.2999 2.1E3 507.2805 1.0E3 508.3485 1.0E4 509.3329 1.6E3 515.3683 3.4E3 522.3630 1.9E3 525.2912 1.6E3 526.3592 7.5E3 527.3439 1.2E3 527.3635 1.5E3 536.3430 1.0E4 550.3594 2.1E3 552.3018 1.4E3 554.3538 3.4E4 555.3562 2.7E3 560.4053 2.3E3 564.4371 1.7E3 565.4199 1.0E3 566.3169 1.0E3 566.3792 1.8E3 568.3690 9.0E3 570.4214 1.6E3 572.3641 1.4E4 574.4202 8.3E3 578.4166 5.7E3 582.4463 5.1E3 586.3801 1.2E4 587.3843 1.1E3 592.4308 2.3E4 593.4329 3.1E3 594.3740 2.0E3 596.4261 1.1E4 598.3690 1.4E3 610.4413 6.2E4 611.4448 6.4E3 612.3837 6.5E3 613.4529 1.5E3 621.4317 1.9E3 622.4161 1.3E3 639.4438 3.0E3 649.4272 2.7E3 665.3846 1.3E3 665.4486 1.1E3 667.4380 2.8E4 668.4402 4.2E3 673.4888 6.4E3 679.4628 3.4E3 681.4532 2.9E3 685.4483 2.9E5 686.4514 3.2E4 691.4995 1.7E4 692.5019 1.8E3 693.4422 4.4E3 695.5302 2.0E3 697.4736 3.0E3 699.4636 3.9E4 700.4672 5.5E3 705.5137 1.5E3 707.4580 8.2E3 708.4618 1.5E3 709.5097 4.6E4 710.5132 6.2E3 711.4534 4.6E3 723.5256 5.0E3 725.4683 2.0E4 726.4701 3.3E3 733.5112 1.4E3 751.5208 1.4E3 760.5217 1.2E3 778.5310 2.6E3 779.5143 7.0E3 788.5156 4.3E3 791.5900 1.0E3 792.5474 3.3E3 794.5982 2.8E3 796.5398 1.7E3 802.5294 1.1E3 804.5837 3.1E3 806.5258 1.6E4 807.5290 2.0E3 810.5586 1.0E3 820.5416 4.6E3 821.5465 1.0E3 822.5938 2.1E4 823.5985 3.2E3 824.5367 1.9E4 825.5398 2.8E3 836.6090 2.3E3 838.5527 9.6E3 839.5558 1.2E3 873.6036 2.1E3 890.6561 2.0E3 891.6148 1.3E4 892.5988 5.9E3 893.6025 1.6E3 901.5990 2.9E3 902.6002 1.0E3 909.6232 2.9E3 917.6649 1.2E3 919.6098 2.4E4 920.6143 5.3E3 923.6415 1.3E3 933.6264 4.3E3 935.6769 3.1E3 937.6205 4.9E4 938.6238 8.4E3 951.6359 1.3E4 952.6395 2.2E3 1004.6978 4.9E3 1005.6835 7.5E3 1014.6841 4.1E3 1018.6772 1.2E3 1022.7099 3.3E4 1023.7133 5.4E3 1032.6943 5.2E4 1033.6970 9.8E3 1050.7048 2.4E5 1051.7079 5.5E4 END IONS BEGIN IONS FEATURE_ID=441 PEPMASS=1050.7062 SCANS=441 RTINSECONDS=2455.702 CHARGE=1+ MSLEVEL=2 91.5081 1.1E3 342.2024 1.3E3 366.2636 1.4E3 441.2700 4.9E3 455.2863 1.6E3 459.2813 1.1E3 479.3480 1.7E3 497.3579 2.4E3 526.3593 1.0E3 554.3549 2.4E3 586.3810 1.2E3 592.4324 1.3E3 596.4276 1.1E3 610.4416 4.8E3 667.4383 2.0E3 685.4485 1.9E4 686.4525 2.3E3 691.4998 1.8E3 699.4649 4.3E3 709.5102 4.0E3 725.4691 1.2E3 806.5280 1.5E3 822.5945 1.8E3 824.5379 1.1E3 919.6107 1.6E3 937.6206 3.5E3 1022.7087 2.1E3 1032.6948 3.9E3 1033.6962 1.3E3 1050.7053 1.9E4 1051.7079 3.9E3 END IONS BEGIN IONS FEATURE_ID=442 PEPMASS=1052.5446 SCANS=442 RTINSECONDS=1310.395 CHARGE=1+ MSLEVEL=2 86.0968 1.4E4 120.0806 1.1E4 221.1282 2.4E3 231.1127 4.6E3 249.1228 6.7E3 261.1594 2.9E3 275.1749 1.4E3 303.1700 7.3E4 304.1734 2.8E3 330.1806 8.2E3 332.1602 7.0E3 337.1860 1.5E3 344.1966 1.7E4 355.1973 3.9E3 362.2066 1.1E4 368.1965 1.6E3 378.1806 4.2E3 383.1917 1.9E3 396.1913 1.6E3 401.2176 5.9E3 403.1967 1.3E3 403.2331 1.4E3 413.2179 3.4E3 419.2281 3.1E3 422.2437 6.9E3 427.2330 1.2E3 431.2281 1.4E4 433.2070 1.5E3 450.2380 7.3E4 451.2414 6.2E3 457.2437 1.4E3 461.2185 1.4E3 463.2688 1.3E3 474.2711 2.9E3 479.2284 1.2E4 480.2312 1.1E3 481.2805 2.4E3 484.2546 5.3E3 491.2642 3.5E3 502.2654 2.9E4 503.2692 1.9E3 505.2803 2.2E3 507.2596 8.0E3 509.2750 2.1E3 514.2657 1.1E3 523.2900 3.8E3 526.3014 1.1E3 533.2751 6.4E4 534.2781 6.7E3 551.2856 4.7E4 552.2893 4.4E3 560.2855 1.7E3 563.2496 1.5E3 574.3016 4.0E3 578.2962 4.2E3 585.3024 7.0E3 592.3121 1.5E4 593.3153 1.6E3 596.3060 1.0E3 603.3126 3.7E4 604.3158 4.5E3 615.3484 1.4E3 631.3228 1.9E3 649.3331 8.3E3 652.3488 2.6E3 654.3281 3.4E3 663.3845 1.4E3 673.3703 3.0E3 680.3434 4.7E4 681.3466 6.9E3 691.3803 5.2E3 698.3544 6.9E3 732.3707 9.6E3 744.4066 2.9E3 750.3810 6.3E4 751.3845 8.8E3 762.4172 9.3E3 763.3804 4.8E3 763.4199 1.5E3 781.3905 1.4E4 782.3936 2.0E3 799.4017 2.0E3 835.4697 1.6E3 845.4545 1.1E4 846.4310 2.5E3 852.4630 2.5E3 862.4493 3.7E3 863.4651 1.1E5 864.4681 1.8E4 880.4592 1.9E4 881.4638 2.9E3 882.4380 3.1E3 933.4840 1.5E3 951.4959 1.2E4 952.4999 2.6E3 953.4764 1.4E3 1034.5331 1.1E4 1035.5339 2.3E3 1052.5414 3.0E3 END IONS BEGIN IONS FEATURE_ID=443 PEPMASS=1052.6851 SCANS=443 RTINSECONDS=1701.167 CHARGE=1+ MSLEVEL=2 86.0966 5.7E3 86.0981 1.2E3 86.5649 1.1E3 199.1802 3.0E3 201.1229 1.3E3 208.3197 1.8E3 227.1753 7.2E3 229.1180 3.3E3 245.1857 5.3E3 326.2433 7.2E3 328.1858 6.8E3 342.2016 4.7E3 350.2324 8.3E3 360.2123 7.1E3 368.2425 5.9E3 395.2652 3.0E3 413.2750 2.0E3 414.2600 1.6E3 423.2594 7.1E3 437.2755 1.4E3 441.2701 4.2E4 442.2728 1.4E3 445.3049 2.1E3 455.2855 5.0E3 457.3367 1.3E3 459.2805 8.7E3 463.3160 1.2E4 464.3195 1.1E3 473.2968 1.3E3 481.3264 1.6E4 482.3304 1.4E3 483.2690 1.0E3 487.2508 1.5E3 499.3365 7.4E3 508.3486 7.5E3 509.3322 1.3E3 526.3591 5.0E3 530.3936 1.3E3 536.3431 1.0E4 552.3017 2.1E3 554.3540 2.7E4 555.3573 2.6E3 558.3889 6.1E3 566.4153 3.6E3 568.3699 2.8E3 570.4205 1.2E3 572.3640 1.2E4 576.3996 2.1E4 577.4030 2.3E3 578.3412 1.0E3 586.3798 4.9E3 594.4103 5.2E4 595.4128 4.3E3 596.3537 4.8E3 612.4211 2.8E3 621.4330 1.4E3 639.4431 2.8E3 649.4277 4.5E3 657.4579 5.0E3 663.4320 3.1E3 667.4379 2.9E4 668.4410 3.6E3 675.4682 1.9E4 676.4714 3.3E3 679.4975 1.5E3 681.4431 1.9E3 685.4484 3.6E5 686.4515 4.0E4 689.4846 1.4E3 691.4271 6.8E3 693.4786 4.4E4 694.4826 4.9E3 695.4229 1.8E3 707.4941 4.7E3 709.4374 1.9E4 710.4404 2.7E3 711.4884 2.9E3 727.4449 1.1E3 762.5001 2.4E3 763.4835 3.9E3 772.4863 3.3E3 776.5143 2.0E3 778.5667 1.1E3 788.5538 3.1E3 790.4955 1.3E4 791.4996 2.3E3 804.5096 4.8E3 806.5626 1.5E4 807.5654 2.3E3 808.5060 1.9E4 809.5090 2.3E3 820.5783 1.7E3 822.5212 9.0E3 824.5718 1.2E3 857.5743 2.5E3 858.5569 1.1E3 875.5847 1.0E4 876.5703 3.8E3 885.5687 3.8E3 893.5939 2.3E3 903.5794 2.8E4 904.5831 4.3E3 907.6106 1.9E3 917.5944 2.8E3 919.6462 3.6E3 921.5896 4.8E4 922.5923 7.9E3 935.6063 1.3E4 936.6100 1.7E3 939.6001 4.3E3 953.6172 1.5E3 988.6681 5.4E3 989.6529 6.2E3 990.6581 1.4E3 998.6520 4.8E3 999.6551 1.3E3 1006.6787 2.8E4 1007.6824 5.2E3 1016.6633 6.9E4 1017.6667 1.5E4 1024.6887 1.9E3 1034.6737 3.8E5 1035.6770 8.3E4 1051.5789 1.4E3 1052.5839 1.6E3 1052.6843 3.7E4 1053.6877 6.7E3 END IONS BEGIN IONS FEATURE_ID=444 PEPMASS=1052.6852 SCANS=444 RTINSECONDS=2046.024 CHARGE=1 MSLEVEL=2 84.0443 2.1E3 84.0809 2.7E3 86.0965 2.1E4 87.0442 1.3E3 89.0598 1.5E3 117.0907 5.8E3 130.0496 1.7E3 175.1327 2.5E3 199.1799 2.2E3 201.1226 2.2E3 225.1590 2.3E3 227.1751 6.9E3 229.1182 6.4E3 233.1748 1.2E3 243.1704 3.1E3 245.1856 9.7E3 297.1795 1.3E3 311.1959 1.5E3 324.2162 2.4E3 324.2274 1.8E3 324.2525 1.2E3 325.2111 3.2E3 326.1698 1.3E3 326.2434 5.2E3 328.1859 8.0E3 342.2018 7.7E3 342.2269 1.1E3 342.2381 5.2E3 343.2696 2.1E3 352.2475 2.6E4 353.2511 1.6E3 360.2119 1.3E4 370.2579 5.8E3 371.3259 1.7E3 393.2491 1.4E3 394.2338 1.0E3 395.2646 2.8E3 412.2433 3.9E3 413.2748 1.6E3 423.2590 4.4E3 437.3001 5.8E3 439.2540 1.2E4 440.2383 2.8E4 441.2420 1.8E3 441.2698 3.1E4 442.2728 2.6E3 455.2862 4.3E3 455.3107 8.4E3 455.3470 1.7E4 456.2873 1.1E3 456.3513 1.2E3 457.2648 9.9E3 457.3365 1.0E3 459.2800 1.2E4 460.2831 1.8E3 463.3163 1.1E3 465.3316 6.2E3 473.2951 2.8E3 473.3198 2.5E3 479.3100 1.8E3 480.3134 2.6E3 481.3284 1.0E3 483.3418 2.5E4 484.3456 3.0E3 485.2836 1.9E3 499.3356 1.1E3 500.3680 2.7E3 501.3522 1.5E3 507.3174 3.2E3 508.3481 4.8E3 524.3428 1.7E3 525.3270 5.2E3 526.3583 3.3E3 532.3732 3.5E3 534.3275 1.6E3 535.3115 1.8E3 536.3434 6.7E3 540.3997 1.8E3 550.3840 1.2E4 552.3383 8.7E3 553.3218 1.8E4 553.3433 1.2E3 554.3260 1.6E3 554.3536 1.7E4 558.3895 1.1E3 568.3693 2.3E3 568.3942 2.9E4 568.4279 5.6E3 570.3483 4.8E3 570.3731 1.1E3 571.3318 1.2E3 572.3640 9.4E3 576.3990 4.0E3 578.4155 1.5E3 580.3585 1.5E3 582.4108 1.8E3 584.3655 1.2E3 586.3798 3.2E3 588.3589 1.6E3 592.3926 2.5E3 593.3980 4.4E3 594.4102 7.5E3 596.4254 1.5E4 597.4290 3.0E3 598.3688 5.3E3 612.4197 4.3E3 613.4509 2.8E3 620.4015 1.0E3 631.4420 4.1E3 638.4350 1.0E3 639.4427 2.0E3 648.3971 1.1E3 649.4244 1.4E3 649.4515 1.1E4 653.4486 1.1E3 665.4195 7.4E3 665.4479 2.0E3 666.4048 1.4E3 666.4305 6.3E3 667.4368 1.7E4 667.4630 2.4E4 668.4404 1.4E3 671.4326 1.4E3 675.4680 4.3E3 679.4246 1.4E3 681.4791 3.2E3 683.4327 4.4E4 683.4596 3.5E3 684.4366 3.9E3 684.4625 1.0E3 685.4480 2.2E5 686.4518 9.9E3 687.4535 3.3E3 691.4623 1.7E3 692.4661 2.8E3 693.4420 3.7E3 693.4772 7.5E3 697.4364 2.9E3 699.4633 7.6E3 700.4673 3.4E3 701.4428 6.3E4 702.4459 6.9E3 707.4934 1.2E3 709.5098 2.0E3 710.4211 1.5E3 711.4521 1.8E4 711.4888 6.5E3 712.4553 3.0E3 725.5042 3.8E3 737.4697 1.8E3 746.4683 1.4E3 750.5017 1.0E3 762.5347 1.7E3 764.4786 7.9E3 765.4983 1.1E3 778.4948 2.1E3 779.5139 5.8E3 780.5460 8.2E3 782.4900 1.1E4 782.5266 1.2E3 790.4954 3.4E3 792.5092 1.2E3 794.5615 1.3E3 796.5062 3.4E3 806.5242 1.2E3 806.5622 2.4E3 808.5048 4.2E3 809.5100 1.0E3 810.5201 6.3E3 811.5226 1.0E3 822.5198 1.1E3 823.5054 1.2E3 824.5361 5.9E3 824.5730 4.4E3 825.5364 1.4E3 832.5423 1.1E3 838.5875 3.1E3 840.5312 1.4E3 849.5685 8.4E3 850.5513 2.1E3 859.5529 3.0E3 867.5766 1.1E3 875.5822 2.0E3 877.5633 1.9E4 891.5787 2.1E3 892.5977 4.1E3 893.6328 1.6E3 895.5735 3.2E4 903.5790 4.1E3 907.6091 1.3E3 909.5885 8.3E3 921.5883 1.1E4 922.5721 3.7E3 923.6068 3.8E3 935.6046 4.7E3 936.5971 1.1E3 937.6566 1.9E3 938.5840 1.1E3 939.5965 5.3E3 953.6162 4.1E3 954.6183 1.2E3 962.6521 2.7E3 963.6349 2.8E3 972.6362 2.9E3 980.6624 2.1E4 990.6469 5.1E4 1006.6802 7.4E3 1008.6573 2.9E5 1009.6607 1.8E3 1016.6625 1.5E4 1017.6663 3.7E3 1024.6859 4.5E3 1033.6582 2.4E3 1034.6726 1.2E5 1035.6769 2.7E4 1051.6626 4.7E3 1051.7133 2.0E3 1052.6248 4.7E3 1052.6827 1.3E5 1053.6865 2.8E4 END IONS BEGIN IONS FEATURE_ID=445 PEPMASS=1052.6862 SCANS=445 RTINSECONDS=2106.378 CHARGE=1 MSLEVEL=2 86.0966 2.9E3 87.0442 1.4E3 89.0598 1.9E3 91.5081 1.2E3 117.0909 5.8E3 133.0857 2.3E3 175.1328 3.6E3 201.1227 1.4E3 208.1332 2.8E3 225.1594 1.4E3 227.1753 2.1E3 229.1180 2.6E3 233.1743 2.0E3 245.1855 2.3E3 324.2279 1.8E3 328.1862 3.3E3 342.2021 3.0E3 342.2382 4.6E3 352.2476 4.7E3 360.2121 6.3E3 370.2582 3.1E3 383.1918 1.4E3 413.2388 1.7E3 421.2438 1.9E3 422.2278 4.2E3 439.2546 1.2E4 441.2699 4.4E3 455.2848 1.0E3 455.3474 1.2E3 457.2645 5.8E3 459.2808 3.5E3 463.3160 2.5E3 465.3319 1.5E3 481.3272 3.0E3 483.3423 5.6E3 485.2843 1.6E3 496.2755 1.5E3 501.3521 2.2E3 524.3437 2.0E3 526.3232 1.3E3 534.3276 1.6E3 535.3115 3.4E3 552.3392 7.9E3 554.3548 2.1E3 558.3900 1.4E3 568.3961 1.7E3 568.4318 1.6E3 570.3491 3.2E3 572.3643 5.2E3 576.4005 2.9E3 578.4166 1.4E3 580.3583 1.3E3 594.4099 6.4E3 596.4268 8.1E3 598.3694 3.1E3 612.4209 3.1E3 639.4067 1.6E3 649.4530 1.1E3 657.4171 1.9E4 657.4601 1.0E3 665.4223 7.4E3 666.4074 1.4E3 667.4374 1.1E3 667.4634 2.3E3 668.4403 1.0E3 675.4687 3.3E3 683.4330 6.6E4 684.4365 9.8E3 685.4488 8.9E3 693.4426 3.0E3 693.4783 6.9E3 699.4632 1.8E3 701.3915 1.1E3 701.4434 4.0E4 702.4465 5.3E3 711.4525 1.5E4 712.4565 1.9E3 765.4990 2.1E3 772.4848 1.0E3 780.5471 1.8E3 782.4894 1.3E3 790.4945 3.3E3 792.5091 1.3E3 806.5630 2.6E3 808.5064 2.8E3 810.5214 3.4E3 822.5208 1.2E3 824.5362 1.2E3 824.5730 2.6E3 826.5156 1.5E3 840.5312 1.2E3 849.5693 1.7E3 875.5845 1.4E3 877.5630 3.1E3 895.5734 3.8E3 903.5797 3.5E3 921.5896 1.2E4 922.5887 2.2E3 923.6046 3.8E3 935.6035 3.2E3 937.6207 1.1E3 939.5991 3.3E3 980.6639 2.0E3 988.6641 1.3E3 990.6472 7.7E3 1006.6755 7.0E3 1006.7159 1.0E3 1007.6782 1.3E3 1007.7200 1.5E3 1008.6583 3.8E4 1016.6628 1.4E4 1017.6688 4.0E3 1022.6714 2.2E3 1024.6885 1.8E3 1034.6738 1.4E5 1035.6772 2.9E4 1051.6748 1.1E3 1052.6842 5.3E4 1053.6866 1.1E4 END IONS BEGIN IONS FEATURE_ID=446 PEPMASS=1052.6801 SCANS=446 RTINSECONDS=2118.125 CHARGE=1 MSLEVEL=2 86.0966 2.9E3 87.0442 1.4E3 89.0598 1.9E3 91.5081 1.2E3 117.0909 5.8E3 133.0857 2.3E3 175.1328 3.6E3 201.1227 1.4E3 208.1332 2.8E3 225.1594 1.4E3 227.1753 2.1E3 229.1180 2.6E3 233.1743 2.0E3 245.1855 2.3E3 324.2279 1.8E3 328.1862 3.3E3 342.2021 3.0E3 342.2382 4.6E3 352.2476 4.7E3 360.2121 6.3E3 370.2582 3.1E3 383.1918 1.4E3 413.2388 1.7E3 421.2438 1.9E3 422.2278 4.2E3 439.2546 1.2E4 441.2699 4.4E3 455.2848 1.0E3 455.3474 1.2E3 457.2645 5.8E3 459.2808 3.5E3 463.3160 2.5E3 465.3319 1.5E3 481.3272 3.0E3 483.3423 5.6E3 485.2843 1.6E3 496.2755 1.5E3 501.3521 2.2E3 524.3437 2.0E3 526.3232 1.3E3 534.3276 1.6E3 535.3115 3.4E3 552.3392 7.9E3 554.3548 2.1E3 558.3900 1.4E3 568.3961 1.7E3 568.4318 1.6E3 570.3491 3.2E3 572.3643 5.2E3 576.4005 2.9E3 578.4166 1.4E3 580.3583 1.3E3 594.4099 6.4E3 596.4268 8.1E3 598.3694 3.1E3 612.4209 3.1E3 639.4067 1.6E3 649.4530 1.1E3 657.4171 1.9E4 657.4601 1.0E3 665.4223 7.4E3 666.4074 1.4E3 667.4374 1.1E3 667.4634 2.3E3 668.4403 1.0E3 675.4687 3.3E3 683.4330 6.6E4 684.4365 9.8E3 685.4488 8.9E3 693.4426 3.0E3 693.4783 6.9E3 699.4632 1.8E3 701.3915 1.1E3 701.4434 4.0E4 702.4465 5.3E3 711.4525 1.5E4 712.4565 1.9E3 765.4990 2.1E3 772.4848 1.0E3 780.5471 1.8E3 782.4894 1.3E3 790.4945 3.3E3 792.5091 1.3E3 806.5630 2.6E3 808.5064 2.8E3 810.5214 3.4E3 822.5208 1.2E3 824.5362 1.2E3 824.5730 2.6E3 826.5156 1.5E3 840.5312 1.2E3 849.5693 1.7E3 875.5845 1.4E3 877.5630 3.1E3 895.5734 3.8E3 903.5797 3.5E3 921.5896 1.2E4 922.5887 2.2E3 923.6046 3.8E3 935.6035 3.2E3 937.6207 1.1E3 939.5991 3.3E3 980.6639 2.0E3 988.6641 1.3E3 990.6472 7.7E3 1006.6755 7.0E3 1006.7159 1.0E3 1007.6782 1.3E3 1007.7200 1.5E3 1008.6583 3.8E4 1016.6628 1.4E4 1017.6688 4.0E3 1022.6714 2.2E3 1024.6885 1.8E3 1034.6738 1.4E5 1035.6772 2.9E4 1051.6748 1.1E3 1052.6842 5.3E4 1053.6866 1.1E4 END IONS BEGIN IONS FEATURE_ID=447 PEPMASS=1052.6849 SCANS=447 RTINSECONDS=2132.129 CHARGE=1 MSLEVEL=2 85.0766 1.0E3 86.0968 3.8E3 87.0444 1.5E3 89.0601 2.1E3 115.0755 2.2E3 117.0910 4.5E3 133.0858 1.9E3 175.1327 2.3E3 199.1804 1.5E3 227.1752 3.0E3 229.1183 3.1E3 233.1745 2.1E3 245.1855 2.1E3 328.1866 1.6E3 342.2018 3.3E3 352.2484 1.6E3 355.1857 8.1E3 360.2124 2.7E3 369.2015 1.4E3 371.3261 8.4E3 439.2550 1.9E3 441.2702 4.7E3 454.2544 1.2E4 455.2850 1.2E3 457.2649 4.8E3 463.3158 1.4E3 465.3316 1.6E3 475.2757 1.1E3 481.3274 2.1E3 483.3426 3.1E3 484.4100 3.7E3 552.3385 1.6E3 554.3542 2.8E3 569.2806 5.8E3 570.3491 1.8E3 572.3649 1.7E3 576.4001 1.7E3 594.4098 2.5E3 596.4260 4.3E3 599.4372 8.0E3 643.4009 1.4E3 654.3707 1.2E3 667.4373 1.9E3 667.4641 1.3E3 668.4409 1.7E3 669.4428 1.7E3 675.4687 1.6E3 681.4792 1.3E3 682.3645 2.5E3 683.4330 5.5E3 685.4486 1.8E4 686.4510 1.5E3 693.4778 2.6E3 698.5039 1.2E3 699.4642 1.3E3 700.4681 2.3E3 701.4433 2.2E4 702.4459 2.6E3 711.4528 2.8E3 711.4880 1.9E3 790.4931 1.2E3 806.5614 2.0E3 808.5057 1.9E3 824.5368 1.1E3 903.5787 1.8E3 921.5897 4.2E3 922.5898 1.1E3 938.6205 1.1E3 939.5995 3.5E3 976.6289 1.6E3 980.6634 1.1E3 990.6469 1.6E3 994.6417 1.6E3 1004.6635 1.1E3 1006.6690 1.9E3 1008.6564 1.1E4 1016.6621 3.7E3 1022.6733 6.5E3 1024.6871 3.4E3 1034.6733 2.8E4 1035.6777 6.9E3 1051.7098 2.8E3 1052.6826 2.5E4 1053.6882 4.6E3 END IONS BEGIN IONS FEATURE_ID=448 PEPMASS=1053.7208 SCANS=448 RTINSECONDS=2098.124 CHARGE=1 MSLEVEL=2 86.0965 4.4E3 89.0597 1.8E3 115.0753 1.1E3 117.0907 4.9E3 133.0854 1.9E3 175.1328 3.5E3 177.1118 1.1E3 199.1798 1.4E3 201.1230 1.1E3 227.1752 4.4E3 229.1183 2.4E3 233.1744 1.0E3 245.1313 1.0E3 245.1856 2.2E3 324.2164 2.8E3 326.2435 2.2E3 328.1862 2.6E3 342.2017 2.7E3 346.1418 1.3E3 352.2470 3.3E3 360.2129 2.8E3 370.2579 1.3E3 378.1677 1.8E3 395.2645 2.4E3 423.2591 1.7E3 437.3000 4.2E3 441.2700 2.0E4 455.2855 4.3E3 455.3104 3.9E3 459.2264 9.7E3 459.2802 4.8E3 465.3318 5.2E3 473.2418 1.1E3 473.3210 1.3E3 477.2371 1.0E3 483.3426 6.4E3 508.3485 2.8E3 526.3049 1.5E3 526.3586 1.8E3 532.3740 2.3E3 536.3436 3.8E3 540.4016 1.1E3 544.3151 1.0E3 550.3613 1.0E3 550.3833 5.9E3 554.2987 1.8E3 554.3538 8.8E3 560.4053 1.3E3 568.3702 1.3E3 568.3942 1.6E4 569.3976 1.6E3 570.3381 1.5E3 572.3106 5.3E3 572.3640 5.1E3 578.4156 3.1E3 586.3265 1.1E3 586.3811 1.1E3 590.3209 2.9E3 596.3717 3.5E3 596.4262 7.1E3 604.3376 1.8E3 614.3824 4.6E3 631.4415 1.9E3 639.4434 1.1E3 649.4271 1.4E3 649.4521 5.3E3 657.4178 3.9E3 663.4673 1.8E3 665.4108 2.0E3 667.4370 8.2E3 667.4631 9.7E3 668.4398 1.2E3 669.4064 1.2E3 671.4329 6.6E3 677.4847 1.5E3 681.4784 4.8E3 683.4224 4.4E3 684.4333 1.4E3 685.3942 5.5E3 685.4483 1.0E5 686.4510 1.2E4 693.4421 1.2E3 695.4397 1.3E3 695.4935 3.8E3 699.4631 2.7E3 701.4443 1.9E3 702.4459 1.4E3 703.4045 6.2E4 709.5095 1.2E3 711.4539 2.8E3 713.4512 4.7E3 717.4194 1.4E3 727.4668 1.2E3 729.4089 1.6E3 737.4686 1.3E3 764.4785 3.3E3 778.4939 2.0E3 780.5475 6.0E3 781.5480 1.2E3 782.4908 5.1E3 796.5059 2.6E3 810.4670 1.7E3 810.5201 1.9E3 826.5364 3.2E3 828.4767 2.7E3 842.4930 1.0E3 849.5682 4.5E3 859.5524 1.7E3 877.5637 8.0E3 878.5704 1.1E3 891.5797 1.7E3 893.6315 1.5E3 895.5745 1.5E4 896.5767 2.6E3 905.5496 1.0E3 905.5952 1.1E3 909.5894 5.5E3 923.5508 4.0E3 923.6047 1.7E3 937.5677 1.1E3 939.6152 1.3E3 941.5610 8.5E3 955.5782 3.6E3 962.6510 1.9E3 963.6371 1.7E3 972.6374 1.9E3 980.6633 8.5E3 981.6696 2.2E3 990.6471 2.4E4 991.6507 5.6E3 1007.7207 3.4E3 1008.6580 1.3E5 1009.6619 3.0E4 1022.6723 3.0E3 1026.6506 7.3E3 1034.6727 3.0E3 1035.6766 4.4E3 1036.6357 1.0E4 1052.6821 1.5E3 1053.6871 3.4E3 1054.6455 5.1E4 END IONS BEGIN IONS FEATURE_ID=449 PEPMASS=1053.7172 SCANS=449 RTINSECONDS=2109.861 CHARGE=1+ MSLEVEL=2 86.0966 2.9E3 89.0599 1.3E3 115.0751 1.9E3 117.0911 4.8E3 133.0855 1.8E3 175.1331 2.7E3 177.1115 1.3E3 227.1752 2.6E3 229.1179 1.4E3 233.1745 1.3E3 326.2433 1.6E3 328.1862 3.2E3 338.2319 2.5E3 346.1969 2.1E3 356.2426 1.8E3 360.2129 1.0E3 395.2653 1.2E3 423.2592 2.2E3 427.2538 1.2E3 437.2751 1.0E3 441.2704 1.7E4 442.2735 1.2E3 445.2646 2.7E3 451.3156 4.2E3 455.2861 2.2E3 455.3111 1.3E3 459.2810 1.8E3 469.3266 7.4E3 473.3217 1.5E3 508.3481 3.6E3 536.3430 3.8E3 540.3378 1.9E3 546.3888 2.0E3 550.3843 1.2E3 554.3539 8.3E3 558.3492 2.2E3 564.3995 5.5E3 568.3943 6.8E3 572.3642 2.8E3 582.4105 1.6E4 583.4143 1.8E3 584.3539 1.3E3 625.4291 1.3E3 635.4105 1.5E3 645.4563 2.1E3 653.4225 9.5E3 654.4244 1.4E3 657.4183 1.6E3 663.4689 7.2E3 665.4109 1.5E3 667.4384 3.9E3 667.4639 1.2E3 671.4330 8.8E4 672.4365 1.1E4 681.4789 1.9E4 682.4809 2.3E3 683.4221 4.7E3 685.4482 3.4E4 686.4521 4.7E3 695.4952 2.2E3 697.4366 1.7E3 699.4642 6.7E3 700.4687 1.2E3 703.4059 1.6E3 760.4844 1.1E3 764.4793 1.3E3 778.4946 5.0E3 779.4966 1.2E3 780.5473 4.9E3 782.4905 1.5E3 792.5090 1.1E3 794.5632 1.5E3 796.5062 6.5E3 810.5225 1.0E3 831.5597 1.0E3 849.5681 4.2E3 877.5638 5.8E3 878.5675 1.0E3 891.5789 6.0E3 895.5752 4.4E3 905.5944 1.2E3 909.5895 1.8E4 910.5921 3.2E3 923.6033 2.3E3 962.6547 1.9E3 963.6393 1.6E3 972.6391 2.1E3 980.6637 9.2E3 981.6652 1.3E3 990.6473 2.4E4 991.6505 4.0E3 994.6808 2.1E3 1004.6626 4.9E3 1005.6673 1.5E3 1008.6580 1.3E5 1009.6613 2.8E4 1018.6779 1.2E3 1022.6744 2.7E4 1023.6772 5.2E3 1036.6906 9.3E3 1037.6919 1.9E3 1053.6864 2.3E3 1054.6473 1.4E3 END IONS BEGIN IONS FEATURE_ID=450 PEPMASS=1053.7170 SCANS=450 RTINSECONDS=2182.316 CHARGE=1+ MSLEVEL=2 86.0968 1.6E3 89.0600 1.5E3 91.5060 1.3E3 101.0712 1.8E3 117.0910 4.0E3 126.1024 1.6E3 133.0859 1.4E3 175.1326 2.0E3 177.1118 1.2E3 227.1751 1.3E3 233.1745 1.6E3 328.1864 1.7E3 441.2699 7.1E3 451.3156 2.1E3 455.2858 3.5E3 469.3271 3.0E3 508.3483 1.3E3 536.3428 1.6E3 546.3895 1.2E3 554.3542 2.4E3 564.3995 3.6E3 568.3691 1.8E3 568.3946 3.0E3 582.4107 8.6E3 586.3780 1.2E3 635.4104 1.1E3 653.4224 4.4E3 663.4697 2.2E3 667.4362 1.1E3 671.4327 3.5E4 672.4363 3.9E3 677.4829 1.1E3 681.4788 7.6E3 682.4818 1.5E3 683.4226 2.2E3 685.4482 8.7E3 686.4513 1.5E3 695.4934 3.0E3 699.4643 2.0E4 700.4670 2.6E3 701.4419 1.1E3 778.4941 1.8E3 780.5453 1.8E3 792.5113 1.2E3 796.5047 1.9E3 810.5210 2.2E3 849.5672 1.3E3 877.5616 2.8E3 877.6014 1.1E3 891.5783 2.1E3 895.5729 1.8E3 905.5961 2.1E3 909.5891 5.8E3 910.5909 1.1E3 923.6045 5.3E3 980.6598 3.3E3 981.6619 1.2E3 990.6471 9.2E3 991.6492 2.0E3 1008.6572 4.9E4 1009.6602 1.2E4 1018.6761 3.4E3 1019.6812 1.1E3 1022.6750 2.4E3 1036.6892 2.4E4 1037.6940 5.9E3 1053.6805 1.2E3 END IONS BEGIN IONS FEATURE_ID=451 PEPMASS=1053.7153 SCANS=451 RTINSECONDS=2202.997 CHARGE=1+ MSLEVEL=2 117.0911 1.9E3 126.1024 1.1E3 175.1326 1.4E3 360.2125 1.2E3 423.2596 1.0E3 441.2702 7.1E3 465.3322 1.2E3 469.3260 1.1E3 483.3415 1.5E3 508.3471 1.0E3 536.3431 1.0E3 554.3542 2.8E3 578.4154 2.4E3 582.4106 2.3E3 596.4261 4.2E3 653.4224 1.6E3 667.4385 2.8E3 671.4332 1.4E4 677.4841 2.0E3 681.4785 2.7E3 685.4485 3.2E4 686.4523 4.4E3 695.4938 4.2E3 711.4513 1.5E3 792.5089 1.2E3 810.5201 2.1E3 824.5384 1.0E3 877.5974 1.2E3 905.5939 3.1E3 909.5903 2.4E3 923.6047 3.9E3 924.6063 1.2E3 980.6628 1.3E3 990.6467 4.1E3 1008.6560 1.7E4 1008.7026 1.1E3 1009.6585 4.0E3 1018.6788 6.0E3 1019.6832 2.3E3 1036.6897 3.9E4 1037.6932 1.1E4 END IONS BEGIN IONS FEATURE_ID=452 PEPMASS=1053.7164 SCANS=452 RTINSECONDS=2212.463 CHARGE=1+ MSLEVEL=2 117.0912 1.5E3 175.1328 1.4E3 441.2704 5.1E3 465.3320 1.1E3 483.3420 1.7E3 508.3483 1.2E3 526.3585 1.1E3 554.3546 2.9E3 572.3649 1.0E3 578.4151 1.4E3 582.4094 1.2E3 596.4260 4.6E3 667.4380 3.9E3 671.4312 1.2E3 677.4826 1.7E3 681.4792 1.1E3 685.4485 3.8E4 686.4517 5.0E3 695.4943 4.5E3 711.4536 1.0E3 792.5104 1.1E3 808.5768 1.3E3 810.5187 1.2E3 877.5980 1.4E3 905.5945 2.1E3 923.6052 6.0E3 1004.6622 1.0E3 1008.6541 2.0E3 1008.7019 2.6E3 1018.6784 6.1E3 1019.6781 1.3E3 1022.6727 4.8E3 1023.6742 1.3E3 1035.6779 1.0E3 1036.6896 3.5E4 1037.6929 7.8E3 END IONS BEGIN IONS FEATURE_ID=453 PEPMASS=1054.6479 SCANS=453 RTINSECONDS=2102.299 CHARGE=1+ MSLEVEL=2 86.0966 8.2E3 87.0442 2.1E3 89.0600 4.4E3 99.0806 1.1E3 104.0529 2.8E3 115.0752 2.7E3 117.0912 1.2E4 124.0804 1.1E3 126.1024 1.1E3 130.0498 1.0E3 133.0858 4.1E3 175.1326 6.3E3 177.1118 2.0E3 190.1196 1.2E3 199.1801 1.5E3 201.1231 1.6E3 217.1367 1.7E3 227.1752 5.7E3 229.1183 5.1E3 233.1747 3.1E3 243.1333 1.1E3 245.1315 6.6E3 245.1858 5.5E3 263.1418 2.7E3 324.2163 1.8E3 326.2437 3.1E3 328.1859 6.0E3 342.2016 4.6E3 344.1998 3.9E3 346.1429 6.3E3 352.2476 1.1E4 360.1578 1.8E3 360.2121 6.8E3 370.2580 6.7E3 371.3261 1.7E3 378.1685 2.5E3 395.2648 3.3E3 413.2215 2.5E3 413.2751 1.1E3 423.2593 4.4E3 431.2314 1.8E3 437.3001 2.4E3 441.2162 5.6E3 441.2701 2.3E4 442.2741 3.7E3 447.3207 1.8E3 455.2321 1.1E3 455.2857 3.4E3 455.3105 4.1E3 459.2264 3.3E4 459.2807 6.2E3 460.2303 3.3E3 465.3317 1.6E4 466.3347 1.3E3 473.2416 4.9E3 475.2943 1.2E3 477.2368 2.6E3 483.3423 2.0E4 484.3455 2.4E3 485.2843 1.2E3 496.3114 1.0E3 501.3518 2.7E3 508.3484 1.7E3 525.2902 1.0E3 526.3049 5.1E3 526.3589 1.7E3 527.2916 1.0E3 536.3437 3.0E3 543.2479 1.1E3 544.3153 4.7E3 550.3840 4.0E3 551.3880 1.8E3 552.3639 1.0E3 554.2998 6.1E3 554.3542 6.7E3 554.3795 1.0E3 555.3573 1.7E3 560.4047 1.6E3 568.3944 7.8E3 568.4325 1.7E3 569.3973 3.9E3 570.2570 1.1E3 572.3104 1.8E4 572.3641 2.5E3 573.3136 2.3E3 578.3615 3.0E3 578.4157 6.6E3 580.3566 1.5E3 582.4104 1.4E3 586.3262 2.9E3 586.3825 1.4E3 588.3779 1.8E3 590.3208 1.1E4 596.3727 9.5E3 596.4263 1.8E4 597.4288 2.9E3 598.3684 3.1E3 599.4370 1.4E3 600.3660 1.3E3 604.3373 6.5E3 614.3823 1.8E4 615.3870 1.4E3 639.3891 1.0E3 649.4527 2.6E3 650.4561 1.8E3 657.4202 4.3E3 658.4204 1.8E3 663.4673 1.0E3 665.4490 1.2E3 667.3842 1.6E3 667.4372 4.2E3 667.4633 3.7E3 668.4396 1.7E3 668.4662 4.1E3 671.4333 2.1E3 672.4356 1.2E3 677.4296 1.9E3 677.4849 3.6E3 681.4797 2.1E3 682.4824 1.3E3 683.4228 1.6E3 683.4576 1.0E3 684.4308 1.1E3 685.3954 1.7E4 685.4484 4.8E4 686.3983 2.4E3 686.4516 2.6E4 687.4550 1.5E3 693.4436 4.0E3 695.4399 6.8E3 695.4934 6.6E3 696.4985 1.1E3 697.4378 1.3E3 699.4651 2.0E3 700.4675 1.8E3 702.4493 1.1E3 703.4050 1.9E5 704.4080 2.2E4 709.5105 1.6E3 711.3981 1.4E3 711.4527 9.8E3 712.4564 1.6E3 713.4513 1.5E4 714.4534 1.9E3 717.4191 2.3E3 727.4674 2.0E3 729.4099 4.3E3 764.4788 1.5E3 764.5142 1.1E3 765.5031 2.3E3 780.5485 2.3E3 781.5518 1.3E3 782.4943 2.5E3 783.4939 1.4E3 792.4568 2.0E3 792.5111 2.5E3 796.5051 2.1E3 806.5247 2.3E3 808.5248 2.2E3 808.5782 1.7E3 810.4665 6.1E3 810.5207 4.8E3 824.4838 1.8E3 824.5377 3.2E3 826.5350 1.0E4 827.5383 1.5E3 828.4774 6.4E3 829.4799 1.0E3 840.5504 1.4E3 842.4924 3.2E3 848.5363 1.0E3 849.5671 1.9E3 850.5699 1.1E3 877.5607 2.9E3 878.5654 3.9E3 892.5822 1.0E3 895.5746 6.6E3 896.5398 1.8E3 896.5803 3.6E3 905.5392 2.9E3 905.5934 1.8E3 909.5900 1.9E3 910.5931 2.0E3 913.5677 1.3E3 923.5507 1.0E4 923.6049 3.9E3 924.5539 2.6E3 937.5666 3.3E3 939.6197 1.6E3 941.5618 2.5E4 942.5652 3.8E3 955.5771 7.8E3 956.5790 1.8E3 978.6477 2.2E3 980.6644 3.8E3 981.6674 3.9E3 990.6479 8.0E3 991.6516 1.1E4 992.6545 1.1E3 1008.6584 4.9E4 1009.6620 5.7E4 1010.6685 5.4E3 1018.6225 2.6E3 1022.6730 2.2E3 1023.6759 1.4E3 1026.6506 1.9E4 1027.6514 3.7E3 1035.6776 2.9E3 1036.6348 3.1E4 1037.6371 7.0E3 1053.6882 1.3E3 1054.6456 1.4E5 1055.6490 3.2E4 END IONS BEGIN IONS FEATURE_ID=454 PEPMASS=1054.6470 SCANS=454 RTINSECONDS=2132.129 CHARGE=1 MSLEVEL=2 86.0967 7.2E3 87.0441 2.6E3 89.0598 2.5E3 91.5060 1.1E3 99.0803 1.5E3 101.0708 2.2E3 115.0752 3.3E3 117.0911 1.1E4 126.1023 1.6E3 133.0859 3.4E3 157.1224 1.4E3 168.1063 1.2E3 175.1328 7.0E3 177.1120 2.4E3 199.1801 1.0E3 201.1232 1.4E3 217.1365 1.8E3 221.1382 1.1E3 227.1749 3.4E3 229.1181 4.4E3 233.1744 3.2E3 245.1314 7.1E3 245.1856 4.7E3 291.2148 1.1E3 328.1859 6.5E3 342.2009 3.7E3 344.1991 5.5E3 352.2476 7.1E3 355.1856 5.3E3 356.1893 2.0E3 360.1577 1.4E3 360.2124 5.7E3 370.2584 3.3E3 371.3260 4.3E3 372.3296 2.0E3 395.2649 2.8E3 413.2201 2.5E3 413.2752 1.1E3 423.2591 1.7E3 441.2152 4.0E3 441.2697 1.3E4 442.2735 2.8E3 454.2541 4.7E3 455.2317 1.0E3 455.2582 3.1E3 455.2855 1.4E3 455.3105 1.7E3 455.3462 1.5E3 457.2651 1.0E3 458.2676 1.2E3 459.2263 2.7E4 459.2799 5.0E3 460.2290 1.9E3 465.2775 1.4E3 469.3266 2.1E3 473.2415 3.4E3 475.2939 1.4E3 483.2878 6.1E3 483.3421 4.3E3 484.4102 2.1E3 485.2843 1.3E3 485.4134 1.3E3 501.2985 7.6E3 501.3527 1.0E3 508.3488 1.4E3 526.3055 3.1E3 526.3585 1.4E3 527.3442 1.2E3 536.3437 2.1E3 544.3141 3.1E3 550.3848 1.8E3 554.2988 4.2E3 554.3535 7.5E3 555.3569 1.2E3 564.3995 2.0E3 565.4034 1.1E3 568.3943 3.8E3 569.2798 1.6E3 569.3985 1.4E3 570.2841 1.4E3 572.3102 1.2E4 572.3638 5.8E3 573.3136 1.1E3 573.3684 1.3E3 578.3602 3.4E3 580.3594 1.1E3 582.4095 4.5E3 583.4122 2.4E3 586.3265 1.3E3 590.3195 2.3E3 596.3716 9.0E3 596.4254 7.3E3 598.3698 2.4E3 599.4369 3.0E3 600.4397 3.3E3 604.3378 2.4E3 614.3821 1.7E4 615.3846 1.6E3 649.4537 1.1E3 663.4687 1.6E3 665.4467 1.1E3 667.4372 4.6E3 667.4630 3.0E3 668.4398 2.2E3 668.4665 1.8E3 671.4333 1.8E3 677.4290 3.0E3 681.4786 4.2E3 682.4815 1.9E3 683.3680 1.5E3 683.4576 1.3E3 685.3959 1.4E4 685.4480 5.0E4 686.3967 1.9E3 686.4510 2.4E4 687.4543 1.6E3 693.4406 2.4E3 695.4402 7.2E3 696.4424 1.0E3 697.4362 1.5E3 701.4436 2.2E3 702.4464 3.3E3 703.4046 1.1E5 704.4080 1.2E4 711.4517 6.4E3 713.4504 1.7E4 714.4542 2.4E3 727.4663 2.1E3 764.4785 1.3E3 765.4997 1.9E3 778.4952 1.1E3 792.4561 1.3E3 794.5629 1.7E3 796.5032 1.7E3 797.5065 1.5E3 808.5252 1.8E3 810.4669 4.4E3 810.5233 2.4E3 824.4806 2.8E3 826.5349 6.6E3 828.4755 4.4E3 842.4933 3.3E3 849.5692 1.1E3 891.5773 2.3E3 892.5822 2.0E3 894.5947 1.1E3 895.5596 4.0E3 896.5333 1.1E3 896.5738 1.8E3 905.5906 1.2E3 909.5889 4.4E3 910.5936 3.0E3 923.5510 6.1E3 923.6017 2.6E3 924.5551 1.2E3 924.6091 1.3E3 937.5665 1.3E3 941.5611 1.4E4 942.5632 2.3E3 955.5757 6.3E3 956.5805 1.3E3 980.6608 2.0E3 981.6681 1.3E3 990.6497 3.9E3 991.6517 4.8E3 994.6770 2.1E3 995.6826 2.7E3 1004.6616 4.7E3 1005.6655 4.3E3 1008.6585 2.2E4 1009.6616 2.5E4 1010.6664 3.2E3 1022.6726 1.9E4 1023.6760 2.5E4 1024.6771 2.7E3 1026.6508 1.1E4 1027.6521 2.2E3 1035.6761 5.0E3 1036.6338 1.6E4 1036.6805 1.5E3 1037.6372 4.1E3 1053.6876 4.0E3 1054.6451 6.9E4 1055.6478 1.6E4 END IONS BEGIN IONS FEATURE_ID=455 PEPMASS=1054.6975 SCANS=455 RTINSECONDS=1952.901 CHARGE=1+ MSLEVEL=2 82.6369 1.1E3 84.0449 1.4E3 84.4814 1.2E3 86.0947 2.1E3 86.0968 2.8E4 91.5081 2.7E3 95.1477 1.0E3 102.0527 1.8E3 102.0547 2.3E3 104.8136 1.0E3 111.0151 1.2E3 112.8921 1.0E3 117.0908 4.2E3 126.0472 1.1E3 130.0129 1.1E3 133.8575 1.6E3 142.8045 1.3E3 147.7902 1.1E3 158.4338 1.1E3 159.6528 2.1E3 161.5373 1.4E3 164.4387 1.1E3 171.3209 1.1E3 174.6420 1.2E3 175.1324 1.5E3 183.1124 1.4E3 185.1646 2.2E3 190.1196 1.1E3 199.1805 8.5E3 201.1233 3.3E3 210.0290 1.3E3 211.2117 1.2E3 213.1599 3.2E3 215.1026 3.2E3 227.1751 4.9E4 228.1786 1.7E3 229.1178 1.0E4 231.1703 3.1E3 239.1904 1.0E3 240.2326 1.3E3 245.1855 2.3E4 281.2218 3.7E3 281.3758 1.2E3 298.2483 4.2E3 300.1914 1.3E3 326.2433 3.9E4 327.2467 1.7E3 328.1863 3.2E4 342.2018 9.3E3 342.2638 2.3E3 344.2533 1.2E4 346.1973 1.7E3 352.2476 6.0E3 356.2152 1.1E3 360.2117 2.2E4 361.2150 1.1E3 368.2423 3.8E3 368.3357 1.3E3 369.2454 2.4E3 370.0778 1.2E3 370.2582 9.7E4 371.2612 5.9E3 377.7820 1.1E3 395.2648 8.2E3 397.3385 1.1E3 413.2747 9.8E3 419.3256 1.6E3 423.2594 9.2E3 429.7748 1.7E3 437.2757 1.9E3 437.3370 2.2E3 439.3279 1.4E3 441.2701 2.5E5 442.2735 1.9E4 447.3205 2.1E3 453.8268 1.0E3 455.2855 8.5E3 455.3472 3.4E3 456.2906 1.4E3 459.2805 5.9E4 460.2830 3.5E3 464.3174 1.4E3 465.3316 2.2E4 466.3344 1.2E3 469.3271 4.6E3 478.8126 1.0E3 481.3271 1.2E3 482.3312 1.7E3 483.3422 3.8E5 484.3453 3.0E4 508.3481 5.2E3 526.3585 1.5E4 536.3432 7.7E3 547.5859 1.7E3 550.4197 1.3E3 554.3538 5.6E4 555.3574 7.3E3 560.4044 3.2E3 564.4003 2.5E3 568.3704 3.2E3 568.4308 1.0E4 571.3533 1.8E3 572.3644 5.8E4 573.3680 6.0E3 576.4014 1.2E3 578.4149 3.1E4 579.4183 5.5E3 582.4093 3.7E3 595.4133 1.5E3 596.4260 4.6E5 597.4289 5.2E4 599.4071 1.6E3 613.4232 1.6E3 639.4449 2.2E3 647.6473 1.6E3 649.4261 1.3E3 654.0737 1.2E3 665.4460 3.6E3 667.4377 4.0E4 667.4986 8.9E3 668.4401 3.6E3 668.5024 1.6E3 677.4840 2.7E4 678.4862 4.1E3 685.4483 5.6E5 686.4515 8.1E4 687.4539 5.5E3 693.4423 1.3E3 695.4944 2.1E5 696.4972 2.8E4 701.4429 2.9E3 702.4456 2.6E3 705.1194 1.2E3 711.4504 1.6E3 721.0843 1.2E3 764.5158 6.8E3 774.4981 1.9E3 777.9980 1.3E3 779.7864 1.3E3 792.5098 2.3E4 793.5128 3.9E3 810.5211 8.5E3 811.5243 3.2E3 814.4883 1.2E3 824.5374 2.3E3 865.8922 1.4E3 882.7662 1.5E3 886.6019 1.2E3 905.5955 6.7E3 923.5565 1.9E3 923.6046 3.5E4 924.6080 4.0E3 941.6039 1.5E3 976.6315 1.8E3 994.6420 1.0E4 1017.6777 1.3E3 1018.2712 1.5E3 1018.6738 1.5E3 1025.6982 1.3E3 1035.6772 6.5E3 1036.6860 1.2E4 1037.6918 1.9E3 1053.6874 1.6E4 1054.6927 1.1E4 END IONS BEGIN IONS FEATURE_ID=456 PEPMASS=1056.6262 SCANS=456 RTINSECONDS=1757.728 CHARGE=1+ MSLEVEL=2 86.0965 3.9E3 166.0528 1.3E3 199.1801 1.0E3 215.1390 1.1E3 227.1755 2.9E3 253.1690 1.4E3 261.1263 1.8E3 263.0693 6.9E3 279.1370 1.4E4 326.2435 2.7E3 328.1864 2.8E3 330.1653 1.2E3 338.2319 7.7E3 356.2426 2.4E3 362.1374 4.6E3 374.2098 1.1E3 376.1532 7.4E3 394.1637 2.1E4 395.2657 1.1E3 423.2591 2.3E3 423.3228 1.0E3 429.2160 1.1E3 429.2331 1.1E3 433.3053 1.7E3 441.2703 1.9E4 442.2733 1.4E3 447.2272 1.3E3 448.2108 1.7E3 451.3164 9.8E3 452.3193 1.0E3 457.3377 1.2E3 469.3269 9.0E3 475.2218 6.3E3 478.3020 1.7E3 489.2368 1.5E3 493.2324 1.1E4 503.2173 1.0E3 507.2482 1.5E3 524.3077 3.4E3 524.3304 1.1E3 542.3185 1.3E3 543.2839 1.1E3 546.3888 5.4E3 552.3621 3.5E3 560.3116 1.7E3 564.3999 1.2E4 565.4034 1.7E3 570.2943 5.1E3 582.4102 1.5E4 583.4137 1.7E3 588.3055 1.7E4 588.3672 2.8E3 589.3082 1.2E3 602.3204 2.3E3 606.3160 1.2E4 607.3201 1.1E3 616.3620 1.6E4 617.3647 1.3E3 619.3729 2.3E3 620.3320 5.6E3 637.3916 6.9E3 645.4574 4.6E3 655.4024 1.3E4 656.4045 1.0E3 663.4678 8.0E3 664.4714 1.3E3 665.4468 1.9E3 667.3902 8.7E3 668.3964 1.3E3 673.3943 4.3E3 674.3774 1.0E3 681.4790 1.5E4 682.4817 1.9E3 683.3793 1.7E3 685.4485 2.3E3 686.4524 3.0E3 687.4545 2.5E3 688.4566 1.9E3 695.4930 1.3E3 701.3897 2.4E4 702.3923 3.6E3 703.3940 1.6E3 713.3790 4.7E3 719.4001 2.4E5 720.4031 2.9E4 729.4448 4.6E3 731.3892 1.4E4 732.3922 1.9E3 750.4995 2.4E3 760.4846 2.3E3 762.4647 1.2E3 766.4581 3.0E3 776.5520 2.2E3 778.4949 5.6E3 778.5316 1.8E3 780.4749 1.3E3 785.4363 4.7E3 794.5637 6.9E3 795.5665 1.0E3 796.5046 2.8E3 812.4498 3.6E3 826.4617 3.7E3 830.4581 6.2E3 842.5316 2.2E3 844.4728 8.4E3 845.4758 1.7E3 845.5740 1.7E3 861.5338 1.4E3 863.5826 4.4E3 875.5460 1.3E3 879.5431 3.3E3 880.5090 1.3E3 891.5816 4.1E3 893.5566 4.0E3 897.5347 1.1E3 898.5190 5.7E3 907.5212 2.1E3 909.5892 1.7E3 915.5468 2.1E3 925.5308 8.8E3 926.5340 1.6E3 929.5630 1.6E3 939.5474 4.6E3 940.5531 1.7E3 941.5972 2.5E3 943.5411 2.3E4 944.5444 4.9E3 956.6057 2.3E3 957.5563 1.2E4 958.5605 1.2E3 964.6317 4.0E3 974.6174 2.2E4 975.6196 4.6E3 992.6270 1.1E5 993.6306 2.2E4 1010.6194 4.1E3 1011.6027 4.3E3 1012.6078 1.2E3 1020.6035 4.9E3 1020.6561 1.1E3 1021.6017 1.2E3 1028.6309 1.9E4 1029.6334 4.8E3 1037.6863 1.7E3 1038.6150 5.5E4 1039.6200 1.2E4 1039.6738 1.0E3 1055.6960 3.5E3 1056.6255 2.1E5 1057.6285 4.6E4 END IONS BEGIN IONS FEATURE_ID=457 PEPMASS=1056.6260 SCANS=457 RTINSECONDS=1848.181 CHARGE=1+ MSLEVEL=2 86.0965 4.7E3 91.5082 1.4E3 166.0530 1.1E3 180.1013 2.9E3 201.1232 1.4E3 219.1155 1.4E3 227.1749 1.1E3 229.1177 2.3E3 243.1334 1.1E3 244.0998 1.4E3 245.1859 3.5E3 247.1106 4.1E3 261.1263 1.7E4 296.1964 1.1E3 328.1863 3.4E3 332.1992 1.5E3 338.2317 6.2E3 342.2013 2.1E3 352.2473 1.0E3 356.2424 2.8E3 360.1943 1.6E4 360.2113 3.5E3 362.1372 1.0E4 372.1576 1.7E3 374.2102 1.0E3 376.1533 1.1E3 378.2042 1.0E3 411.2236 4.6E3 413.2748 1.1E3 414.2584 1.9E3 423.2594 1.2E3 425.2380 1.0E3 429.2154 2.1E3 433.3050 1.5E3 441.2701 6.6E3 441.3317 1.0E3 447.2263 1.6E3 451.3159 7.2E3 455.2850 1.0E3 457.2111 7.7E3 459.2802 7.1E3 469.3261 8.3E3 471.2266 1.2E3 471.2690 1.1E3 475.2213 6.4E4 476.2246 5.3E3 485.2672 1.8E3 487.3369 1.0E3 489.2369 3.5E3 491.2894 1.6E3 503.2774 1.1E3 524.3071 4.4E3 538.3483 1.4E3 542.2999 5.8E3 552.3641 2.4E3 554.3557 3.5E3 554.4149 2.2E3 559.2426 1.9E3 560.3098 6.9E3 564.4001 1.2E3 570.2943 6.7E3 580.3405 7.6E3 581.3427 1.1E3 582.4102 1.1E4 583.4136 1.5E3 584.3532 2.9E3 586.2533 1.8E3 588.3049 2.5E4 589.3074 2.8E3 598.3513 1.5E4 599.3557 1.2E3 602.3207 1.4E3 606.3159 1.2E4 616.3612 1.8E4 617.3648 2.1E3 619.3797 1.2E3 620.3315 3.5E3 633.4220 1.3E3 637.3904 6.6E3 641.3867 5.2E3 651.4322 3.2E3 655.4025 1.3E4 656.4056 1.8E3 665.4478 2.8E3 669.4440 1.9E3 672.3252 1.3E3 673.3936 3.1E3 679.4040 1.6E3 679.4268 3.4E3 683.3790 2.3E3 687.4338 1.1E3 695.4927 3.1E3 697.4174 5.3E3 697.4387 6.0E3 698.4415 1.9E3 699.3353 1.0E3 701.3895 2.8E4 702.3925 2.7E3 705.3839 7.4E3 711.4324 1.2E3 715.4297 1.6E4 716.4329 1.8E3 719.3997 2.2E5 720.4026 3.0E4 723.4896 1.1E3 729.4443 3.2E3 731.3914 1.7E3 733.4145 3.7E3 746.4714 1.3E3 751.4841 5.3E3 764.5168 2.5E3 765.5202 1.2E3 766.4609 1.4E3 778.4940 1.2E3 784.4515 1.3E3 792.5103 1.2E3 794.4344 5.8E3 796.5050 3.1E3 810.5194 2.9E3 812.4467 1.0E4 828.5143 1.2E4 829.5173 1.3E3 830.4566 1.7E4 831.4597 2.3E3 833.5363 1.3E3 834.5209 1.1E3 842.5287 1.8E3 844.4715 2.1E3 861.5330 4.5E3 864.5681 1.4E3 879.5426 9.0E3 880.5468 1.5E3 893.5571 1.9E3 897.5349 5.0E3 907.5168 3.4E3 909.5875 2.0E3 925.5297 1.7E4 926.5344 3.4E3 939.5455 4.1E3 941.5997 2.2E3 943.5406 3.8E4 944.5449 5.9E3 947.6044 1.2E3 956.6036 1.2E3 957.5557 6.8E3 958.5590 1.6E3 964.6310 6.6E3 974.6160 1.4E4 975.6202 3.3E3 992.6263 6.7E4 993.6295 1.3E4 1010.6182 4.3E3 1011.6025 3.5E3 1020.6040 3.9E3 1028.6299 2.9E4 1029.6351 5.8E3 1038.6144 4.7E4 1039.6160 9.3E3 1056.6249 2.3E5 1057.6283 5.4E4 END IONS BEGIN IONS FEATURE_ID=458 PEPMASS=1056.6260 SCANS=458 RTINSECONDS=1871.72 CHARGE=1+ MSLEVEL=2 86.0966 4.0E3 115.0752 1.4E3 117.0908 2.8E3 175.1321 1.6E3 201.1232 1.1E3 227.1751 1.5E3 229.1183 3.3E3 233.1316 4.4E3 233.1744 1.0E3 245.1857 3.4E3 259.0748 1.1E3 261.1263 1.5E4 277.0841 2.4E3 328.1859 4.3E3 332.1992 6.5E3 338.2321 6.4E3 342.2015 1.9E3 352.2472 1.8E3 356.2422 2.4E3 357.3094 1.2E3 360.1945 3.0E4 360.2107 4.8E3 361.1974 1.9E3 372.1582 1.1E3 376.1528 1.5E3 378.2049 2.9E3 383.1922 1.6E3 395.2643 1.2E3 397.2074 2.3E3 411.2231 4.1E3 413.2756 1.2E3 429.2162 3.4E3 441.2704 8.6E3 441.3317 1.5E3 444.2157 1.8E3 457.2113 5.1E3 459.2801 5.9E3 467.2567 8.5E3 469.3265 4.4E3 471.2253 1.4E3 475.2215 4.3E4 476.2250 2.2E3 483.3419 1.3E3 485.2675 2.1E4 487.3373 2.1E3 489.2365 2.2E3 491.2894 1.4E3 496.2750 2.1E3 503.2777 1.8E4 504.2804 1.4E3 510.2913 2.4E3 524.3071 6.9E3 542.3000 4.1E3 552.3636 3.5E3 554.3545 2.6E3 559.2422 1.5E3 560.3105 4.5E3 568.3957 1.9E3 570.2941 6.3E3 570.3557 1.6E3 572.3647 2.9E3 580.3405 7.2E3 582.4103 6.9E3 584.3534 1.8E3 585.4211 1.1E3 586.2536 1.1E3 588.3051 1.9E4 588.3662 1.6E3 589.3080 2.2E3 596.4257 1.5E3 598.3511 1.8E4 599.3547 1.7E3 602.3215 1.7E3 606.3163 3.5E3 616.3615 2.7E4 617.3657 2.9E3 620.3315 3.0E3 633.4212 1.7E3 637.3906 6.4E3 641.3851 4.2E3 651.4326 3.3E3 655.4029 1.1E4 656.4056 1.0E3 665.4474 2.4E3 669.4437 1.5E3 673.3936 2.4E3 679.4042 6.7E3 681.4783 1.0E3 683.3771 1.4E3 685.4497 2.5E3 687.4359 1.9E3 697.4187 1.1E4 697.4406 4.9E3 698.4229 1.9E3 701.3892 2.6E4 701.4500 1.6E3 702.3929 4.0E3 705.3837 6.8E3 713.3772 1.3E3 715.4299 3.5E4 716.4343 3.3E3 719.3997 1.6E5 720.4031 1.8E4 729.4451 3.7E3 748.4487 1.7E3 751.4832 2.8E3 766.4581 1.4E3 778.4944 1.1E3 778.5298 1.3E3 784.4509 1.5E3 794.4362 3.9E3 796.5031 2.5E3 800.5193 1.9E3 808.4536 1.1E3 810.5016 3.6E3 812.4466 1.2E4 813.4503 2.2E3 826.4615 2.9E3 828.5142 1.6E4 829.5177 2.7E3 830.4568 1.4E4 831.4595 1.7E3 842.5295 2.1E3 844.4736 4.5E3 861.5345 4.0E3 879.5431 5.9E3 880.5482 1.3E3 891.5805 1.2E3 897.5355 6.6E3 898.5264 1.5E3 907.5177 2.4E3 909.5896 1.3E3 925.5310 1.7E4 926.5350 3.2E3 929.5611 2.0E3 939.5478 2.6E3 941.5984 2.1E3 943.5410 3.7E4 944.5440 6.7E3 946.6221 1.1E3 956.6031 1.3E3 957.5561 9.6E3 958.5620 1.4E3 964.6351 4.7E3 974.6167 1.5E4 975.6203 2.4E3 992.6269 5.5E4 993.6313 1.1E4 1010.6176 4.8E3 1011.5998 2.3E3 1020.6042 5.2E3 1028.6300 2.9E4 1029.6337 5.8E3 1038.6143 4.7E4 1039.6185 1.1E4 1056.6251 1.8E5 1057.6284 4.3E4 END IONS BEGIN IONS FEATURE_ID=459 PEPMASS=1056.6259 SCANS=459 RTINSECONDS=2050.131 CHARGE=1+ MSLEVEL=2 86.0964 4.5E3 87.0440 2.2E3 89.0596 3.8E3 99.0802 2.0E3 101.0960 1.6E3 115.0750 2.9E3 117.0906 1.1E4 133.0854 3.1E3 157.1221 1.0E3 175.1326 6.1E3 177.1115 2.0E3 227.1747 3.3E3 229.1182 2.4E3 233.1310 1.4E3 233.1746 3.9E3 245.1853 2.5E3 261.1263 5.9E3 277.0847 1.0E3 324.2156 2.0E3 326.2427 1.4E3 328.1850 2.2E3 332.1996 2.3E3 338.2322 2.8E3 342.2014 1.8E3 352.2467 1.3E3 356.2417 1.4E3 360.1946 1.1E4 360.2118 2.8E3 395.2650 1.1E3 423.2590 1.5E3 424.2628 1.0E3 429.2150 1.7E3 437.2997 2.4E3 438.3028 1.4E3 441.2698 9.6E3 442.2735 5.3E3 443.2756 2.1E3 451.3149 1.6E3 455.2854 1.7E3 455.3106 2.4E3 456.3138 1.8E3 457.2114 3.2E3 459.2804 3.4E3 460.2834 1.6E3 467.2561 3.6E3 469.3262 2.4E3 475.2216 2.3E4 476.2231 1.1E3 485.2666 6.6E3 503.2775 6.2E3 508.3476 1.8E3 509.3509 1.1E3 524.3065 2.6E3 526.3583 1.4E3 536.3437 1.6E3 538.3494 1.3E3 542.3012 1.5E3 550.3838 2.8E3 551.3887 3.6E3 552.3878 1.3E3 554.3542 4.4E3 555.3577 3.4E3 556.3596 1.9E3 560.3093 1.4E3 568.3942 6.1E3 569.3977 7.0E3 570.2941 2.8E3 570.4012 3.7E3 571.4037 1.2E3 572.3642 1.7E3 573.3676 1.5E3 580.3395 3.9E3 582.4084 3.1E3 588.3049 1.2E4 589.3088 1.4E3 598.3509 8.3E3 602.3195 1.1E3 606.3154 3.0E3 616.3611 1.2E4 620.3309 1.4E3 637.3891 3.0E3 649.4521 2.5E3 650.4548 2.9E3 651.4312 1.6E3 651.4596 2.0E3 655.4020 6.7E3 657.4159 1.1E3 666.4128 1.0E3 667.4401 3.8E3 667.4623 3.9E3 668.4391 4.7E3 668.4662 5.3E3 669.4426 3.2E3 669.4691 4.4E3 670.4720 1.1E3 673.3948 1.6E3 679.4074 2.1E3 683.4224 2.0E3 684.4272 1.6E3 685.4488 3.0E4 686.4515 4.0E4 687.4291 1.5E3 687.4542 3.4E4 688.4305 1.4E3 688.4562 7.2E3 697.4180 5.0E3 697.4396 3.5E3 701.3890 1.1E4 701.4416 1.1E3 701.4719 1.0E3 702.3918 1.7E3 702.4465 1.7E3 703.4038 3.1E3 715.4297 1.5E4 716.4340 2.5E3 719.3994 8.8E4 720.4026 1.2E4 729.4461 1.8E3 746.4715 1.0E3 751.4852 1.8E3 765.4821 1.1E3 766.4858 1.9E3 781.5215 1.2E3 781.5516 1.3E3 782.5555 2.3E3 783.4916 1.5E3 784.4560 1.0E3 784.4962 2.9E3 794.4365 1.2E3 796.5056 1.7E3 812.4462 7.1E3 826.4610 2.0E3 828.5132 6.3E3 830.4572 6.0E3 844.4727 1.3E3 849.5672 1.0E3 850.5734 1.1E3 851.5736 1.6E3 861.5306 1.5E3 877.5632 1.5E3 878.5656 2.7E3 879.5724 3.6E3 891.5800 1.3E3 895.5720 2.5E3 896.5776 6.4E3 897.5346 2.9E3 897.5798 1.0E4 898.5828 2.3E3 907.5192 1.3E3 909.5876 1.4E3 910.5922 1.1E3 911.5912 2.4E3 925.5294 7.9E3 926.5346 1.7E3 939.5461 1.8E3 943.5402 1.8E4 944.5435 4.0E3 957.5568 4.7E3 964.6290 2.7E3 974.6140 6.9E3 980.6631 1.4E3 981.6650 1.7E3 982.6689 5.6E3 983.6716 1.9E3 990.6490 2.9E3 991.6513 5.7E3 992.6273 1.9E4 993.6299 2.5E3 993.6583 3.5E3 994.6389 1.7E3 995.6454 1.8E3 1008.6576 1.9E4 1009.6603 2.6E4 1010.6638 7.0E4 1011.6665 3.1E4 1012.6691 2.5E3 1020.6024 2.7E3 1020.6570 3.7E3 1021.6578 3.4E3 1028.6298 1.4E4 1029.6316 3.1E3 1037.6815 3.9E3 1038.6146 2.6E4 1038.6725 4.3E3 1039.5618 1.3E3 1039.6166 5.2E3 1039.6731 3.2E3 1040.6283 3.0E3 1055.6975 3.5E3 1056.6243 9.7E4 1057.5732 2.7E3 1057.6271 2.3E4 END IONS BEGIN IONS FEATURE_ID=460 PEPMASS=1056.6259 SCANS=460 RTINSECONDS=2078.442 CHARGE=1+ MSLEVEL=2 85.0764 1.3E3 86.0967 2.1E3 87.0443 3.1E3 89.0600 4.4E3 99.0807 1.4E3 101.0711 1.6E3 101.0963 1.2E3 115.0755 3.6E3 117.0911 1.2E4 128.1182 1.7E3 133.0859 4.8E3 157.1221 1.4E3 175.1326 6.9E3 177.1117 2.6E3 227.1754 1.6E3 227.6536 1.1E3 233.1314 1.3E3 233.1747 4.6E3 245.1853 1.3E3 261.1261 3.1E3 291.2161 1.6E3 324.2171 1.1E3 328.1859 1.9E3 338.2318 1.4E3 342.2023 1.1E3 360.1945 6.6E3 360.2118 2.3E3 437.2999 1.3E3 438.3029 1.4E3 441.2702 3.5E3 442.2737 2.7E3 455.2854 1.2E3 456.3132 1.0E3 457.2115 1.2E3 457.3170 1.0E3 459.2801 2.5E3 467.2572 1.9E3 469.3261 1.4E3 475.2218 9.4E3 485.2669 5.2E3 503.2778 4.5E3 524.3078 1.3E3 550.3833 1.4E3 551.3892 1.1E3 554.3531 1.6E3 555.3575 1.8E3 556.3578 1.0E3 568.3941 2.6E3 569.3983 3.8E3 570.2941 1.7E3 570.4014 2.5E3 572.3640 1.8E3 580.3398 1.4E3 582.4103 1.2E3 588.3051 4.2E3 598.3509 3.6E3 616.3615 7.0E3 637.3916 1.2E3 651.4294 1.3E3 655.4041 2.3E3 667.4622 1.2E3 668.4401 1.3E3 668.4664 2.4E3 669.4422 1.8E3 669.4685 2.3E3 679.4078 1.8E3 683.4192 1.1E3 685.4492 8.7E3 686.4517 2.0E4 687.4543 2.2E4 688.4558 4.8E3 697.4142 2.9E3 701.3889 7.1E3 702.3912 1.2E3 703.4042 1.3E3 715.4296 7.8E3 716.4304 1.1E3 719.3997 3.7E4 720.4031 4.9E3 729.4440 1.5E3 751.4824 1.1E3 782.5514 1.0E3 784.4940 1.3E3 796.5053 1.0E3 798.5114 1.2E3 812.4470 2.6E3 826.4601 1.0E3 828.5142 2.9E3 830.4586 3.1E3 851.5729 1.4E3 879.5701 1.2E3 880.5723 1.0E3 896.5781 2.5E3 897.5336 1.6E3 897.5784 4.8E3 898.5822 2.0E3 911.5951 1.5E3 925.5317 4.1E3 943.5406 8.6E3 944.5397 1.1E3 957.5556 2.3E3 974.6124 2.9E3 982.6693 2.9E3 991.6462 1.2E3 992.6147 7.0E3 992.6501 3.6E3 993.6546 2.3E3 1008.6588 2.6E3 1009.6616 7.2E3 1010.6643 4.6E4 1011.6675 2.1E4 1012.6678 1.4E3 1020.6021 1.2E3 1024.6783 1.4E3 1028.6304 6.9E3 1029.6293 1.5E3 1038.6149 1.1E4 1039.6173 3.3E3 1055.6925 1.3E3 1056.6224 3.9E4 1057.5732 1.0E3 1057.6254 9.1E3 END IONS BEGIN IONS FEATURE_ID=461 PEPMASS=1058.6733 SCANS=461 RTINSECONDS=2157.327 CHARGE=1+ MSLEVEL=2 85.0764 9.1E3 89.0602 1.9E3 101.0712 1.2E3 115.0757 1.4E3 117.0911 4.6E3 131.0813 3.5E3 133.0859 1.5E3 175.1327 2.2E3 233.1747 1.4E3 1058.6714 7.5E4 1059.6748 1.6E4 END IONS BEGIN IONS FEATURE_ID=462 PEPMASS=1058.6730 SCANS=462 RTINSECONDS=2182.316 CHARGE=1+ MSLEVEL=2 1058.6713 3.8E5 1059.6744 7.9E4 END IONS BEGIN IONS FEATURE_ID=463 PEPMASS=1058.6704 SCANS=463 RTINSECONDS=2204.449 CHARGE=1+ MSLEVEL=2 1058.6713 3.8E5 1059.6744 7.9E4 END IONS BEGIN IONS FEATURE_ID=464 PEPMASS=1058.6721 SCANS=464 RTINSECONDS=2214.494 CHARGE=1+ MSLEVEL=2 1058.6715 1.7E5 1059.6750 3.4E4 END IONS BEGIN IONS FEATURE_ID=465 PEPMASS=1058.6725 SCANS=465 RTINSECONDS=2218.481 CHARGE=1+ MSLEVEL=2 1058.6715 1.7E5 1059.6750 3.4E4 END IONS BEGIN IONS FEATURE_ID=466 PEPMASS=1058.6737 SCANS=466 RTINSECONDS=2226.556 CHARGE=1+ MSLEVEL=2 85.0765 3.8E3 117.0913 1.9E3 131.0817 1.6E3 1058.6718 7.0E4 1059.6748 1.4E4 END IONS BEGIN IONS FEATURE_ID=467 PEPMASS=1062.5772 SCANS=467 RTINSECONDS=2062.374 CHARGE=1+ MSLEVEL=2 89.0601 1.4E3 115.0756 1.8E3 117.0910 6.2E3 133.0859 2.2E3 175.1328 2.8E3 177.1121 1.1E3 233.1750 1.6E3 508.2222 1.0E3 534.2383 1.0E3 568.2424 1.9E3 594.2579 1.9E3 626.2850 1.3E3 666.2418 1.8E3 702.3894 2.7E3 720.3981 3.4E3 728.4039 1.6E3 733.3208 1.6E3 739.3680 3.7E3 751.3317 1.3E3 764.4242 1.2E3 800.3885 3.0E3 806.3386 1.4E3 818.3981 6.9E3 832.3890 2.9E3 836.4084 5.2E3 846.4047 1.8E3 856.3897 1.2E3 874.4005 3.3E3 876.3785 1.1E3 885.4784 1.0E3 892.4105 3.8E3 894.3876 2.9E3 903.4885 1.9E3 913.4725 5.2E3 921.4985 4.4E3 931.4819 7.1E3 932.4838 1.1E3 949.4932 2.6E3 956.5162 1.3E3 974.5237 2.4E3 975.5266 3.0E3 1000.5762 4.5E3 1001.5069 1.6E3 1002.5580 1.6E3 1003.5596 2.1E3 1016.5723 1.2E3 1017.5784 1.6E3 1018.5168 3.5E3 1018.5850 2.1E3 1019.5187 4.6E3 1026.5554 2.7E4 1027.5574 4.2E3 1034.5823 2.0E3 1043.5709 7.0E3 1044.5669 1.3E5 1045.5698 2.4E4 1061.5797 1.6E4 1062.5773 2.9E5 1063.5803 6.3E4 1064.5801 1.7E3 END IONS BEGIN IONS FEATURE_ID=468 PEPMASS=1064.5815 SCANS=468 RTINSECONDS=1620.384 CHARGE=1+ MSLEVEL=2 86.0968 4.3E3 120.0809 4.8E3 233.1646 1.6E3 261.1594 3.4E3 303.1699 3.2E4 304.1731 1.5E3 330.1800 2.6E3 344.1968 2.2E3 355.1971 1.3E3 374.2430 2.0E3 401.2178 2.6E3 408.2283 2.4E3 422.2430 4.8E3 443.2650 2.6E3 450.2381 1.0E5 451.2414 7.9E3 491.2648 4.2E3 502.2649 8.6E3 514.3018 4.1E3 563.3221 9.1E4 564.3253 1.1E4 590.3333 1.8E3 597.3392 1.7E3 604.3495 1.6E3 615.3493 1.6E4 616.3529 2.0E3 661.3703 5.0E3 685.4476 2.5E3 703.4147 1.2E3 710.3903 1.9E4 711.3935 3.5E3 744.4052 1.2E3 762.4178 2.0E4 763.4207 3.3E3 774.4527 2.4E3 793.4273 1.9E4 794.4297 4.1E3 811.4366 1.4E3 864.5006 2.3E3 875.5023 9.5E3 876.5036 2.8E3 892.4960 1.5E4 893.4991 2.4E3 963.5338 3.8E3 964.5350 1.2E3 1000.5908 1.2E3 1063.6267 1.4E3 1064.5925 2.1E3 1064.6376 2.2E3 END IONS BEGIN IONS FEATURE_ID=469 PEPMASS=1064.7217 SCANS=469 RTINSECONDS=2311.838 CHARGE=1+ MSLEVEL=2 86.0969 1.5E3 227.1754 1.6E3 243.1336 2.4E3 352.2484 1.2E3 356.2173 2.7E3 374.2282 2.9E3 465.3308 2.5E3 469.3014 4.9E3 483.3423 2.6E3 487.3126 1.8E3 560.4062 1.3E3 578.4150 3.8E3 582.3846 3.7E3 596.4257 7.2E3 600.3962 3.6E3 673.4915 1.1E3 691.4998 2.3E3 695.4706 1.4E3 709.5106 5.4E3 713.4798 3.1E4 714.4836 3.7E3 725.4691 3.0E3 793.5323 1.1E3 820.5416 1.9E3 838.5531 7.2E3 933.6276 1.5E3 951.6364 7.4E3 1032.6923 2.3E3 1036.7269 5.3E3 1046.7106 3.3E3 1064.7207 2.4E4 1065.7225 4.9E3 END IONS BEGIN IONS FEATURE_ID=470 PEPMASS=1064.7236 SCANS=470 RTINSECONDS=2355.799 CHARGE=1+ MSLEVEL=2 86.0965 7.7E3 192.1237 1.0E3 199.1802 2.9E3 217.1190 2.1E3 227.1749 8.2E3 229.1180 3.7E3 245.1853 4.9E3 340.2589 5.5E3 342.2017 1.2E4 358.2693 1.3E3 360.2122 7.0E3 366.2632 9.1E3 384.2735 8.2E3 409.2797 5.0E3 410.2640 1.1E3 427.2908 2.7E3 428.2749 1.2E3 437.2752 7.3E3 455.2857 4.8E4 456.2897 3.1E3 471.3533 1.7E3 473.2964 8.9E3 479.3471 1.3E4 480.3501 1.1E3 497.3578 2.2E4 498.3605 1.1E3 499.3007 1.6E3 515.3687 2.4E3 522.3639 5.6E3 523.3477 1.8E3 540.3746 4.8E3 550.3590 5.9E3 560.4053 1.3E3 566.3790 1.2E3 568.3696 2.2E4 569.3735 2.7E3 574.4205 3.4E3 582.4469 3.2E3 586.3802 1.5E4 587.3835 1.7E3 592.4310 1.5E4 593.4346 1.9E3 594.3750 1.6E3 610.4416 4.0E4 611.4457 4.7E3 612.3842 4.0E3 635.4488 1.1E3 653.4590 2.0E3 663.4433 1.4E3 679.4633 4.1E3 681.4533 1.8E4 682.4579 2.6E3 687.5033 1.7E3 695.5308 2.0E3 697.4724 1.9E3 699.4641 1.7E5 700.4674 2.0E4 705.5153 7.7E3 707.4584 5.2E3 723.5252 2.8E4 724.5280 3.9E3 725.4682 1.3E4 726.4728 1.6E3 792.5460 4.1E3 793.5292 4.6E3 802.5310 2.2E3 808.6143 2.1E3 810.5591 1.6E3 818.5994 1.2E3 820.5416 1.2E4 821.5452 1.7E3 836.6091 1.1E4 837.6133 1.6E3 838.5524 1.5E4 839.5557 2.4E3 848.5367 1.4E3 905.6313 6.2E3 906.6115 3.5E3 915.6169 1.4E3 923.6426 3.6E3 933.6260 1.4E4 934.6300 2.7E3 949.6912 1.0E3 951.6362 3.6E4 952.6394 6.3E3 1018.7151 2.9E3 1019.6978 3.3E3 1020.7059 1.1E3 1028.6984 1.8E3 1032.6954 1.9E3 1036.7256 1.8E4 1037.7272 3.3E3 1046.7100 2.3E4 1047.7131 5.2E3 1064.7208 1.1E5 1065.7236 2.9E4 END IONS BEGIN IONS FEATURE_ID=471 PEPMASS=1064.7250 SCANS=471 RTINSECONDS=2408.6 CHARGE=1+ MSLEVEL=2 86.0965 8.4E3 192.1239 1.1E3 199.1803 2.5E3 201.1228 1.1E3 217.1194 1.8E3 227.1754 9.9E3 229.1179 3.6E3 245.1856 6.0E3 326.2431 5.1E3 328.1858 5.1E3 340.2592 1.8E3 342.2022 5.5E3 360.2122 7.6E3 366.2632 2.1E3 380.2791 7.6E3 395.2649 4.5E3 398.2899 3.9E3 409.2807 1.5E3 413.2752 2.3E3 423.2593 5.0E3 437.2751 2.0E3 441.2701 3.3E4 442.2738 2.4E3 455.2856 1.4E4 457.3373 1.0E3 459.2803 6.6E3 473.2962 3.1E3 479.3480 2.3E3 483.3780 1.1E3 493.3629 1.1E4 497.3579 4.3E3 508.3488 5.9E3 511.3733 1.7E4 512.3768 1.8E3 522.3646 1.6E3 526.3585 3.7E3 529.3840 1.3E3 536.3436 4.9E3 550.3586 1.8E3 554.3535 1.6E4 555.3572 1.7E3 568.3694 6.3E3 572.3644 6.7E3 574.4181 1.2E3 580.3962 1.3E3 586.3803 7.0E3 588.4360 5.0E3 592.4311 4.0E3 596.4611 2.5E3 606.4467 1.3E4 607.4501 1.4E3 610.4416 1.0E4 624.4573 3.3E4 625.4608 3.5E3 626.4006 2.6E3 627.4677 1.3E3 639.4427 1.9E3 649.4286 1.5E3 667.4375 1.5E4 668.4409 1.7E3 681.4539 3.8E3 685.4485 1.5E5 686.4518 1.8E4 687.5043 4.7E3 693.4796 2.0E3 699.4639 3.6E4 700.4676 5.5E3 705.5156 1.0E4 706.5194 2.3E3 707.4581 2.2E3 709.5456 1.1E3 711.4874 1.3E3 713.4806 1.0E3 719.5323 1.2E3 721.4739 4.0E3 723.5255 2.3E4 724.5265 3.1E3 725.4673 4.2E3 737.5418 2.9E3 739.4844 1.0E4 740.4867 1.3E3 792.5465 1.8E3 793.5308 3.5E3 802.5317 2.6E3 806.5640 1.3E3 808.6140 1.0E3 818.5975 2.5E3 820.5418 9.3E3 821.5444 1.5E3 834.5558 3.2E3 836.6083 1.2E4 837.6135 1.9E3 838.5526 1.1E4 839.5557 1.2E3 850.6263 1.9E3 852.5677 4.0E3 887.6207 1.2E3 905.6321 6.3E3 906.6179 4.2E3 915.6140 2.2E3 923.6421 1.2E3 933.6257 1.6E4 934.6334 2.6E3 937.6564 1.2E3 947.6399 1.7E3 949.6942 1.8E3 951.6364 3.0E4 952.6405 6.1E3 965.6522 7.3E3 966.6556 1.4E3 1018.7150 3.5E3 1019.6989 3.9E3 1020.7038 1.3E3 1028.6997 1.9E3 1036.7255 1.7E4 1037.7290 3.8E3 1046.7098 2.9E4 1047.7144 7.7E3 1064.7207 1.4E5 1065.7238 3.2E4 END IONS BEGIN IONS FEATURE_ID=472 PEPMASS=1064.7231 SCANS=472 RTINSECONDS=2435.508 CHARGE=1+ MSLEVEL=2 73.7061 1.7E3 74.3978 1.5E3 75.3896 1.8E3 75.7695 1.8E3 76.8170 1.6E3 83.9270 2.1E3 84.0446 2.6E3 85.0936 2.0E3 86.0949 3.5E3 86.0968 4.8E4 86.1202 1.9E3 88.4963 1.8E3 91.5828 1.8E3 92.2274 1.8E3 97.2230 1.7E3 115.7679 1.7E3 116.1127 1.8E3 123.5576 1.8E3 126.1434 1.7E3 130.0495 3.3E3 180.8520 2.2E3 183.1126 3.2E3 185.1645 3.8E3 185.8535 1.9E3 199.1807 1.0E4 201.1229 8.1E3 211.0022 3.8E3 213.1594 6.0E3 227.1751 5.7E4 229.1181 2.3E4 231.1700 2.7E3 243.1329 4.0E3 245.1856 3.2E4 268.2636 2.4E3 281.2219 2.7E3 281.6248 1.9E3 283.1642 3.6E3 283.2011 4.4E3 283.9315 1.9E3 293.1848 2.0E3 295.2369 2.1E3 296.1962 5.5E3 297.1805 4.1E3 299.8817 1.9E3 300.0850 2.1E3 300.1917 2.1E3 311.1964 5.3E3 324.1900 3.0E3 326.2433 3.4E4 327.2466 2.5E3 328.1857 4.1E4 338.2070 2.7E3 339.2777 2.0E3 340.2597 3.4E3 342.2014 2.7E4 344.2548 5.0E3 358.2684 4.8E3 360.2121 4.7E4 364.3181 2.3E3 370.2938 2.2E3 380.2788 5.7E4 381.2822 6.0E3 392.2542 2.8E3 394.1964 2.1E3 395.2648 3.0E4 396.2486 7.3E3 396.2664 1.8E3 398.2896 4.5E4 399.2928 2.9E3 399.3572 1.1E4 400.3586 2.0E3 406.5435 2.1E3 408.2125 2.3E3 409.2807 3.1E3 411.3315 2.8E3 413.2749 1.2E4 414.2606 5.0E3 414.2768 2.1E3 423.2594 3.8E4 426.2233 2.1E3 426.3250 2.3E3 427.2899 4.2E3 437.2746 7.1E3 439.3274 2.8E3 441.2701 2.6E5 442.2736 1.9E4 447.3563 2.7E3 455.2854 3.1E4 457.3374 1.2E4 459.2808 4.2E4 460.2840 3.0E3 469.2660 2.8E3 473.2964 4.9E3 475.3522 1.2E4 483.3783 7.7E3 493.3627 7.6E4 494.3665 9.3E3 495.3054 3.7E3 507.2796 4.4E3 508.3485 4.0E4 509.3327 1.1E4 511.3734 1.1E5 512.3770 1.4E4 512.4419 3.0E3 513.3159 9.9E3 525.2918 6.5E3 526.3589 3.0E4 527.3429 3.5E3 527.3634 2.9E3 529.3836 1.4E4 536.3432 4.3E4 537.3477 3.0E3 550.3595 5.4E3 552.3024 6.8E3 554.3535 1.3E5 555.3569 1.1E4 560.4422 2.4E3 568.3690 1.6E4 570.4210 7.8E3 572.3641 5.4E4 573.3684 4.4E3 578.4515 5.8E3 580.3951 5.6E3 586.3799 2.8E4 588.4357 2.8E4 589.4375 3.3E3 592.4321 4.7E3 596.4623 1.9E4 596.7806 2.5E3 606.4467 9.5E4 607.4495 1.0E4 608.3898 7.4E3 610.4413 8.2E3 616.7075 2.5E3 621.4318 6.5E3 622.4158 5.2E3 624.4570 2.1E5 625.4608 2.5E4 626.4003 2.3E4 627.4695 6.3E3 638.3771 2.9E3 639.4417 1.6E4 640.4243 3.9E3 647.9002 2.7E3 649.4290 1.1E4 665.3853 3.4E3 667.4380 1.2E5 668.4420 1.3E4 679.4621 2.7E3 685.4482 1.1E6 686.4516 1.4E5 687.5038 2.0E4 692.5204 2.3E3 693.4800 9.3E3 695.5315 3.0E3 699.4630 9.8E3 703.4614 4.1E3 705.5153 6.1E4 706.5185 8.8E3 707.4589 8.0E3 709.5470 7.4E3 711.4894 6.9E3 719.5321 6.1E3 721.4741 3.0E4 722.4780 2.6E3 723.5252 1.5E5 724.5286 2.0E4 725.4685 6.8E3 726.5378 4.5E3 737.5405 3.0E4 739.4836 6.9E4 740.4886 9.3E3 754.5671 3.0E3 765.5351 4.4E3 774.5362 4.3E3 778.4709 3.2E3 792.5475 1.0E4 793.5311 1.8E4 796.4803 2.8E3 802.5310 1.8E4 803.5377 3.8E3 805.6069 3.0E3 806.5605 9.9E3 807.5440 2.7E3 808.6146 5.7E3 810.5571 4.5E3 816.5471 5.5E3 818.5990 1.4E4 819.6006 2.9E3 820.5414 5.1E4 821.5452 1.1E4 822.6323 3.1E3 823.6329 2.3E3 824.5717 3.4E3 834.5578 2.1E4 835.5582 2.7E3 836.6094 6.8E4 837.6118 1.2E4 838.5518 5.9E4 839.5562 1.1E4 850.6250 8.2E3 851.6268 3.5E3 852.5682 2.8E4 853.5702 5.8E3 875.7720 2.5E3 881.9294 2.4E3 887.6177 6.3E3 888.6061 2.9E3 904.6719 5.7E3 905.6306 4.5E4 906.6129 2.1E4 907.6157 4.2E3 915.6151 1.7E4 923.6420 9.1E3 930.6193 3.0E3 933.6262 7.7E4 934.6302 1.8E4 935.6782 2.4E3 937.6569 8.9E3 947.6398 1.7E4 948.6433 3.3E3 949.6931 1.0E4 951.6359 1.6E5 952.6390 2.9E4 959.6769 2.9E3 961.6199 2.8E3 965.6519 5.4E4 966.6541 1.5E4 1001.6843 3.7E3 1018.7153 1.9E4 1019.6982 1.9E4 1020.7013 4.4E3 1028.6997 1.3E4 1029.7003 6.0E3 1036.7256 1.2E5 1037.7297 2.7E4 1046.7100 1.8E5 1047.7131 4.8E4 1064.7203 8.9E5 1065.7234 2.1E5 END IONS BEGIN IONS FEATURE_ID=473 PEPMASS=1067.7333 SCANS=473 RTINSECONDS=2076.46 CHARGE=1+ MSLEVEL=2 86.0946 1.0E3 86.0966 1.1E4 89.0599 1.4E3 99.2992 1.4E3 99.3005 1.5E3 115.0754 1.3E3 117.0908 4.5E3 133.0858 1.5E3 175.1323 2.5E3 199.1808 4.0E3 199.9458 1.0E3 201.1230 2.3E3 209.5439 2.9E3 227.1753 1.8E4 229.1182 7.5E3 243.1330 1.0E3 245.1855 9.0E3 295.2375 1.2E3 296.1959 1.1E3 324.1912 1.5E3 324.2161 1.1E4 325.2205 1.1E3 340.2591 9.9E3 342.2017 2.1E4 342.2263 4.9E3 343.2949 2.2E3 358.2689 3.1E3 360.2122 9.5E3 366.2630 1.5E3 370.1962 1.4E3 409.2801 8.1E3 410.2638 1.3E3 419.2888 2.3E3 423.2957 1.4E3 427.2903 2.9E3 427.3165 2.1E3 428.2739 1.9E3 437.2760 1.4E4 437.3001 2.2E4 441.2695 1.7E3 451.2904 1.5E3 455.2855 8.6E4 455.3108 3.3E4 456.2893 6.5E3 456.3137 2.2E3 457.2542 2.6E3 471.3534 4.0E3 473.2962 2.1E4 473.3210 9.5E3 497.3579 1.8E3 504.3784 1.5E3 508.3722 1.5E3 521.2958 2.4E3 522.3643 1.7E4 522.3884 1.4E3 523.3483 2.3E3 523.3684 1.5E3 524.3319 2.5E3 532.3737 1.3E4 539.3076 1.3E3 540.3746 1.1E4 540.3998 5.1E3 550.3591 1.6E4 550.3842 4.0E4 551.3624 2.1E3 551.3875 4.4E3 552.3266 4.8E3 566.3172 2.8E3 568.3695 4.9E4 568.3947 1.0E5 569.3726 4.2E3 569.3981 8.9E3 570.3378 1.0E4 571.4053 1.9E3 584.4357 3.5E3 586.3799 3.3E4 587.3834 3.5E3 610.4430 1.1E3 619.4034 1.0E3 635.4472 2.5E3 636.4296 1.1E3 637.4142 4.6E3 645.4581 8.6E3 646.4623 1.8E3 653.4574 4.1E3 653.4844 2.6E3 654.4418 1.1E3 655.4254 3.9E3 663.4413 3.1E3 663.4679 3.1E4 664.4714 5.0E3 665.4113 1.5E4 667.4377 1.1E3 667.4636 1.0E3 679.4009 1.6E3 681.4531 4.3E4 681.4791 7.2E4 682.4562 5.0E3 682.4824 8.4E3 683.4218 3.3E4 684.4248 3.6E3 685.4474 6.8E3 686.4517 1.4E3 691.4620 1.2E3 693.4075 1.6E3 698.5061 1.2E3 699.4640 5.8E5 700.4676 6.8E4 715.4583 1.1E3 716.4667 1.2E3 732.4865 1.8E3 733.4725 1.1E3 750.5008 7.2E3 751.4834 8.5E3 760.4831 8.2E3 766.5692 1.5E3 768.5089 2.2E3 776.5516 4.8E3 778.4946 3.4E4 779.4966 5.6E3 794.5627 2.9E4 795.5663 4.1E3 796.5055 4.2E4 797.5082 7.0E3 804.5472 1.4E3 806.4890 1.9E3 823.5057 1.9E3 845.5732 6.0E3 863.5837 2.4E4 864.5690 7.6E3 873.5681 6.6E3 874.5722 1.1E3 881.5938 5.5E3 891.5786 5.9E4 892.5814 7.8E3 907.6446 5.9E3 908.6513 1.2E3 909.5893 1.2E5 910.5922 2.2E4 917.6342 2.1E3 919.5739 2.4E3 935.6406 1.7E3 937.5854 1.4E3 949.5475 1.0E3 976.6677 8.7E3 977.6506 9.4E3 986.6522 8.8E3 987.6548 1.7E3 994.5646 1.0E3 994.6788 6.0E4 995.6816 1.1E4 1004.6631 1.4E5 1005.6667 3.1E4 1008.6575 2.4E3 1009.6592 1.2E3 1022.6734 7.1E5 1023.6768 1.6E5 1032.6575 1.9E3 1048.6913 2.3E3 1049.6923 4.0E3 1066.6373 2.2E3 1066.6998 2.2E3 1067.5811 1.4E3 1067.6387 2.1E3 1067.7014 3.4E3 1068.7072 1.4E3 END IONS BEGIN IONS FEATURE_ID=474 PEPMASS=1067.7328 SCANS=474 RTINSECONDS=2146.153 CHARGE=1+ MSLEVEL=2 74.6824 5.3E3 82.3717 6.0E3 82.9389 5.2E3 83.9099 5.2E3 86.0948 1.0E4 86.0965 8.7E4 86.2726 9.6E3 90.2792 7.0E3 91.7275 5.4E3 92.9546 5.2E3 93.8189 5.2E3 95.8521 5.6E3 96.8759 5.4E3 97.0154 5.3E3 98.5424 8.4E3 98.5436 7.4E3 104.0182 6.0E3 106.4532 6.8E3 112.4672 5.4E3 113.8020 6.9E3 114.9182 5.3E3 124.8382 6.7E3 125.7977 6.0E3 138.9022 6.7E3 144.2751 5.7E3 153.9400 5.3E3 159.5814 5.5E3 162.1018 5.4E3 172.9057 6.0E3 182.5447 5.2E3 183.1130 6.3E3 199.1802 2.0E4 201.1224 1.8E4 201.6564 5.1E3 207.2301 2.4E4 227.1750 1.1E5 229.1181 5.1E4 231.1696 6.6E3 243.1332 9.5E3 245.1858 6.1E4 253.0780 6.2E3 259.0979 7.6E3 281.2218 9.5E3 286.1395 7.0E3 295.2376 9.5E3 296.1958 7.4E3 297.1801 7.3E3 305.4954 6.1E3 323.8746 6.8E3 326.2429 7.9E4 328.1859 9.2E4 338.2319 1.2E5 342.2015 6.4E4 344.2535 1.4E4 356.2423 6.7E4 357.3099 2.0E4 358.2686 1.5E4 358.2942 7.8E3 360.2123 1.1E5 395.2645 6.4E4 396.2491 1.0E4 405.3100 7.0E3 409.2806 1.8E4 413.2744 2.6E4 414.2589 1.0E4 423.2595 8.9E4 423.3201 1.2E4 425.7762 6.7E3 427.2898 6.4E3 433.3045 1.7E4 437.2747 3.0E4 441.2700 7.2E5 441.3318 1.4E4 442.2734 4.2E4 449.3861 6.7E3 449.8550 6.2E3 451.2525 8.0E3 451.3160 1.7E5 452.3186 1.2E4 455.2851 7.6E4 457.3375 1.9E4 459.2805 1.3E5 469.3266 2.9E5 470.3298 1.7E4 470.3943 8.6E3 471.2676 1.7E4 471.3539 7.9E3 473.2956 1.4E4 479.6119 7.3E3 487.3365 6.9E4 488.3424 7.8E3 491.1863 1.0E4 507.2794 1.9E4 508.3488 1.1E5 509.3329 1.1E4 509.3522 8.5E3 518.3935 9.1E3 526.3589 8.7E4 527.3437 1.2E4 527.3627 8.0E3 536.3434 1.6E5 536.4062 6.8E3 537.3464 2.1E4 538.3487 1.2E4 544.4780 7.7E3 546.3891 9.2E4 547.3919 1.0E4 552.3009 1.9E4 554.3537 3.8E5 554.4142 4.8E4 555.3568 4.1E4 556.3596 7.0E3 564.3997 3.1E5 565.4031 2.5E4 566.3427 1.2E4 568.3696 4.0E4 568.3950 1.6E4 570.4197 1.6E4 572.3640 1.6E5 573.3690 9.4E3 582.4101 7.5E5 583.4138 7.8E4 584.3519 5.5E4 585.3564 6.5E3 585.4205 1.4E4 586.3802 6.8E4 596.2070 6.3E3 600.4213 8.9E3 601.0889 7.0E3 621.4318 1.8E4 638.3753 1.1E4 639.4424 5.1E4 645.4575 8.0E4 646.4608 6.4E3 649.4260 4.7E4 650.4345 6.3E3 651.4313 2.9E4 653.4848 1.3E4 661.4170 8.7E3 663.4678 2.8E5 664.4715 3.9E4 665.3859 1.1E4 665.4123 1.4E4 667.4377 4.9E5 667.4996 2.5E4 668.4409 5.1E4 669.4415 3.2E4 671.4310 1.9E4 677.4840 1.6E4 679.4271 8.4E4 680.4299 1.1E4 681.4788 6.0E5 682.4818 7.5E4 683.4206 1.7E4 684.4902 8.8E3 685.4482 4.9E6 686.4516 5.2E5 695.4944 8.2E4 696.4980 8.7E3 697.4370 2.9E5 698.4409 3.2E4 699.4620 8.4E3 705.4794 8.3E3 712.5209 1.2E4 731.9953 6.3E3 732.4883 1.0E4 733.4718 8.1E3 740.5349 7.4E3 750.5005 3.5E4 751.4840 5.6E4 752.4879 1.3E4 752.8718 7.1E3 760.4847 4.9E4 761.4874 8.0E3 764.5160 2.7E4 766.5676 1.2E4 768.5106 1.3E4 774.4982 1.4E4 776.5516 4.5E4 778.4948 2.0E5 779.4995 3.3E4 780.5437 7.2E3 782.5267 1.5E4 786.2950 6.5E3 790.5682 7.9E3 792.5112 7.4E4 794.5622 2.0E5 795.5649 2.9E4 796.5055 3.0E5 797.5079 3.6E4 808.5786 2.9E4 810.5212 1.1E5 811.5223 1.2E4 820.5018 7.7E3 845.5734 3.5E4 846.5713 9.0E3 862.6223 2.3E4 863.5836 2.0E5 864.5656 8.2E4 865.5729 1.1E4 873.5661 5.6E4 874.5699 8.3E3 881.5919 2.7E4 889.6361 1.3E4 891.5783 4.3E5 892.5823 6.0E4 895.6108 2.2E4 905.5952 5.5E4 906.5998 8.3E3 907.6462 3.7E4 908.6514 9.8E3 909.5893 7.4E5 910.5928 1.4E5 919.5741 1.7E4 923.6049 2.0E5 924.6077 2.7E4 937.5870 1.1E4 959.6385 7.7E3 976.6686 6.5E4 977.6509 8.4E4 978.6558 1.7E4 986.6519 7.5E4 987.6520 1.8E4 994.6790 4.3E5 995.6816 8.2E4 1004.6627 1.1E6 1005.6662 2.4E5 1022.6732 5.9E6 1023.6761 1.2E6 1067.6382 8.8E3 END IONS BEGIN IONS FEATURE_ID=475 PEPMASS=1067.7330 SCANS=475 RTINSECONDS=2247.615 CHARGE=1+ MSLEVEL=2 441.2704 5.2E3 455.2855 1.2E3 465.3315 1.6E3 483.3424 2.7E3 508.3488 1.3E3 536.3444 1.2E3 554.3538 2.3E3 560.4052 1.2E3 564.3994 1.4E3 572.3636 1.1E3 578.4146 2.4E3 582.4099 3.6E3 586.3788 1.2E3 596.4262 4.8E3 653.4216 2.7E3 667.4370 2.2E3 671.4330 2.9E4 672.4369 4.3E3 677.4840 2.8E3 681.4781 1.4E3 685.4486 1.6E4 686.4530 2.3E3 695.4944 6.0E3 697.4365 1.7E3 699.4641 8.4E3 700.4667 1.7E3 792.5098 1.3E3 810.5210 2.2E3 824.5344 1.4E3 863.5826 1.2E3 891.5768 1.9E3 905.5917 1.7E3 909.5908 2.1E3 923.6041 4.7E3 937.6185 1.7E3 994.6768 3.0E3 1004.6633 8.4E3 1005.6688 2.0E3 1018.6758 1.7E3 1022.6734 4.6E4 1023.6769 9.6E3 1032.6935 1.9E3 1036.6902 6.0E3 1037.6896 1.5E3 1050.7057 9.8E3 1051.7115 2.8E3 END IONS BEGIN IONS FEATURE_ID=476 PEPMASS=1068.6802 SCANS=476 RTINSECONDS=1751.879 CHARGE=1+ MSLEVEL=2 86.0966 4.6E3 201.1231 1.4E3 227.1754 6.6E3 229.1177 2.7E3 245.1860 3.4E3 294.1695 2.0E3 312.1798 1.7E3 326.2437 3.0E3 328.1865 4.5E3 338.1956 1.9E3 342.2020 3.2E3 350.2320 1.8E3 360.2125 4.6E3 368.2419 2.2E3 395.2646 2.9E3 407.2537 2.5E3 414.2598 1.2E3 423.2597 4.0E3 425.2643 3.1E3 441.2702 2.7E4 442.2740 2.4E3 451.2795 1.6E3 455.2857 5.3E3 456.2885 1.1E3 459.2803 4.4E3 463.3160 2.9E3 469.2898 1.3E3 473.2964 1.1E3 481.3268 4.0E3 499.3374 1.4E3 508.3480 4.0E3 520.3379 2.7E3 526.3590 2.6E3 536.3436 5.4E3 538.3474 3.3E3 554.3541 1.1E4 564.3643 2.1E3 566.4146 1.4E3 568.3698 2.5E3 568.5282 1.2E3 572.3647 5.8E3 576.3988 4.5E3 582.3748 1.2E3 586.3805 2.4E3 592.3933 1.0E3 594.4104 1.0E4 596.3533 1.1E3 610.4053 2.8E3 619.4066 1.0E3 628.4163 4.7E3 637.4163 2.8E3 639.4418 1.1E3 651.4321 1.2E3 653.3722 1.1E3 657.4582 1.5E3 663.4330 1.4E3 667.4379 1.4E4 668.4417 2.2E3 675.4680 3.9E3 681.4157 1.6E3 685.4487 1.4E5 686.4518 2.2E4 687.4551 1.7E3 691.4250 1.6E3 693.4792 9.3E3 694.4808 1.1E3 699.4273 1.8E3 699.4638 3.7E3 700.4676 5.4E3 701.4711 1.4E3 707.4953 2.2E3 708.4982 2.0E3 709.4374 4.8E3 709.4736 1.5E3 710.4395 1.4E3 725.4335 1.5E3 727.4853 2.5E3 734.4328 1.2E3 750.5002 1.0E3 752.4431 1.9E3 776.5153 1.1E3 790.4944 2.5E3 806.5601 2.8E3 808.5060 3.4E3 822.5228 1.8E3 824.5010 1.3E3 847.5184 1.2E3 865.5276 1.9E3 875.5854 2.5E3 879.5428 1.2E3 885.5678 1.5E3 903.5796 6.3E3 905.5571 1.3E3 921.5897 9.5E3 922.5391 1.9E3 922.5914 1.7E3 935.6027 2.7E3 936.6091 2.3E3 937.5818 3.2E3 950.6196 1.6E3 951.6007 1.5E3 955.5945 3.3E3 960.6013 1.5E3 978.6111 5.5E3 979.6149 1.0E3 998.6501 1.5E3 1004.6255 6.5E3 1005.6304 1.7E3 1006.6819 3.6E3 1016.6633 1.6E4 1017.6652 3.2E3 1022.6345 6.9E3 1023.6460 1.5E3 1031.6829 3.4E3 1032.6514 2.4E3 1034.6738 6.9E4 1035.6766 1.4E4 1040.6846 5.7E3 1049.6931 1.4E4 1050.6710 9.4E3 1051.6683 3.8E3 1067.5988 2.3E3 1067.7067 1.6E3 1068.6791 4.5E4 1069.6838 7.9E3 END IONS BEGIN IONS FEATURE_ID=477 PEPMASS=1068.7167 SCANS=477 RTINSECONDS=2056.259 CHARGE=1 MSLEVEL=2 86.0948 1.1E3 86.0967 1.2E4 87.0443 1.4E3 89.0599 2.2E3 102.0551 1.4E3 115.0755 2.5E3 117.0912 5.7E3 133.0861 2.4E3 146.1172 3.8E3 168.1066 1.0E3 175.1329 3.0E3 177.1118 1.6E3 199.1807 3.8E3 201.1230 1.1E3 213.1595 1.5E3 227.1751 1.9E4 229.1181 4.5E3 233.1747 1.7E3 245.1855 1.9E3 259.2012 6.7E3 281.2225 1.4E3 298.2488 1.6E3 326.2432 1.5E4 328.1859 1.8E4 342.2014 3.4E3 342.2635 1.9E3 344.2535 3.7E3 352.2477 4.3E3 356.2177 1.0E3 370.2582 3.7E4 371.2617 2.8E3 374.2279 8.6E3 384.2737 1.8E3 395.2646 3.5E3 413.2750 3.4E3 423.2593 4.2E3 441.2701 1.2E5 442.2736 9.0E3 455.2856 7.4E3 455.3472 1.7E3 459.2802 1.7E3 465.3315 9.5E3 469.3269 2.1E3 473.2964 1.7E4 483.3422 1.4E5 484.3457 1.1E4 497.3578 4.2E3 508.3490 2.8E3 526.3588 5.7E3 536.3432 3.3E3 554.3539 2.1E4 555.3572 2.3E3 560.4042 1.1E3 568.3703 3.0E3 568.3936 1.0E3 568.4300 4.6E3 572.3644 5.1E3 578.4154 1.4E4 579.4209 1.4E3 582.4108 2.0E3 586.3802 1.2E4 596.4259 1.6E5 597.4291 1.9E4 610.4417 7.2E3 611.4445 1.0E3 649.4515 1.0E3 665.4485 1.7E3 667.4388 5.2E3 667.4653 1.1E3 667.4977 3.9E3 677.4832 8.5E3 678.4863 1.3E3 681.4534 1.2E4 682.4568 1.4E3 685.4489 1.8E4 686.4521 4.0E3 695.4944 7.3E4 696.4977 9.5E3 699.4639 1.4E5 700.4672 2.1E4 709.5095 1.8E3 711.4515 1.1E3 764.5146 3.6E3 792.5105 9.3E3 810.5213 5.4E3 824.5370 1.4E3 895.5722 1.9E3 905.5955 2.8E3 923.6053 1.1E4 924.6082 2.9E3 990.6472 1.3E3 1008.6589 1.1E4 1009.6597 2.8E3 1010.6618 1.1E3 1034.6700 1.8E3 1036.6879 1.1E3 1050.7061 1.3E3 1052.6851 1.1E3 1068.5837 2.0E3 END IONS BEGIN IONS FEATURE_ID=478 PEPMASS=1069.7126 SCANS=478 RTINSECONDS=2035.887 CHARGE=1+ MSLEVEL=2 87.0442 1.9E3 89.0598 3.1E3 99.0804 1.4E3 115.0755 2.1E3 117.0911 9.0E3 124.0804 1.5E3 133.0858 3.3E3 168.1065 1.6E3 175.1327 5.7E3 177.1121 2.2E3 227.1749 2.0E3 233.1747 3.8E3 245.1854 1.3E3 324.2162 1.4E3 328.1856 1.5E3 360.2122 2.1E3 423.2589 1.9E3 437.3004 1.8E3 441.2699 1.1E4 442.2734 1.6E3 455.2855 1.7E3 455.3104 2.7E3 459.2807 1.3E3 473.3220 1.3E3 497.3572 1.4E3 508.3488 1.4E3 536.3441 1.9E3 550.3844 4.6E3 554.3541 4.8E3 568.3942 9.6E3 569.3990 1.3E3 572.3640 2.2E3 586.3804 1.0E3 596.4255 1.1E3 610.4411 1.7E3 631.4416 1.4E3 649.4525 3.3E3 665.4111 1.3E3 667.4377 5.7E3 667.4633 8.2E3 668.4675 1.4E3 681.4784 1.3E3 683.4209 3.1E3 685.4485 7.4E4 686.4518 1.6E4 687.4545 3.1E3 701.4434 1.2E3 764.4807 3.1E3 778.4949 1.1E3 780.5470 3.1E3 782.4894 3.7E3 796.5037 1.0E3 849.5699 2.7E3 859.5566 1.1E3 877.5631 8.0E3 878.5679 1.8E3 891.5807 1.4E3 895.5743 1.0E4 896.5778 3.2E3 909.5903 2.3E3 972.6368 1.2E3 980.6629 5.9E3 981.6653 1.6E3 990.6473 1.8E4 991.6501 5.3E3 1008.6578 9.7E4 1009.6609 2.9E4 1010.6635 6.8E3 1011.6651 2.5E3 1034.6742 3.3E3 1051.6719 1.1E3 1052.6832 4.6E3 1053.6882 1.4E3 1068.5931 2.0E3 1069.5968 2.3E3 END IONS BEGIN IONS FEATURE_ID=479 PEPMASS=1070.6412 SCANS=479 RTINSECONDS=1791.007 CHARGE=1+ MSLEVEL=2 86.0967 7.0E3 123.4086 1.0E3 166.0531 1.6E4 167.8799 1.0E3 199.1804 1.7E3 217.2494 1.8E3 227.1750 4.7E3 229.1177 1.2E3 254.7003 1.0E3 261.1257 1.0E3 265.1211 1.0E3 279.1365 1.6E4 289.1202 1.5E3 326.2433 4.6E3 328.1859 5.0E3 342.2021 1.8E3 352.2480 8.3E3 358.1411 1.1E3 370.2579 2.2E3 376.1529 8.0E3 392.2208 1.0E3 394.1632 1.7E4 395.1661 1.3E3 395.2644 4.5E3 404.7508 1.0E3 405.2773 5.1E3 423.2592 5.7E3 441.2700 2.9E4 442.2728 2.6E3 447.3212 3.1E3 448.2114 1.1E3 455.2852 4.2E3 457.2120 1.2E3 465.3313 1.3E4 475.2215 9.3E3 483.3412 7.8E3 484.3459 1.0E3 489.2974 2.2E3 491.2892 2.3E3 493.2318 1.3E4 499.2827 1.7E3 507.2498 1.3E3 508.3486 4.2E3 517.2933 2.1E4 518.2955 1.2E3 524.3057 1.1E3 526.3592 5.2E3 535.3034 9.1E3 536.3420 4.6E3 550.4208 1.0E3 552.3013 1.1E3 554.3537 1.4E4 555.3582 1.1E3 560.4048 7.3E3 561.2947 1.3E3 566.3786 3.8E3 578.4152 1.7E4 588.3047 6.0E3 596.4258 1.8E4 597.4303 2.2E3 598.3665 1.1E3 602.3202 3.2E3 602.3806 4.5E3 604.3721 1.2E3 606.3159 1.2E4 612.3660 3.7E3 616.2975 1.0E3 620.3309 6.1E3 630.3771 3.6E4 631.3795 4.6E3 635.5427 1.1E3 637.3898 4.3E3 647.4032 1.9E3 655.4020 1.4E4 659.4728 4.2E3 663.3948 1.4E3 677.4832 1.3E4 678.4858 2.3E3 679.4641 1.3E3 681.4063 2.3E3 683.3779 1.6E3 685.4477 2.0E3 686.4502 5.2E3 687.4533 1.5E3 695.4937 1.7E4 696.4947 2.0E3 698.4385 1.2E3 699.3975 1.8E3 701.3888 2.5E4 702.3915 2.0E3 715.4652 2.9E3 717.4064 2.3E3 719.3993 2.9E5 720.4026 3.2E4 725.4519 2.3E3 727.3940 7.8E3 743.4612 1.3E4 744.4605 1.7E3 745.4036 2.7E4 746.4077 3.4E3 755.3898 1.2E3 760.4877 1.4E3 771.4576 1.0E3 774.4989 3.3E3 792.5107 4.9E3 794.4874 1.2E3 798.4645 1.1E3 799.4504 4.9E3 810.5212 3.7E3 811.5226 1.8E3 812.4805 2.0E3 813.4656 1.4E3 814.5353 2.4E3 824.5148 4.0E3 826.4606 3.9E3 828.5483 1.1E3 840.4778 6.9E3 842.5287 2.7E4 843.5328 3.0E3 844.4720 8.8E3 845.4753 2.5E3 854.4569 1.0E3 856.5430 5.3E3 858.4888 9.6E3 859.4945 1.1E3 875.5464 3.0E3 893.5495 1.5E3 905.5946 5.7E3 907.5745 2.0E3 910.5936 1.8E3 911.5502 1.3E4 912.5328 6.2E3 913.5363 1.3E3 921.5363 3.2E3 923.6049 9.3E3 924.5477 1.1E3 929.5568 1.3E3 939.5452 2.6E4 940.5533 5.1E3 943.5760 2.3E3 953.5603 8.1E3 954.5602 1.2E3 955.6154 2.8E3 957.5558 3.0E4 958.5590 5.1E3 967.5403 2.3E3 970.6219 1.0E3 971.5713 2.4E4 972.5766 4.3E3 978.6473 4.1E3 988.6313 1.1E4 989.6342 1.6E3 1006.6419 4.5E4 1007.6475 8.7E3 1024.6343 7.4E3 1025.6208 6.7E3 1034.6200 5.0E3 1035.6224 1.3E3 1042.6454 4.2E4 1043.6487 1.0E4 1052.6296 6.7E4 1053.6327 1.4E4 1069.6825 2.5E3 1070.6400 4.3E5 1071.6432 1.1E5 END IONS BEGIN IONS FEATURE_ID=480 PEPMASS=1070.6415 SCANS=480 RTINSECONDS=1875.637 CHARGE=1+ MSLEVEL=2 74.4523 1.5E3 75.0307 1.4E3 76.3898 1.4E3 76.7672 1.8E3 77.8073 1.4E3 79.0758 1.5E3 79.3487 1.4E3 84.0447 1.6E3 85.7692 1.8E3 85.9849 1.6E3 86.0965 7.6E3 87.1991 1.6E3 89.0598 1.8E3 90.3399 1.6E3 90.4813 1.8E3 91.5062 3.6E3 97.7764 1.4E3 101.5727 1.7E3 104.9105 1.7E3 107.2848 1.8E3 113.6221 1.8E3 114.7167 1.5E3 117.0907 2.2E3 125.4140 1.6E3 126.2933 1.8E3 132.5640 1.9E3 134.5770 1.7E3 136.7919 1.6E3 138.1904 1.7E3 141.8681 1.8E3 142.5207 1.7E3 144.8097 1.5E3 145.4713 1.8E3 149.6429 1.7E3 152.7465 1.6E3 162.8557 1.7E3 166.0528 4.0E3 178.6560 1.8E3 180.1014 4.9E3 183.1122 1.9E3 196.8264 1.6E3 217.2493 2.7E3 219.1161 4.7E3 222.3714 1.7E3 226.2732 1.6E3 227.1745 3.1E3 229.1177 5.6E3 244.0994 5.6E3 245.1857 9.3E3 246.3099 2.0E3 247.1103 7.0E3 261.1263 3.7E4 265.1211 3.1E3 265.6914 1.8E3 279.1364 2.7E3 325.0555 1.9E3 328.1867 5.0E3 332.1989 5.3E3 332.9661 1.9E3 342.2017 4.4E3 352.2475 2.0E4 353.2507 1.7E3 357.4861 1.7E3 358.1941 1.6E3 360.1947 3.7E4 360.2125 6.3E3 361.1987 2.2E3 362.1372 2.7E4 370.2580 7.4E3 371.3260 2.4E3 372.1582 2.9E3 372.8328 1.9E3 375.6296 1.7E3 378.2060 3.6E3 388.6548 1.8E3 406.5131 1.9E3 411.2228 8.7E3 414.2597 4.8E3 429.2158 4.7E3 441.2698 8.2E3 447.2266 4.0E3 447.3209 5.9E3 455.3470 2.2E3 457.2111 1.9E4 459.2810 1.4E4 465.3319 1.9E4 475.2215 1.6E5 476.2245 1.4E4 478.3036 2.0E3 481.2718 1.8E3 483.3425 2.2E4 484.3447 3.1E3 489.2381 8.1E3 491.2914 2.8E3 499.2835 3.2E3 501.3525 3.7E3 502.3637 2.4E3 505.3038 1.9E3 512.4473 1.7E3 517.2939 5.4E3 524.3070 1.4E4 530.3546 1.9E3 541.2310 1.9E3 542.3000 1.5E4 543.2836 3.5E3 548.3702 2.2E3 558.1281 1.8E3 559.2431 4.7E3 560.3109 1.7E4 568.4303 6.0E3 570.2953 1.1E4 578.4158 3.6E3 586.1795 2.0E3 586.2525 7.0E3 588.3053 6.3E4 589.3087 6.1E3 594.3563 2.1E4 596.4262 3.1E4 597.4289 4.9E3 598.3694 8.4E3 599.4373 2.2E3 602.3211 4.4E3 606.3156 3.4E4 607.3185 2.9E3 612.3668 3.6E4 620.3320 9.8E3 630.3776 4.3E4 631.3827 2.8E3 637.3901 1.5E4 638.3928 4.0E3 647.4359 3.3E3 655.4030 3.8E4 656.4041 4.6E3 664.4359 1.9E3 665.4468 6.7E3 672.3260 2.9E3 673.3937 5.2E3 674.9487 1.8E3 683.3797 6.6E3 683.4318 8.4E3 684.4355 3.4E3 686.4521 2.6E3 693.4212 5.1E3 693.4438 5.7E3 695.4957 1.8E3 696.4964 2.2E3 699.3374 2.1E3 701.3896 6.8E4 702.3929 1.1E4 709.5096 5.1E3 711.4333 9.0E3 711.4537 1.6E4 719.3999 6.0E5 720.4033 7.3E4 729.4458 3.5E4 730.4482 4.8E3 737.5033 3.5E3 743.4611 5.2E3 745.4053 2.6E3 746.4993 2.5E3 764.2429 1.8E3 765.5004 8.9E3 776.2930 1.8E3 780.4769 3.1E3 782.5249 2.0E3 792.5117 3.0E3 798.4677 2.3E3 806.5270 2.7E3 808.4517 1.1E4 810.5206 9.0E3 811.5220 2.4E3 814.5356 4.0E3 824.5386 1.0E4 826.4612 2.6E4 827.4673 3.5E3 840.4793 3.8E3 842.5291 2.4E4 843.5339 4.3E3 844.4724 3.6E4 845.4745 8.1E3 856.5441 4.5E3 857.5365 2.1E3 858.4875 3.5E3 873.9633 1.9E3 875.5493 7.5E3 878.5837 7.4E3 893.5615 1.0E4 907.5743 2.4E3 911.5520 1.5E4 912.5540 2.5E3 921.5349 7.8E3 923.6035 2.8E3 929.5630 4.6E3 939.5463 3.9E4 940.5504 7.6E3 953.5608 7.1E3 955.6138 3.8E3 957.5566 1.0E5 958.5616 1.5E4 960.6330 3.7E3 970.6179 2.9E3 971.5736 2.5E4 972.5761 4.7E3 978.6511 8.9E3 988.6315 2.4E4 989.6361 5.5E3 1006.6420 1.4E5 1007.6468 3.0E4 1012.1299 2.4E3 1012.9695 2.7E3 1024.6357 7.8E3 1025.6224 9.0E3 1034.6233 8.6E3 1035.6240 3.4E3 1042.6462 7.2E4 1043.6495 1.8E4 1052.6305 1.1E5 1053.6327 2.7E4 1070.6412 5.6E5 1071.6440 1.3E5 END IONS BEGIN IONS FEATURE_ID=481 PEPMASS=1070.6414 SCANS=481 RTINSECONDS=1937.028 CHARGE=1+ MSLEVEL=2 75.1733 2.3E3 79.6618 2.8E3 86.0965 9.0E3 89.0600 2.7E3 91.2617 2.7E3 97.0313 2.7E3 112.6858 2.7E3 117.0907 4.2E3 133.0855 2.6E3 133.8125 2.6E3 146.8781 2.7E3 151.6350 2.8E3 153.3094 2.7E3 161.9350 3.1E3 162.1349 3.1E3 175.1324 3.3E3 184.3783 2.5E3 191.3635 3.0E3 192.2042 2.9E3 201.1228 4.2E3 229.1177 1.2E4 231.9923 2.7E3 233.1310 1.1E4 243.7016 2.8E3 245.1851 7.7E3 259.0747 3.1E3 261.1260 6.6E4 268.1653 3.5E3 277.0840 1.0E4 278.1530 4.7E3 283.1644 3.1E3 290.3468 2.7E3 296.1958 8.8E3 328.1864 9.8E3 332.1996 2.5E4 342.2012 5.8E3 352.2473 3.6E4 355.1842 2.7E3 360.1945 1.2E5 360.2112 1.9E4 361.1982 4.0E3 370.2576 9.7E3 371.3256 4.4E3 373.0909 3.0E3 376.1523 4.3E3 378.2051 1.1E4 381.5484 2.8E3 383.1917 1.0E4 395.2661 3.9E3 411.2229 1.1E4 414.2603 3.7E3 416.2207 5.4E3 429.2163 1.6E4 441.2698 1.5E4 444.2155 8.0E3 455.3473 4.4E3 457.2100 2.3E4 458.1953 3.4E3 459.2799 1.8E4 475.2215 1.9E5 476.2254 1.2E4 476.2644 3.4E3 477.2660 2.9E3 481.2723 3.2E4 483.3420 7.9E3 489.2371 9.9E3 491.2899 4.5E3 496.2751 9.1E3 496.3127 3.6E3 499.2825 8.4E4 500.2857 8.5E3 501.3532 5.4E3 506.2964 3.7E3 507.2475 3.9E3 508.3489 3.5E3 517.2935 8.1E4 518.2953 3.8E3 524.3068 2.1E4 542.2995 1.1E4 543.2840 5.4E3 554.3535 1.4E4 555.3577 3.8E3 559.2433 7.3E3 560.3103 1.7E4 566.3790 5.7E3 568.4302 4.0E3 570.2944 2.7E4 571.2993 4.1E3 572.3636 1.3E4 580.3573 4.3E3 584.3718 6.7E3 586.2535 9.8E3 588.3052 9.2E4 589.3085 7.5E3 594.3561 2.6E4 596.4252 2.1E4 598.3680 1.2E4 599.4371 5.1E3 602.3201 5.4E3 602.3829 9.3E3 606.3153 1.2E4 612.3663 8.0E4 613.3691 1.1E4 620.3316 8.5E3 630.3772 1.2E5 631.3798 1.6E4 637.3917 2.5E4 655.4024 4.8E4 656.4052 4.3E3 661.4164 3.1E3 665.4484 1.3E4 673.3943 8.8E3 676.2261 2.9E3 679.4236 3.1E3 683.3785 1.2E4 683.4567 5.9E3 693.4207 2.5E4 701.3889 1.1E5 701.4475 5.6E3 702.3931 1.6E4 711.4352 6.2E4 711.4561 1.5E4 712.4597 3.8E3 719.3995 7.3E5 720.4029 8.8E4 727.3954 5.0E3 729.4454 1.5E5 730.4496 2.3E4 743.4615 1.5E4 744.4581 4.5E3 745.4043 4.2E3 755.3630 2.8E3 760.4891 6.6E3 765.4992 1.1E4 767.4293 3.3E3 778.5316 7.8E3 798.4675 1.1E4 808.4513 2.0E4 810.5215 9.6E3 814.5349 9.1E3 822.4681 3.5E3 824.5189 9.4E3 826.4616 5.5E4 827.4645 8.0E3 840.4776 1.5E4 841.4810 3.9E3 842.5293 6.9E4 843.5319 1.3E4 844.4723 6.2E4 845.4745 1.2E4 852.5148 8.0E3 858.4890 1.9E4 866.5303 4.2E3 875.5499 1.3E4 878.5847 4.0E3 893.5593 1.3E4 905.3488 3.6E3 905.5941 8.4E3 907.5692 3.7E3 908.5797 3.1E3 910.5927 5.5E3 911.5518 2.5E4 912.5421 5.9E3 921.5345 1.0E4 922.5337 4.5E3 923.6042 5.3E3 937.6078 3.7E3 939.5457 8.9E4 940.5521 1.3E4 943.5786 9.6E3 946.4305 3.0E3 953.5607 1.8E4 955.6146 9.3E3 957.5563 1.5E5 958.5580 3.3E4 960.6400 4.7E3 965.5952 4.7E3 971.5718 3.6E4 972.5724 5.7E3 978.6469 1.3E4 983.6080 3.7E3 988.6306 5.0E4 989.6353 6.3E3 1006.6423 2.1E5 1007.6465 4.2E4 1024.6350 2.0E4 1025.6229 1.1E4 1026.6128 5.9E3 1034.6188 2.3E4 1042.6458 1.3E5 1043.6482 2.2E4 1052.6299 2.2E5 1053.6335 5.5E4 1070.6406 8.5E5 1071.6436 1.8E5 END IONS BEGIN IONS FEATURE_ID=482 PEPMASS=1070.6425 SCANS=482 RTINSECONDS=2102.299 CHARGE=1+ MSLEVEL=2 86.0966 2.0E3 87.0442 4.2E3 89.0598 6.2E3 91.5083 1.0E3 99.0805 2.8E3 101.0960 1.4E3 115.0755 3.4E3 117.0911 1.4E4 131.0879 1.0E3 133.0859 6.5E3 157.1220 1.6E3 168.1066 1.3E3 173.1170 1.1E3 175.1328 8.3E3 177.1120 3.7E3 221.1382 1.0E3 227.1749 1.3E3 233.1745 4.3E3 261.1264 2.3E3 279.1360 1.0E3 291.2155 1.3E3 342.2019 1.9E3 352.2473 2.5E3 360.1942 2.6E3 360.2126 1.4E3 362.1373 2.8E3 394.1639 1.5E3 441.2705 2.4E3 455.2859 2.9E3 456.2886 3.7E3 457.2101 1.5E3 459.2800 2.2E3 465.3316 1.8E3 474.2991 1.2E3 475.2214 1.4E4 483.3405 2.1E3 489.2366 1.2E3 493.2322 1.3E3 524.3075 1.8E3 551.3890 1.1E3 552.3903 1.3E3 568.3709 1.0E3 568.3948 1.8E3 569.3732 1.7E3 569.3988 4.1E3 570.2947 1.1E3 570.3745 1.4E3 570.4008 2.3E3 578.4160 1.4E3 587.3840 1.0E3 588.3047 6.0E3 594.3561 1.7E3 596.4254 4.0E3 606.3168 2.3E3 612.3661 3.7E3 620.3326 1.5E3 630.3771 4.4E3 637.3925 2.4E3 655.4027 3.3E3 669.4692 1.1E3 682.4560 1.8E3 682.4822 1.6E3 683.4594 1.2E3 683.4856 1.9E3 685.4496 2.2E3 686.4529 2.5E3 687.4555 2.1E3 695.4969 1.2E3 699.4653 7.6E3 700.4677 1.9E4 701.3895 7.7E3 701.4698 2.1E4 702.3934 1.2E3 702.4731 5.1E3 703.4049 1.4E3 711.4520 1.7E3 719.3999 6.6E4 720.4025 8.2E3 729.4448 2.8E3 745.4041 1.8E3 780.5004 1.6E3 796.5698 1.2E3 797.5115 1.4E3 798.5115 3.3E3 826.4616 2.1E3 842.5289 2.8E3 844.4745 3.7E3 865.5893 1.1E3 893.5877 2.1E3 894.5891 1.1E3 910.5939 2.0E3 911.5502 1.7E3 911.5955 5.4E3 912.5961 1.8E3 939.5463 5.2E3 957.5564 7.8E3 958.5583 1.7E3 971.5726 3.0E3 979.6559 1.4E3 988.6309 3.7E3 992.6556 1.0E3 996.6857 4.3E3 997.6870 2.0E3 1005.6636 1.3E3 1006.6436 1.3E4 1007.6453 3.6E3 1022.6724 1.4E3 1023.6767 4.8E3 1024.6802 4.8E4 1025.6827 2.1E4 1026.6835 1.3E3 1042.6464 5.5E3 1043.6475 1.3E3 1052.6305 1.4E4 1053.6346 3.2E3 1070.6411 6.6E4 1071.6436 1.4E4 END IONS BEGIN IONS FEATURE_ID=483 PEPMASS=1070.6422 SCANS=483 RTINSECONDS=2132.129 CHARGE=1 MSLEVEL=2 86.0967 2.5E3 87.0445 3.2E3 89.0600 3.4E3 91.5081 1.5E3 99.0808 1.7E3 115.0755 4.4E3 117.0912 1.2E4 133.0858 5.1E3 146.0940 1.8E3 168.1072 1.6E3 175.1148 1.0E3 175.1327 5.4E3 177.1123 3.0E3 197.1283 1.1E3 221.1389 1.4E3 227.1752 2.5E3 229.1186 2.0E3 233.1744 3.8E3 245.1859 2.7E3 261.1260 4.3E3 291.2162 1.4E3 326.2438 1.0E3 328.1859 2.4E3 332.2004 2.2E3 338.2325 1.7E3 339.2365 1.6E3 342.2023 2.4E3 352.2479 2.4E3 356.2422 1.2E3 360.1948 7.8E3 360.2119 3.8E3 361.2162 1.7E3 396.2687 1.1E3 413.2752 1.1E3 423.2594 1.2E3 441.2702 9.8E3 442.2740 8.4E3 443.2761 3.7E3 451.3168 2.2E3 452.3197 2.6E3 453.3232 1.5E3 454.2548 1.8E3 455.2868 1.2E3 457.2129 1.8E3 459.2814 2.9E3 469.3268 3.3E3 470.3298 3.6E3 471.3326 3.2E3 475.2214 1.6E4 481.2727 3.0E3 488.3414 1.0E3 499.2831 7.6E3 508.3486 1.4E3 509.3528 1.6E3 517.2935 6.4E3 524.3087 1.9E3 527.3646 1.2E3 536.3458 1.7E3 537.3478 1.8E3 538.3506 1.1E3 547.3931 1.3E3 554.3539 5.2E3 555.3571 4.5E3 556.3611 3.3E3 560.3113 1.4E3 564.4000 2.3E3 565.4039 3.9E3 566.4074 1.5E3 570.2952 2.6E3 572.3650 2.2E3 573.3693 2.8E3 574.3711 1.4E3 582.4099 4.8E3 583.4138 1.0E4 584.4163 8.1E3 588.3055 5.0E3 589.3102 1.3E3 594.3552 3.1E3 596.4280 1.7E3 598.3691 1.6E3 599.4381 1.7E3 600.4410 1.1E3 606.3153 1.1E3 612.3670 6.6E3 630.3771 9.0E3 631.3809 1.1E3 637.3917 1.4E3 655.4025 4.1E3 663.4689 1.3E3 664.4715 3.8E3 665.4755 3.4E3 667.4382 2.4E3 668.4414 4.8E3 669.4442 5.2E3 670.4476 1.5E3 680.4301 1.1E3 681.4353 1.3E3 681.4765 2.9E3 682.4820 8.7E3 683.4849 8.3E3 684.4874 1.8E3 685.4490 2.6E4 686.4518 5.8E4 687.4545 5.9E4 688.4571 1.4E4 693.4221 2.3E3 696.4964 1.5E3 697.4379 1.7E3 697.5012 1.4E3 698.4414 3.2E3 699.4432 3.4E3 701.3890 1.0E4 702.3917 1.1E3 703.4053 2.0E3 711.4355 4.2E3 711.4576 1.4E3 719.3998 5.7E4 720.4033 7.5E3 729.4453 1.1E4 730.4501 1.4E3 743.4611 1.5E3 779.4999 2.2E3 780.5013 2.6E3 793.5151 1.0E3 795.5674 2.0E3 796.5696 3.7E3 797.5106 3.1E3 798.5114 4.8E3 799.5152 1.1E3 808.4513 1.5E3 810.5233 1.5E3 811.5258 1.1E3 812.5276 1.8E3 826.4630 2.9E3 842.5272 4.6E3 844.4720 4.8E3 858.4860 1.0E3 864.5887 1.1E3 865.5888 2.9E3 866.5832 1.1E3 892.5827 1.6E3 893.5876 6.9E3 894.5883 2.3E3 907.6001 1.4E3 909.5870 1.1E3 910.5932 6.1E3 911.5493 1.6E3 911.5954 1.3E4 912.5985 4.2E3 921.5364 1.4E3 924.6085 1.2E3 925.6112 3.4E3 926.6140 1.1E3 939.5457 5.5E3 953.5634 1.2E3 957.5571 1.3E4 958.5598 2.8E3 971.5710 2.4E3 978.6793 1.0E3 979.6603 2.0E3 988.6268 3.3E3 995.6812 1.2E3 996.6854 9.6E3 997.6888 3.5E3 1005.6694 2.5E3 1006.6699 1.6E4 1007.6770 8.0E3 1022.6733 6.3E3 1023.6771 1.7E4 1024.6801 1.2E5 1025.6825 5.3E4 1026.6851 2.8E3 1034.6179 1.1E3 1042.6448 9.2E3 1043.6473 1.4E3 1052.6304 1.8E4 1053.6338 3.2E3 1054.6451 2.0E3 1070.6405 7.0E4 1071.6439 1.6E4 END IONS BEGIN IONS FEATURE_ID=484 PEPMASS=1070.6727 SCANS=484 RTINSECONDS=2054.31 CHARGE=1+ MSLEVEL=2 86.0966 1.4E4 87.0441 2.8E3 89.0597 4.1E3 99.0805 1.6E3 115.0754 2.6E3 117.0911 1.2E4 133.0858 4.3E3 157.1221 1.1E3 168.1068 1.6E3 173.1166 1.0E3 175.1325 5.8E3 177.1116 2.0E3 190.1194 1.3E3 199.1805 3.5E3 201.1234 2.6E3 213.1591 2.1E3 221.1380 1.2E3 227.1752 1.8E4 228.1782 2.6E3 229.1183 7.1E3 233.1745 4.5E3 243.1332 1.2E3 245.1857 7.7E3 259.2008 1.9E3 281.2217 1.5E3 283.1646 1.1E3 296.1960 1.2E3 298.2490 1.1E3 311.1967 1.1E3 326.2430 9.3E3 327.2463 2.2E3 328.1861 1.5E4 329.1893 2.5E3 342.2020 8.2E3 344.2541 1.8E3 352.2477 2.1E3 360.2123 9.4E3 370.2580 9.1E3 371.2621 5.2E3 374.2279 1.6E3 375.2303 1.0E3 386.2319 1.3E4 395.2647 5.6E3 396.2485 1.5E3 396.2678 1.3E3 404.2423 7.2E3 405.3106 2.3E3 413.2754 3.5E3 414.2586 1.7E3 423.2592 1.0E4 424.2624 1.2E3 437.2742 1.6E3 440.2384 1.5E3 441.2701 7.6E4 442.2736 2.0E4 443.2764 2.7E3 455.2855 8.0E3 455.3476 1.2E3 456.2896 1.8E3 457.3377 2.4E3 459.2804 9.3E3 465.3313 1.6E3 466.3358 2.0E3 469.2652 1.1E3 473.2964 5.0E3 474.2995 2.3E3 481.3054 2.6E3 483.3421 2.5E4 484.3454 2.4E4 485.3478 4.6E3 489.3315 1.7E3 497.3587 1.5E3 498.3606 2.4E3 499.3160 1.8E4 508.3488 7.8E3 509.3330 1.9E3 509.3522 1.4E3 517.3266 2.6E4 518.3290 2.5E3 519.2687 1.6E3 525.2910 2.1E3 525.3281 1.1E3 526.3587 6.8E3 527.3433 1.0E3 527.3632 1.6E3 535.3365 3.7E3 536.3428 7.4E3 537.3469 1.4E3 550.3826 1.0E3 552.3032 1.2E3 553.3212 1.5E3 554.3537 2.7E4 555.3572 5.9E3 568.3699 3.1E3 570.4204 1.1E3 572.3641 1.3E4 573.3671 2.2E3 578.4158 1.8E3 579.4200 2.6E3 584.4037 1.1E3 586.3475 1.5E3 586.3795 8.0E3 587.3843 2.8E3 594.3892 5.8E3 596.4254 2.0E4 597.4294 3.4E4 598.4328 1.1E4 602.4150 2.6E3 610.4422 1.5E3 611.4453 2.6E3 612.3997 1.9E4 613.4031 2.0E3 614.3433 1.7E3 621.4343 1.6E3 630.4102 4.5E4 631.4141 6.2E3 632.3530 3.5E3 633.4223 1.3E3 639.4422 2.7E3 649.4265 2.1E3 667.4376 2.3E4 667.4619 1.3E3 668.4410 3.8E3 678.4868 1.5E3 681.4522 1.3E3 682.4571 2.8E3 685.4483 2.2E5 686.4515 3.5E4 687.4551 1.9E3 693.4567 3.9E3 694.4606 1.4E3 695.4941 7.8E3 696.4973 1.4E4 697.5012 5.7E3 699.4319 2.6E3 699.4648 1.4E4 700.4670 3.2E4 701.4412 1.7E3 701.4688 9.0E3 702.4453 1.5E3 710.5139 1.0E3 711.4683 1.2E4 712.4706 1.6E3 713.4122 1.4E3 715.4988 1.0E3 717.4422 1.6E3 719.4001 1.7E3 725.4830 1.4E3 727.4259 6.0E3 729.4781 2.9E4 730.4810 4.9E3 731.4224 1.7E3 733.4134 1.4E3 743.4941 5.3E3 745.4370 1.5E4 746.4393 1.8E3 793.5140 1.8E3 798.5010 2.0E3 799.4838 4.1E3 808.4845 2.9E3 811.5234 1.3E3 812.5180 1.7E3 814.5658 1.2E3 824.5526 2.8E3 826.4944 9.2E3 827.4982 1.2E3 840.5114 3.2E3 842.5622 1.3E4 843.5668 2.5E3 844.5053 1.1E4 845.5092 2.0E3 856.5781 1.4E3 858.5203 5.4E3 866.5620 1.0E3 893.5729 1.4E3 894.5551 1.0E3 895.5756 1.6E3 911.5839 7.1E3 912.5660 4.3E3 921.5665 2.3E3 924.6072 3.2E3 925.6111 1.2E3 929.5941 1.3E3 939.5785 1.5E4 940.5815 2.9E3 943.6099 1.0E3 953.5945 3.3E3 955.6484 2.4E3 957.5895 2.8E4 958.5932 5.5E3 971.6051 1.0E4 972.6100 2.2E3 981.6663 1.4E3 990.6445 1.8E3 991.6513 2.1E3 1008.6570 9.2E3 1009.6608 1.2E4 1010.6641 1.1E3 1024.6692 3.5E3 1025.6516 4.6E3 1034.6569 2.5E3 1035.6769 2.4E3 1042.6781 2.2E4 1043.6840 3.6E3 1052.6621 3.6E4 1053.6696 6.7E3 1070.6740 1.4E5 1071.6768 3.6E4 END IONS BEGIN IONS FEATURE_ID=485 PEPMASS=1074.6465 SCANS=485 RTINSECONDS=2200.821 CHARGE=1+ MSLEVEL=2 1074.6453 7.5E4 1075.6486 1.6E4 END IONS BEGIN IONS FEATURE_ID=486 PEPMASS=1074.6459 SCANS=486 RTINSECONDS=2204.449 CHARGE=1+ MSLEVEL=2 1074.6453 7.5E4 1075.6486 1.6E4 END IONS BEGIN IONS FEATURE_ID=487 PEPMASS=1076.5944 SCANS=487 RTINSECONDS=2074.479 CHARGE=1+ MSLEVEL=2 85.0764 1.0E3 87.0444 2.1E3 89.0600 3.1E3 99.0809 1.5E3 112.0873 1.1E3 115.0756 2.4E3 117.0911 8.9E3 133.0860 3.9E3 175.1327 5.3E3 177.1122 1.6E3 233.1747 2.7E3 716.4058 1.1E3 832.4163 2.0E3 850.4258 2.2E3 906.4279 1.3E3 927.4879 1.7E3 935.5131 1.2E3 945.4982 3.3E3 989.5437 1.2E3 1014.5936 1.3E3 1017.5771 1.2E3 1032.5308 2.0E3 1033.5333 2.4E3 1040.5732 6.8E3 1057.5825 3.4E3 1058.5835 4.9E4 1059.5863 8.9E3 1075.5963 8.9E3 1076.5939 1.0E5 1077.5967 2.4E4 END IONS BEGIN IONS FEATURE_ID=488 PEPMASS=1076.5917 SCANS=488 RTINSECONDS=2113.983 CHARGE=1+ MSLEVEL=2 85.0766 1.6E3 87.0444 1.6E3 89.0602 2.0E3 115.0755 2.0E3 117.0910 5.8E3 133.0858 2.3E3 168.1071 1.2E3 173.1175 1.3E3 175.1327 2.9E3 177.1122 1.6E3 190.1200 1.0E3 233.1749 2.1E3 594.2576 1.1E3 716.4040 1.4E3 734.4139 1.7E3 739.3679 1.4E3 793.3299 1.3E3 832.4151 1.8E3 850.4242 1.3E3 874.3992 1.6E3 892.4106 1.3E3 894.3881 1.0E3 917.5015 1.1E3 927.4875 1.7E3 935.5149 1.6E3 945.4974 2.8E3 963.5067 1.2E3 988.5402 1.3E3 989.5438 1.4E3 1014.5923 1.2E3 1015.5238 1.5E3 1017.5735 1.4E3 1032.5320 3.2E3 1033.5315 3.1E3 1040.5714 1.3E4 1041.5776 2.3E3 1048.5990 1.4E3 1057.5857 3.3E3 1058.5825 6.1E4 1059.5861 1.4E4 1075.5950 8.8E3 1076.5929 1.5E5 1077.5962 3.2E4 END IONS BEGIN IONS FEATURE_ID=489 PEPMASS=1076.5940 SCANS=489 RTINSECONDS=2157.327 CHARGE=1+ MSLEVEL=2 85.0766 1.6E3 89.0601 3.3E3 115.0756 2.4E3 117.0911 6.1E3 133.0861 3.0E3 175.1328 4.4E3 177.1122 1.0E3 190.1200 1.0E3 233.1747 2.7E3 734.4146 1.1E3 832.4153 1.4E3 927.4875 1.2E3 945.4981 1.2E3 1014.5927 1.1E3 1032.5316 1.4E3 1033.5320 2.1E3 1040.5715 5.4E3 1041.5747 1.3E3 1057.5868 1.6E3 1058.5829 3.1E4 1059.5857 5.9E3 1075.5931 5.3E3 1075.6495 2.9E3 1076.5934 7.2E4 1077.5962 1.3E4 END IONS BEGIN IONS FEATURE_ID=490 PEPMASS=1076.5942 SCANS=490 RTINSECONDS=2164.232 CHARGE=1+ MSLEVEL=2 85.0766 1.6E3 89.0601 3.3E3 115.0756 2.4E3 117.0911 6.1E3 133.0861 3.0E3 175.1328 4.4E3 177.1122 1.0E3 190.1200 1.0E3 233.1747 2.7E3 734.4146 1.1E3 832.4153 1.4E3 927.4875 1.2E3 945.4981 1.2E3 1014.5927 1.1E3 1032.5316 1.4E3 1033.5320 2.1E3 1040.5715 5.4E3 1041.5747 1.3E3 1057.5868 1.6E3 1058.5829 3.1E4 1059.5857 5.9E3 1075.5931 5.3E3 1075.6495 2.9E3 1076.5934 7.2E4 1077.5962 1.3E4 END IONS BEGIN IONS FEATURE_ID=491 PEPMASS=1079.7320 SCANS=491 RTINSECONDS=2120.101 CHARGE=1+ MSLEVEL=2 86.0966 2.1E3 117.0907 1.3E3 227.1755 3.2E3 229.1181 1.0E3 245.1850 1.5E3 326.2430 1.8E3 328.1865 2.1E3 338.2319 2.4E3 342.2015 1.7E3 356.2421 1.6E3 360.2125 3.0E3 395.2652 1.0E3 423.2597 2.0E3 441.2701 1.6E4 451.3163 4.4E3 455.2856 2.1E3 459.2810 1.7E3 469.3266 6.7E3 487.3370 1.9E3 508.3484 2.2E3 526.3594 1.5E3 536.3435 3.7E3 546.3886 2.3E3 554.3544 8.0E3 554.4146 1.1E3 564.3999 6.5E3 572.3655 3.6E3 582.4109 1.7E4 583.4146 1.8E3 584.3533 1.6E3 586.3813 1.2E3 645.4589 2.6E3 663.4681 6.8E3 664.4721 1.4E3 667.4377 9.1E3 668.4401 1.3E3 679.4263 2.0E3 681.4788 1.2E4 682.4816 1.9E3 685.4485 1.1E5 686.4514 1.2E4 695.4937 1.8E3 697.4373 6.0E3 751.4839 1.4E3 778.4948 5.1E3 792.5099 1.4E3 794.5630 5.4E3 796.5067 6.7E3 810.5197 2.4E3 863.5837 4.7E3 873.5653 1.7E3 891.5797 7.8E3 892.5834 1.5E3 905.5936 1.3E3 909.5900 1.6E4 910.5929 3.0E3 923.6050 5.3E3 976.6694 1.5E3 977.6516 1.7E3 986.6520 1.3E3 994.6772 9.0E3 995.6838 1.8E3 1004.6636 2.6E4 1005.6660 4.6E3 1022.6740 1.4E5 1023.6776 2.2E4 1042.5742 1.5E3 1060.5862 5.0E3 1061.5894 6.7E3 1062.5878 1.2E3 1078.5975 1.1E4 1078.7179 1.4E3 1079.5995 1.1E4 1079.7181 1.7E3 1080.5916 3.5E3 END IONS BEGIN IONS FEATURE_ID=492 PEPMASS=1079.7329 SCANS=492 RTINSECONDS=2142.14 CHARGE=1+ MSLEVEL=2 91.5081 1.0E3 117.0911 2.2E3 227.1747 1.8E3 233.1744 1.2E3 326.2437 1.8E3 328.1865 2.2E3 338.2320 2.7E3 342.2015 1.3E3 356.2418 1.3E3 360.2122 1.7E3 395.2648 1.2E3 423.2588 2.6E3 441.2701 1.3E4 451.3159 4.0E3 455.2858 1.6E3 459.2809 3.2E3 469.3270 6.1E3 487.3377 1.1E3 508.3485 2.2E3 526.3584 1.5E3 536.3426 3.4E3 546.3890 1.3E3 554.3542 9.2E3 564.4003 6.4E3 572.3648 3.3E3 582.4106 1.5E4 583.4134 1.6E3 584.3547 1.1E3 645.4571 1.4E3 663.4682 6.4E3 667.4384 7.5E3 679.4278 1.9E3 681.4792 1.2E4 682.4808 1.7E3 685.4487 9.2E4 686.4517 1.0E4 695.4952 1.8E3 697.4376 4.0E3 760.4863 1.1E3 778.4956 3.2E3 792.5100 1.8E3 794.5618 3.3E3 796.5064 4.6E3 810.5210 2.4E3 863.5849 4.2E3 891.5799 7.2E3 892.5833 1.1E3 905.5965 1.3E3 909.5900 1.5E4 910.5917 2.9E3 923.6043 3.6E3 986.6547 1.5E3 994.6789 7.2E3 995.6819 1.4E3 1004.6636 2.1E4 1005.6644 4.3E3 1022.6740 1.1E5 1023.6769 2.1E4 1043.5836 1.0E3 1060.5865 3.3E3 1061.5903 4.1E3 1062.5833 1.0E3 1078.5967 5.8E3 1078.7167 1.5E3 1079.5988 9.1E3 1079.7233 1.0E3 1080.5948 2.1E3 END IONS BEGIN IONS FEATURE_ID=493 PEPMASS=1081.7520 SCANS=493 RTINSECONDS=2412.807 CHARGE=1+ MSLEVEL=2 326.2441 1.3E3 352.2483 1.1E3 441.2702 9.2E3 459.2808 1.2E3 483.3423 2.3E3 508.3491 1.8E3 536.3436 2.5E3 554.3541 4.6E3 572.3651 1.5E3 578.4159 3.0E3 596.4259 6.6E3 597.4293 1.2E3 667.4379 5.7E3 671.4325 6.3E3 672.4360 1.3E3 677.4835 1.8E3 685.4487 5.0E4 686.4518 6.5E3 695.4945 5.6E3 709.5115 1.8E3 711.4521 3.2E3 792.5103 1.8E3 806.5266 1.2E3 808.5778 3.1E3 810.5201 2.8E3 824.5380 1.2E3 877.6008 1.6E3 905.5941 3.4E3 923.6050 8.7E3 924.6079 2.2E3 937.6219 2.5E3 1008.6948 6.0E3 1009.6965 1.4E3 1018.6785 1.2E4 1019.6820 3.2E3 1036.6893 7.2E4 1037.6925 1.6E4 END IONS BEGIN IONS FEATURE_ID=494 PEPMASS=1081.7506 SCANS=494 RTINSECONDS=2417.338 CHARGE=1+ MSLEVEL=2 423.2597 1.4E3 441.2705 5.5E3 483.3419 1.5E3 511.3729 1.2E3 554.3539 3.3E3 572.3647 1.3E3 578.4150 1.2E3 596.4254 3.1E3 624.4570 1.8E3 667.4376 4.1E3 685.4485 3.3E4 686.4516 4.1E3 695.4937 2.5E3 723.5238 1.2E3 905.5919 1.3E3 923.6065 2.6E3 951.6338 2.5E3 1008.6905 1.8E3 1018.6784 4.3E3 1036.6890 2.4E4 1037.6931 5.7E3 1046.7086 2.5E3 1050.7042 1.3E3 1064.7207 1.5E4 1065.7234 3.0E3 END IONS BEGIN IONS FEATURE_ID=495 PEPMASS=1081.7515 SCANS=495 RTINSECONDS=2418.141 CHARGE=1+ MSLEVEL=2 423.2597 1.4E3 441.2705 5.5E3 483.3419 1.5E3 511.3729 1.2E3 554.3539 3.3E3 572.3647 1.3E3 578.4150 1.2E3 596.4254 3.1E3 624.4570 1.8E3 667.4376 4.1E3 685.4485 3.3E4 686.4516 4.1E3 695.4937 2.5E3 723.5238 1.2E3 905.5919 1.3E3 923.6065 2.6E3 951.6338 2.5E3 1008.6905 1.8E3 1018.6784 4.3E3 1036.6890 2.4E4 1037.6931 5.7E3 1046.7086 2.5E3 1050.7042 1.3E3 1064.7207 1.5E4 1065.7234 3.0E3 END IONS BEGIN IONS FEATURE_ID=496 PEPMASS=1081.7508 SCANS=496 RTINSECONDS=2418.676 CHARGE=1+ MSLEVEL=2 423.2597 1.4E3 441.2705 5.5E3 483.3419 1.5E3 511.3729 1.2E3 554.3539 3.3E3 572.3647 1.3E3 578.4150 1.2E3 596.4254 3.1E3 624.4570 1.8E3 667.4376 4.1E3 685.4485 3.3E4 686.4516 4.1E3 695.4937 2.5E3 723.5238 1.2E3 905.5919 1.3E3 923.6065 2.6E3 951.6338 2.5E3 1008.6905 1.8E3 1018.6784 4.3E3 1036.6890 2.4E4 1037.6931 5.7E3 1046.7086 2.5E3 1050.7042 1.3E3 1064.7207 1.5E4 1065.7234 3.0E3 END IONS BEGIN IONS FEATURE_ID=497 PEPMASS=1081.7494 SCANS=497 RTINSECONDS=2426.002 CHARGE=1+ MSLEVEL=2 423.2597 1.4E3 441.2705 5.5E3 483.3419 1.5E3 511.3729 1.2E3 554.3539 3.3E3 572.3647 1.3E3 578.4150 1.2E3 596.4254 3.1E3 624.4570 1.8E3 667.4376 4.1E3 685.4485 3.3E4 686.4516 4.1E3 695.4937 2.5E3 723.5238 1.2E3 905.5919 1.3E3 923.6065 2.6E3 951.6338 2.5E3 1008.6905 1.8E3 1018.6784 4.3E3 1036.6890 2.4E4 1037.6931 5.7E3 1046.7086 2.5E3 1050.7042 1.3E3 1064.7207 1.5E4 1065.7234 3.0E3 END IONS BEGIN IONS FEATURE_ID=498 PEPMASS=1081.7493 SCANS=498 RTINSECONDS=2426.537 CHARGE=1+ MSLEVEL=2 423.2597 1.4E3 441.2705 5.5E3 483.3419 1.5E3 511.3729 1.2E3 554.3539 3.3E3 572.3647 1.3E3 578.4150 1.2E3 596.4254 3.1E3 624.4570 1.8E3 667.4376 4.1E3 685.4485 3.3E4 686.4516 4.1E3 695.4937 2.5E3 723.5238 1.2E3 905.5919 1.3E3 923.6065 2.6E3 951.6338 2.5E3 1008.6905 1.8E3 1018.6784 4.3E3 1036.6890 2.4E4 1037.6931 5.7E3 1046.7086 2.5E3 1050.7042 1.3E3 1064.7207 1.5E4 1065.7234 3.0E3 END IONS BEGIN IONS FEATURE_ID=499 PEPMASS=1081.7491 SCANS=499 RTINSECONDS=2453.617 CHARGE=1+ MSLEVEL=2 91.5062 1.2E3 227.1750 1.3E3 328.1858 1.3E3 342.2014 1.1E3 352.2473 1.1E3 441.2703 7.8E3 459.2806 1.3E3 465.3316 1.8E3 483.3425 2.7E3 508.3486 1.5E3 536.3431 1.6E3 554.3534 4.2E3 572.3639 1.8E3 578.4158 2.7E3 586.3813 1.3E3 596.4256 9.0E3 667.4367 5.3E3 668.4385 1.0E3 671.4329 1.5E3 677.4826 2.5E3 685.4482 6.2E4 686.4509 7.9E3 695.4943 6.4E3 711.4561 2.0E3 723.5267 1.2E3 792.5094 1.1E3 808.5771 2.5E3 810.5216 2.5E3 877.5986 1.8E3 905.5946 3.9E3 923.6052 8.8E3 924.6058 1.1E3 937.6210 2.6E3 1008.6933 4.5E3 1018.6791 1.3E4 1019.6810 3.1E3 1036.6890 6.6E4 1037.6920 1.5E4 1046.7091 1.2E3 1064.7201 6.2E3 1065.7260 2.1E3 END IONS BEGIN IONS FEATURE_ID=500 PEPMASS=1081.7513 SCANS=500 RTINSECONDS=2459.977 CHARGE=1+ MSLEVEL=2 91.5062 1.2E3 227.1750 1.3E3 328.1858 1.3E3 342.2014 1.1E3 352.2473 1.1E3 441.2703 7.8E3 459.2806 1.3E3 465.3316 1.8E3 483.3425 2.7E3 508.3486 1.5E3 536.3431 1.6E3 554.3534 4.2E3 572.3639 1.8E3 578.4158 2.7E3 586.3813 1.3E3 596.4256 9.0E3 667.4367 5.3E3 668.4385 1.0E3 671.4329 1.5E3 677.4826 2.5E3 685.4482 6.2E4 686.4509 7.9E3 695.4943 6.4E3 711.4561 2.0E3 723.5267 1.2E3 792.5094 1.1E3 808.5771 2.5E3 810.5216 2.5E3 877.5986 1.8E3 905.5946 3.9E3 923.6052 8.8E3 924.6058 1.1E3 937.6210 2.6E3 1008.6933 4.5E3 1018.6791 1.3E4 1019.6810 3.1E3 1036.6890 6.6E4 1037.6920 1.5E4 1046.7091 1.2E3 1064.7201 6.2E3 1065.7260 2.1E3 END IONS BEGIN IONS FEATURE_ID=501 PEPMASS=1082.5673 SCANS=501 RTINSECONDS=939.774 CHARGE=1+ MSLEVEL=2 217.1331 2.0E3 245.1282 3.1E3 263.1385 2.8E3 337.2230 3.9E3 360.1904 2.3E3 365.2179 1.3E4 399.2021 1.9E3 422.2387 1.7E3 479.2639 1.2E3 507.2601 2.0E3 576.3130 9.0E4 577.3168 8.7E3 604.3128 2.7E3 609.3385 4.9E3 661.3335 3.0E3 723.3802 3.1E3 820.4340 4.6E4 821.4371 7.7E3 871.4700 1.2E4 872.4747 2.6E3 983.4973 3.6E3 1082.5658 7.1E4 1083.5688 1.9E4 END IONS BEGIN IONS FEATURE_ID=502 PEPMASS=1082.5663 SCANS=502 RTINSECONDS=953.556 CHARGE=1+ MSLEVEL=2 91.5082 1.1E3 217.1330 1.6E3 245.1281 3.0E3 263.1379 1.6E3 337.2224 3.4E3 360.1913 2.5E3 365.2177 1.1E4 399.2023 2.2E3 422.2391 1.9E3 479.2634 1.1E3 507.2599 1.3E3 576.3132 8.6E4 577.3159 7.9E3 604.3098 2.1E3 609.3394 5.6E3 661.3330 3.3E3 723.3817 2.4E3 820.4341 4.4E4 821.4369 7.3E3 871.4703 1.2E4 872.4716 2.2E3 983.4977 3.0E3 1064.5558 1.4E3 1082.5659 6.9E4 1083.5686 1.7E4 END IONS BEGIN IONS FEATURE_ID=503 PEPMASS=1082.5660 SCANS=503 RTINSECONDS=954.626 CHARGE=1+ MSLEVEL=2 91.5082 1.1E3 217.1330 1.6E3 245.1281 3.0E3 263.1379 1.6E3 337.2224 3.4E3 360.1913 2.5E3 365.2177 1.1E4 399.2023 2.2E3 422.2391 1.9E3 479.2634 1.1E3 507.2599 1.3E3 576.3132 8.6E4 577.3159 7.9E3 604.3098 2.1E3 609.3394 5.6E3 661.3330 3.3E3 723.3817 2.4E3 820.4341 4.4E4 821.4369 7.3E3 871.4703 1.2E4 872.4716 2.2E3 983.4977 3.0E3 1064.5558 1.4E3 1082.5659 6.9E4 1083.5686 1.7E4 END IONS BEGIN IONS FEATURE_ID=504 PEPMASS=1082.5659 SCANS=504 RTINSECONDS=956.798 CHARGE=1+ MSLEVEL=2 91.5081 1.7E3 337.2234 1.7E3 365.2180 4.1E3 474.2357 1.5E3 576.3132 6.5E3 609.3382 7.0E3 610.3426 1.3E3 675.3829 1.9E3 718.3553 5.7E3 772.4012 2.1E3 820.4341 4.0E3 838.4448 5.4E3 871.4723 1.2E3 919.5038 1.1E3 1037.5421 1.2E3 1054.5714 7.0E3 1055.5741 1.1E3 1065.5394 8.2E3 1066.5396 1.9E3 1082.5660 5.9E4 1083.5684 1.6E4 END IONS BEGIN IONS FEATURE_ID=505 PEPMASS=1082.5657 SCANS=505 RTINSECONDS=957.391 CHARGE=1+ MSLEVEL=2 91.5081 1.7E3 337.2234 1.7E3 365.2180 4.1E3 474.2357 1.5E3 576.3132 6.5E3 609.3382 7.0E3 610.3426 1.3E3 675.3829 1.9E3 718.3553 5.7E3 772.4012 2.1E3 820.4341 4.0E3 838.4448 5.4E3 871.4723 1.2E3 919.5038 1.1E3 1037.5421 1.2E3 1054.5714 7.0E3 1055.5741 1.1E3 1065.5394 8.2E3 1066.5396 1.9E3 1082.5660 5.9E4 1083.5684 1.6E4 END IONS BEGIN IONS FEATURE_ID=506 PEPMASS=1082.5667 SCANS=506 RTINSECONDS=982.825 CHARGE=1+ MSLEVEL=2 183.1490 1.4E3 212.1024 2.7E3 245.1282 2.8E3 252.1339 1.0E3 283.1765 1.1E3 311.1706 8.7E3 337.2227 1.3E4 365.2178 3.6E4 366.2215 2.5E3 399.2017 3.7E3 408.1906 1.3E3 422.2390 1.3E3 446.2385 4.1E3 462.2704 1.6E3 467.2653 1.5E3 474.2340 1.5E4 475.2377 1.2E3 479.2973 2.0E3 512.2863 2.4E3 521.3084 2.3E3 528.2817 1.7E3 554.2603 1.2E3 555.2916 1.1E3 559.2875 3.6E3 562.2659 1.7E3 571.2870 4.9E3 576.2811 1.2E3 576.3130 1.6E4 581.3436 8.0E3 588.3135 3.2E3 593.3393 6.3E3 609.3385 7.0E4 610.3408 7.3E3 627.3491 1.0E3 630.3606 3.1E3 647.3880 3.0E3 656.3777 1.4E3 658.3546 9.3E3 659.3586 1.3E3 673.3343 2.0E3 675.3814 2.3E4 676.3834 2.4E3 684.3705 6.9E3 690.3602 6.8E3 691.3624 1.1E3 692.4089 2.3E3 701.3281 9.5E3 718.3544 4.8E4 719.3578 7.2E3 723.4175 1.4E3 727.3801 2.1E3 741.3922 1.6E3 744.4072 2.3E3 772.4017 1.4E4 773.4040 2.1E3 775.4114 1.4E3 777.4273 1.2E3 803.4086 2.6E3 810.4498 6.3E3 815.4094 2.7E3 820.4338 7.5E3 821.4169 9.3E3 822.4536 2.9E3 826.4494 2.7E3 838.4445 4.1E4 839.4472 7.6E3 855.4038 1.6E3 871.4714 5.3E3 872.4297 8.0E3 891.5069 2.2E3 902.4767 5.5E3 919.5023 7.6E3 928.4902 3.3E3 935.4984 2.6E3 940.4924 3.6E3 968.4872 1.8E3 969.4801 2.0E3 983.4974 4.1E3 985.5148 5.8E3 1037.5442 7.8E3 1038.5481 2.5E3 1047.5315 2.5E3 1054.5706 7.1E4 1055.5746 1.6E4 1064.5554 1.1E4 1065.5388 7.8E4 1066.5427 1.9E4 1082.5654 5.0E5 1083.5687 1.2E5 END IONS BEGIN IONS FEATURE_ID=507 PEPMASS=1090.6089 SCANS=507 RTINSECONDS=2159.352 CHARGE=1+ MSLEVEL=2 87.0444 1.4E3 89.0600 2.6E3 115.0755 2.1E3 117.0911 6.8E3 133.0859 2.4E3 175.1329 3.9E3 177.1121 2.3E3 190.1200 1.2E3 233.1750 1.9E3 864.4407 1.1E3 959.5151 1.0E3 1047.5491 2.0E3 1054.5883 4.4E3 1072.5984 2.2E4 1073.6011 5.0E3 1089.6105 4.0E3 1090.6091 5.3E4 1091.6118 1.3E4 END IONS BEGIN IONS FEATURE_ID=508 PEPMASS=1090.6086 SCANS=508 RTINSECONDS=2182.316 CHARGE=1+ MSLEVEL=2 87.0445 1.5E3 89.0600 2.6E3 115.0756 1.3E3 117.0911 4.7E3 133.0858 2.4E3 175.1329 2.8E3 177.1123 1.6E3 233.1751 1.3E3 730.4190 1.2E3 748.4305 1.3E3 906.4254 1.2E3 941.5034 1.7E3 959.5136 1.3E3 1003.5601 1.2E3 1046.5474 1.6E3 1047.5492 1.9E3 1054.5870 3.9E3 1071.5980 2.0E3 1072.5988 3.1E4 1073.6019 6.5E3 1089.6094 5.9E3 1090.6091 6.4E4 1091.6123 1.6E4 END IONS BEGIN IONS FEATURE_ID=509 PEPMASS=1090.6101 SCANS=509 RTINSECONDS=2224.531 CHARGE=1+ MSLEVEL=2 89.0602 1.0E3 91.5081 1.2E3 117.0911 2.4E3 217.1201 1.3E3 846.4308 1.4E3 959.5142 1.5E3 1003.5573 1.2E3 1031.5917 1.0E3 1046.5487 1.5E3 1047.5498 1.2E3 1054.5863 3.0E3 1071.6017 1.9E3 1072.5991 2.1E4 1073.6028 4.9E3 1089.6115 5.3E3 1090.6096 5.3E4 1091.6123 1.2E4 END IONS BEGIN IONS FEATURE_ID=510 PEPMASS=1090.6098 SCANS=510 RTINSECONDS=2277.696 CHARGE=1+ MSLEVEL=2 91.5080 1.5E3 217.1201 1.0E3 959.5162 1.6E3 1003.5605 1.3E3 1031.5917 1.4E3 1046.5461 1.8E3 1047.5508 2.1E3 1054.5886 3.7E3 1071.6000 3.5E3 1072.5989 2.5E4 1073.6033 4.7E3 1089.6119 7.6E3 1090.6101 5.7E4 1091.6129 1.4E4 END IONS BEGIN IONS FEATURE_ID=511 PEPMASS=1090.6100 SCANS=511 RTINSECONDS=2328.362 CHARGE=1+ MSLEVEL=2 217.1199 1.6E3 846.4318 1.3E3 1028.6058 1.2E3 1030.5896 1.0E3 1031.5929 1.1E3 1046.5472 1.5E3 1047.5498 1.3E3 1054.5869 4.4E3 1055.5955 1.0E3 1071.5983 3.0E3 1072.5985 2.5E4 1073.6012 6.0E3 1089.6111 8.2E3 1090.6096 5.7E4 1091.6129 1.2E4 END IONS BEGIN IONS FEATURE_ID=512 PEPMASS=1092.6227 SCANS=512 RTINSECONDS=1960.719 CHARGE=1+ MSLEVEL=2 117.0910 2.3E3 175.1328 1.0E3 958.5460 1.7E3 1001.6014 1.3E3 1028.6245 1.3E5 1029.6277 2.1E4 1074.5616 1.1E3 1074.6067 2.4E3 1077.5978 1.6E3 1091.5746 2.5E3 1092.6227 4.7E5 1093.6259 9.4E4 END IONS BEGIN IONS FEATURE_ID=513 PEPMASS=1092.7296 SCANS=513 RTINSECONDS=2108.428 CHARGE=1+ MSLEVEL=2 85.0765 7.0E3 87.0445 1.2E3 89.0601 1.9E3 115.0756 1.5E3 117.0911 3.8E3 133.0859 1.2E3 175.1326 2.2E3 233.1741 1.2E3 441.2701 1.0E3 568.3944 1.1E3 657.4172 1.0E3 667.4372 1.8E3 685.4482 6.9E3 686.4507 1.7E3 877.5596 1.1E3 980.6616 1.4E3 990.6454 2.0E3 1008.6586 1.5E4 1009.6635 2.9E3 END IONS BEGIN IONS FEATURE_ID=514 PEPMASS=1092.7267 SCANS=514 RTINSECONDS=2118.125 CHARGE=1+ MSLEVEL=2 85.0765 7.0E3 87.0445 1.2E3 89.0601 1.9E3 115.0756 1.5E3 117.0911 3.8E3 133.0859 1.2E3 175.1326 2.2E3 233.1741 1.2E3 441.2701 1.0E3 568.3944 1.1E3 657.4172 1.0E3 667.4372 1.8E3 685.4482 6.9E3 686.4507 1.7E3 877.5596 1.1E3 980.6616 1.4E3 990.6454 2.0E3 1008.6586 1.5E4 1009.6635 2.9E3 END IONS BEGIN IONS FEATURE_ID=515 PEPMASS=1092.7290 SCANS=515 RTINSECONDS=2228.581 CHARGE=1+ MSLEVEL=2 91.5082 1.2E3 117.0912 1.4E3 685.4489 3.6E3 1008.6578 3.4E3 1036.6895 2.4E3 1055.5898 1.5E3 1056.5923 2.1E3 1073.6029 4.3E3 1074.6001 1.4E4 1075.6023 3.2E3 1091.6122 1.0E4 1092.6116 2.6E4 1093.6129 5.4E3 END IONS BEGIN IONS FEATURE_ID=516 PEPMASS=1093.5913 SCANS=516 RTINSECONDS=1107.143 CHARGE=1+ MSLEVEL=2 86.0966 1.5E4 91.5081 1.9E3 120.0806 9.8E3 187.5625 1.0E3 221.1283 1.6E3 231.1126 3.7E3 233.1642 1.7E3 249.1228 4.7E3 254.1492 7.0E3 261.1591 3.5E3 272.1600 4.2E3 275.1753 1.3E3 276.1700 2.3E3 290.1702 1.5E3 303.1700 1.1E5 304.1732 4.5E3 318.1812 1.6E3 320.1961 2.4E3 325.1864 1.7E3 330.1805 7.3E3 334.2123 1.3E3 344.1963 4.2E4 345.2000 3.0E3 345.2121 1.1E3 348.1913 3.3E3 353.2177 4.4E3 355.1972 7.0E3 362.2067 1.0E4 373.2072 2.5E3 389.2543 1.7E3 391.2338 1.3E3 401.2182 1.4E3 415.2700 2.3E3 416.2499 2.5E3 417.2503 1.2E3 419.2282 8.5E3 422.2433 8.9E3 423.2461 1.3E3 424.2542 1.7E3 426.2341 6.5E3 433.2801 3.8E3 443.2643 1.2E4 444.2446 2.1E4 444.2614 1.1E3 444.2679 1.2E3 450.2381 1.1E5 451.2414 9.7E3 454.2658 5.9E3 461.2759 5.5E3 472.2765 1.0E3 502.2649 7.1E3 504.3164 1.1E3 505.2811 2.4E3 507.2597 2.3E4 507.2915 1.1E3 508.2632 2.0E3 514.3026 4.5E3 523.2913 6.5E3 525.3027 5.3E3 526.3033 1.2E3 532.3127 7.7E3 533.2751 2.0E5 534.2789 2.0E4 543.3127 1.8E4 544.3153 3.1E3 551.2855 8.2E4 552.2885 8.3E3 578.3320 1.4E3 597.3381 2.0E3 601.3349 3.0E3 604.3484 4.1E3 606.3276 1.0E4 607.3295 1.9E3 615.3490 1.1E4 622.3602 1.2E3 626.3502 4.7E3 632.3434 2.6E5 633.3462 3.2E4 644.3605 4.9E4 645.3628 6.8E3 650.3541 4.2E4 651.3574 5.4E3 672.3714 2.0E3 696.4077 2.8E3 703.3791 3.6E3 714.4178 6.6E3 721.3910 2.0E4 722.3942 3.1E3 755.4069 1.1E3 773.4182 7.3E3 785.4548 3.9E3 786.4172 2.2E3 791.4288 8.2E4 792.4316 1.2E4 803.4652 1.8E3 804.4293 7.4E3 805.4363 1.2E3 822.4409 1.9E3 875.5024 1.9E3 876.4474 1.3E3 876.5162 1.2E3 877.4476 1.2E3 885.4861 1.2E3 886.5016 8.5E3 898.3856 1.1E3 903.4977 2.0E4 904.5127 1.7E5 905.5159 2.7E4 923.4866 4.5E3 974.5339 8.9E3 975.5366 1.5E3 992.5467 1.3E3 994.5184 3.5E3 1022.5546 2.8E3 1031.5548 1.2E3 1065.5948 3.6E3 1075.5815 2.0E4 1076.5839 6.4E3 1093.5914 3.2E4 1094.5950 7.2E3 END IONS BEGIN IONS FEATURE_ID=517 PEPMASS=1093.7471 SCANS=517 RTINSECONDS=2206.46 CHARGE=1+ MSLEVEL=2 85.0763 1.1E3 86.0966 1.6E3 227.1752 1.4E3 245.1855 1.0E3 326.2431 1.6E3 328.1865 1.3E3 342.2022 1.1E3 352.2477 1.6E3 360.2120 1.6E3 423.2596 1.3E3 441.2703 1.0E4 465.3317 2.8E3 483.3420 4.5E3 508.3488 1.3E3 526.3597 1.0E3 536.3446 2.5E3 554.3539 5.1E3 560.4038 1.2E3 572.3651 3.2E3 578.4148 5.0E3 596.4260 1.0E4 665.4480 1.0E3 667.4387 5.4E3 677.4835 4.3E3 685.4485 6.7E4 686.4513 7.2E3 695.4949 8.8E3 696.4970 1.2E3 711.4536 3.4E3 790.5679 1.2E3 792.5121 2.8E3 808.5787 2.5E3 810.5222 3.8E3 824.5370 1.9E3 877.5979 2.6E3 887.5842 1.3E3 905.5942 4.6E3 906.5996 1.3E3 919.6134 1.1E3 923.6058 1.0E4 924.6086 1.7E3 937.6205 1.4E3 1008.6967 6.2E3 1009.7001 1.3E3 1018.6794 1.4E4 1019.6807 3.5E3 1036.6895 8.5E4 1037.6932 1.5E4 1074.6007 1.7E3 1075.6031 1.9E3 1092.6135 3.1E3 1093.6151 4.5E3 END IONS BEGIN IONS FEATURE_ID=518 PEPMASS=1094.7456 SCANS=518 RTINSECONDS=2189.763 CHARGE=1+ MSLEVEL=2 85.0764 1.5E3 87.0444 1.6E3 87.0921 2.7E3 89.0601 2.1E3 115.0754 1.5E3 117.0912 5.2E3 133.0857 2.8E3 175.1329 2.6E3 177.1119 1.3E3 233.1745 1.4E3 441.2701 4.5E3 455.2855 1.3E3 554.3540 1.9E3 578.4156 1.2E3 582.4100 1.4E3 596.4257 3.0E3 667.4380 2.3E3 671.4313 2.3E3 677.4834 1.2E3 685.4488 2.3E4 686.4517 4.8E3 695.4957 3.1E3 699.4642 8.4E3 700.4670 1.9E3 711.4523 1.2E3 743.4525 1.1E3 810.5203 1.4E3 877.5994 1.1E3 905.5928 1.7E3 923.6042 4.6E3 924.6066 1.5E3 937.6219 1.0E3 1008.6506 2.3E3 1008.6976 1.0E3 1018.6794 6.7E3 1019.6801 1.6E3 1036.6897 3.9E4 1037.6930 1.2E4 1038.6962 1.1E3 1058.5841 1.0E3 1075.6029 2.5E3 1076.5988 3.7E3 1077.5941 1.3E3 1093.6132 2.4E3 1094.6099 7.1E3 END IONS BEGIN IONS FEATURE_ID=519 PEPMASS=1095.7659 SCANS=519 RTINSECONDS=2120.101 CHARGE=1+ MSLEVEL=2 86.0965 1.6E3 87.0918 4.7E3 117.0908 3.1E3 227.1751 2.3E3 229.1177 1.0E3 245.1854 1.4E3 326.2428 1.3E3 328.1860 1.6E3 338.2322 2.3E3 342.2017 1.4E3 356.2429 1.3E3 360.2122 2.1E3 423.2589 2.4E3 441.2702 1.4E4 451.3163 3.0E3 455.2854 1.5E3 459.2815 2.7E3 469.3261 5.3E3 487.3369 1.1E3 508.3488 2.0E3 526.3593 1.5E3 536.3431 3.7E3 546.3889 1.4E3 554.3538 7.1E3 564.3998 6.1E3 568.3718 1.0E3 568.3951 1.6E3 572.3639 3.3E3 582.4105 1.3E4 583.4146 1.5E3 639.4439 1.4E3 645.4575 1.4E3 663.4693 5.6E3 664.4733 1.2E3 667.4385 9.5E3 668.4416 1.3E3 679.4275 1.5E3 681.4788 1.1E4 682.4821 2.4E3 685.4486 1.1E5 686.4518 1.5E4 695.4941 1.3E3 697.4371 6.0E3 751.4844 1.1E3 760.4843 1.6E3 778.4944 3.6E3 792.5124 1.4E3 794.5622 4.5E3 795.5653 1.2E3 796.5053 4.9E3 797.5105 1.0E3 810.5215 2.2E3 863.5848 3.0E3 891.5797 7.8E3 892.5846 2.3E3 895.5736 1.2E3 905.5944 1.5E3 907.6453 1.2E3 909.5897 1.5E4 910.5925 2.9E3 923.6057 3.3E3 976.6680 1.3E3 977.6524 1.7E3 986.6514 1.3E3 994.6798 7.0E3 995.6826 1.6E3 1004.6635 2.5E4 1005.6682 5.1E3 1008.6589 6.0E3 1009.6628 2.5E3 1022.6738 1.2E5 1023.6774 3.1E4 1024.6808 1.6E3 1050.7047 1.5E3 END IONS BEGIN IONS FEATURE_ID=520 PEPMASS=1095.7647 SCANS=520 RTINSECONDS=2142.14 CHARGE=1+ MSLEVEL=2 86.0965 1.9E3 87.0919 1.5E3 117.0911 2.9E3 175.1324 1.3E3 227.1747 2.3E3 245.1855 1.1E3 326.2429 2.3E3 328.1856 1.9E3 338.2325 2.2E3 356.2419 1.0E3 360.2120 2.0E3 395.2652 1.2E3 423.2593 2.1E3 441.2701 1.3E4 451.3161 2.7E3 459.2812 2.3E3 469.3269 5.4E3 487.3369 1.4E3 508.3489 2.2E3 526.3598 1.6E3 536.3439 3.1E3 546.3891 1.9E3 552.3014 1.1E3 554.3541 7.9E3 564.3994 6.7E3 572.3645 4.0E3 582.4103 1.6E4 583.4130 1.8E3 584.3538 1.3E3 586.3807 1.3E3 639.4426 1.2E3 645.4581 1.6E3 649.4269 1.1E3 663.4680 5.1E3 664.4706 1.1E3 667.4381 8.8E3 668.4413 1.3E3 679.4263 1.7E3 681.4786 1.4E4 682.4816 2.0E3 685.4485 9.9E4 686.4520 1.5E4 695.4943 1.4E3 697.4385 5.6E3 698.4411 1.2E3 751.4837 1.0E3 778.4949 4.4E3 779.4980 1.2E3 792.5107 1.4E3 794.5631 4.4E3 796.5060 5.4E3 797.5078 1.2E3 810.5200 1.7E3 863.5828 3.0E3 873.5701 1.7E3 891.5782 7.6E3 892.5817 1.9E3 905.5945 1.3E3 909.5899 1.3E4 910.5931 3.2E3 923.6053 4.4E3 976.6692 1.7E3 977.6528 1.5E3 986.6497 1.7E3 994.6791 7.3E3 995.6852 2.2E3 1004.6637 2.1E4 1005.6658 5.5E3 1006.6686 1.0E3 1008.6582 2.0E3 1022.6738 1.2E5 1023.6772 3.4E4 1024.6786 2.3E3 END IONS BEGIN IONS FEATURE_ID=521 PEPMASS=1095.7604 SCANS=521 RTINSECONDS=2222.52 CHARGE=1+ MSLEVEL=2 85.0764 1.0E3 86.0969 1.0E3 117.0910 2.6E3 245.1860 1.6E3 342.2021 1.3E3 352.2480 1.3E3 441.2695 2.0E3 455.2857 5.0E3 465.3316 1.5E3 473.2965 1.2E3 483.3424 2.7E3 568.3701 3.0E3 578.4159 2.7E3 586.3805 1.9E3 596.4266 6.9E3 667.4402 1.2E3 681.4539 2.8E3 685.4490 1.0E4 686.4525 5.5E3 691.4990 1.4E3 695.4944 2.3E3 699.4644 3.0E4 700.4672 3.4E3 709.5104 4.6E3 711.4531 2.0E3 713.4813 3.9E3 806.5258 2.1E3 822.5935 1.6E3 824.5376 2.2E3 891.6154 1.1E3 919.6110 3.4E3 924.6080 1.3E3 937.6217 7.6E3 938.6220 1.7E3 1018.6766 1.9E3 1019.6818 1.8E3 1022.7172 2.6E3 1032.6946 7.0E3 1033.6957 1.6E3 1036.6892 9.1E3 1037.6929 9.3E3 1038.6987 2.6E3 1050.7061 4.5E4 1051.7096 1.2E4 1059.5857 1.2E3 1076.5952 2.0E3 1077.5980 3.0E3 1078.5944 1.0E3 1094.6100 3.2E3 1095.6089 4.3E3 1096.6091 1.3E3 END IONS BEGIN IONS FEATURE_ID=522 PEPMASS=1095.7676 SCANS=522 RTINSECONDS=2394.768 CHARGE=1+ MSLEVEL=2 86.0969 1.4E3 227.1757 1.8E3 245.1854 1.3E3 342.2019 2.0E3 352.2484 1.0E3 441.2698 4.1E3 455.2861 5.1E3 465.3322 1.6E3 473.2975 1.1E3 479.3486 1.3E3 483.3428 1.2E3 497.3587 1.6E3 554.3547 2.0E3 568.3704 3.3E3 578.4156 2.5E3 586.3812 1.7E3 592.4317 1.5E3 596.4260 4.9E3 610.4423 4.1E3 667.4370 2.7E3 677.4849 1.5E3 681.4550 3.4E3 685.4485 2.7E4 686.4515 4.0E3 691.4985 3.5E3 695.4944 2.7E3 699.4640 3.6E4 700.4679 3.6E3 709.5098 6.3E3 710.5148 1.2E3 711.4532 1.1E3 725.4698 2.4E3 806.5265 2.6E3 822.5915 2.2E3 824.5373 5.8E3 825.5393 1.2E3 838.5529 1.7E3 891.6176 1.3E3 919.6104 4.6E3 937.6205 9.1E3 938.6228 1.4E3 951.6382 1.7E3 1005.6829 1.3E3 1022.7099 6.8E3 1032.6946 1.2E4 1033.6991 2.5E3 1036.6879 1.2E3 1037.6927 1.6E3 1050.7056 6.8E4 1051.7083 1.7E4 1064.7198 2.4E3 1077.6002 2.9E3 1094.6099 1.7E3 1095.6093 3.2E3 1096.6089 1.0E3 END IONS BEGIN IONS FEATURE_ID=523 PEPMASS=1095.7671 SCANS=523 RTINSECONDS=2400.828 CHARGE=1+ MSLEVEL=2 227.1755 1.5E3 328.1868 1.2E3 342.2021 1.0E3 360.2118 1.0E3 441.2697 4.7E3 455.2854 3.7E3 479.3477 1.2E3 483.3423 1.7E3 497.3587 1.9E3 536.3450 1.5E3 554.3558 1.9E3 568.3695 2.3E3 572.3640 1.1E3 586.3812 1.5E3 592.4324 1.8E3 596.4264 4.4E3 610.4413 5.0E3 611.4449 1.0E3 667.4377 4.0E3 681.4547 1.5E3 685.4483 3.4E4 686.4516 4.9E3 691.4990 2.1E3 695.4930 2.0E3 699.4641 2.3E4 700.4672 2.4E3 709.5099 7.1E3 710.5125 1.2E3 711.4551 1.2E3 725.4693 2.0E3 806.5250 2.2E3 822.5930 2.0E3 824.5361 5.0E3 838.5528 1.3E3 891.6152 1.7E3 919.6104 4.9E3 937.6212 7.6E3 938.6242 2.3E3 951.6354 1.5E3 1005.6862 1.1E3 1018.6800 1.3E3 1022.7115 5.8E3 1023.7136 1.2E3 1032.6951 1.0E4 1033.6979 1.7E3 1036.6884 2.7E3 1037.6943 2.0E3 1050.7050 6.2E4 1051.7080 1.4E4 1076.5948 2.2E3 1077.5992 2.6E3 1094.6094 1.9E3 1095.6073 2.9E3 END IONS BEGIN IONS FEATURE_ID=524 PEPMASS=1095.7677 SCANS=524 RTINSECONDS=2406.408 CHARGE=1+ MSLEVEL=2 227.1752 1.4E3 366.2632 1.3E3 441.2699 5.7E3 455.2852 1.6E3 459.2801 1.0E3 497.3570 2.8E3 536.3427 1.5E3 554.3536 3.8E3 568.3696 1.2E3 572.3650 2.0E3 592.4316 1.3E3 596.4270 1.0E3 610.4407 5.9E3 667.4380 4.4E3 685.4485 4.2E4 686.4518 4.9E3 691.4990 1.8E3 699.4639 8.0E3 709.5101 5.0E3 725.4697 2.7E3 779.5134 1.1E3 806.5243 1.8E3 822.5955 2.2E3 824.5380 2.9E3 891.6150 1.4E3 919.6093 4.4E3 937.6212 7.1E3 938.6215 1.4E3 951.6339 1.4E3 1018.6772 1.2E3 1022.7114 4.4E3 1032.6949 8.9E3 1033.6924 1.9E3 1036.6886 1.2E3 1037.6917 1.3E3 1050.7053 5.0E4 1051.7081 1.3E4 1076.5930 1.2E3 1077.5951 1.9E3 1094.6060 1.3E3 1095.6118 2.2E3 END IONS BEGIN IONS FEATURE_ID=525 PEPMASS=1095.7675 SCANS=525 RTINSECONDS=2418.141 CHARGE=1+ MSLEVEL=2 227.1752 1.4E3 366.2632 1.3E3 441.2699 5.7E3 455.2852 1.6E3 459.2801 1.0E3 497.3570 2.8E3 536.3427 1.5E3 554.3536 3.8E3 568.3696 1.2E3 572.3650 2.0E3 592.4316 1.3E3 596.4270 1.0E3 610.4407 5.9E3 667.4380 4.4E3 685.4485 4.2E4 686.4518 4.9E3 691.4990 1.8E3 699.4639 8.0E3 709.5101 5.0E3 725.4697 2.7E3 779.5134 1.1E3 806.5243 1.8E3 822.5955 2.2E3 824.5380 2.9E3 891.6150 1.4E3 919.6093 4.4E3 937.6212 7.1E3 938.6215 1.4E3 951.6339 1.4E3 1018.6772 1.2E3 1022.7114 4.4E3 1032.6949 8.9E3 1033.6924 1.9E3 1036.6886 1.2E3 1037.6917 1.3E3 1050.7053 5.0E4 1051.7081 1.3E4 1076.5930 1.2E3 1077.5951 1.9E3 1094.6060 1.3E3 1095.6118 2.2E3 END IONS BEGIN IONS FEATURE_ID=526 PEPMASS=1095.7667 SCANS=526 RTINSECONDS=2418.676 CHARGE=1+ MSLEVEL=2 227.1752 1.4E3 366.2632 1.3E3 441.2699 5.7E3 455.2852 1.6E3 459.2801 1.0E3 497.3570 2.8E3 536.3427 1.5E3 554.3536 3.8E3 568.3696 1.2E3 572.3650 2.0E3 592.4316 1.3E3 596.4270 1.0E3 610.4407 5.9E3 667.4380 4.4E3 685.4485 4.2E4 686.4518 4.9E3 691.4990 1.8E3 699.4639 8.0E3 709.5101 5.0E3 725.4697 2.7E3 779.5134 1.1E3 806.5243 1.8E3 822.5955 2.2E3 824.5380 2.9E3 891.6150 1.4E3 919.6093 4.4E3 937.6212 7.1E3 938.6215 1.4E3 951.6339 1.4E3 1018.6772 1.2E3 1022.7114 4.4E3 1032.6949 8.9E3 1033.6924 1.9E3 1036.6886 1.2E3 1037.6917 1.3E3 1050.7053 5.0E4 1051.7081 1.3E4 1076.5930 1.2E3 1077.5951 1.9E3 1094.6060 1.3E3 1095.6118 2.2E3 END IONS BEGIN IONS FEATURE_ID=527 PEPMASS=1095.7665 SCANS=527 RTINSECONDS=2419.745 CHARGE=1+ MSLEVEL=2 227.1752 1.4E3 366.2632 1.3E3 441.2699 5.7E3 455.2852 1.6E3 459.2801 1.0E3 497.3570 2.8E3 536.3427 1.5E3 554.3536 3.8E3 568.3696 1.2E3 572.3650 2.0E3 592.4316 1.3E3 596.4270 1.0E3 610.4407 5.9E3 667.4380 4.4E3 685.4485 4.2E4 686.4518 4.9E3 691.4990 1.8E3 699.4639 8.0E3 709.5101 5.0E3 725.4697 2.7E3 779.5134 1.1E3 806.5243 1.8E3 822.5955 2.2E3 824.5380 2.9E3 891.6150 1.4E3 919.6093 4.4E3 937.6212 7.1E3 938.6215 1.4E3 951.6339 1.4E3 1018.6772 1.2E3 1022.7114 4.4E3 1032.6949 8.9E3 1033.6924 1.9E3 1036.6886 1.2E3 1037.6917 1.3E3 1050.7053 5.0E4 1051.7081 1.3E4 1076.5930 1.2E3 1077.5951 1.9E3 1094.6060 1.3E3 1095.6118 2.2E3 END IONS BEGIN IONS FEATURE_ID=528 PEPMASS=1095.7670 SCANS=528 RTINSECONDS=2420.28 CHARGE=1+ MSLEVEL=2 227.1752 1.4E3 366.2632 1.3E3 441.2699 5.7E3 455.2852 1.6E3 459.2801 1.0E3 497.3570 2.8E3 536.3427 1.5E3 554.3536 3.8E3 568.3696 1.2E3 572.3650 2.0E3 592.4316 1.3E3 596.4270 1.0E3 610.4407 5.9E3 667.4380 4.4E3 685.4485 4.2E4 686.4518 4.9E3 691.4990 1.8E3 699.4639 8.0E3 709.5101 5.0E3 725.4697 2.7E3 779.5134 1.1E3 806.5243 1.8E3 822.5955 2.2E3 824.5380 2.9E3 891.6150 1.4E3 919.6093 4.4E3 937.6212 7.1E3 938.6215 1.4E3 951.6339 1.4E3 1018.6772 1.2E3 1022.7114 4.4E3 1032.6949 8.9E3 1033.6924 1.9E3 1036.6886 1.2E3 1037.6917 1.3E3 1050.7053 5.0E4 1051.7081 1.3E4 1076.5930 1.2E3 1077.5951 1.9E3 1094.6060 1.3E3 1095.6118 2.2E3 END IONS BEGIN IONS FEATURE_ID=529 PEPMASS=1095.7643 SCANS=529 RTINSECONDS=2430.96 CHARGE=1+ MSLEVEL=2 441.2698 5.0E3 497.3583 2.4E3 554.3533 1.9E3 572.3635 1.4E3 610.4417 4.0E3 667.4380 3.9E3 685.4484 3.4E4 686.4519 5.4E3 699.4622 1.3E3 709.5102 4.7E3 723.5241 1.1E3 725.4675 1.2E3 806.5255 1.8E3 824.5358 1.5E3 919.6116 2.2E3 937.6214 4.9E3 951.6375 2.1E3 1018.6746 1.3E3 1022.7109 2.5E3 1032.6940 3.8E3 1046.7048 1.5E3 1050.7048 2.5E4 1051.7080 7.2E3 1064.7202 6.9E3 1065.7209 1.5E3 1095.6058 1.2E3 END IONS BEGIN IONS FEATURE_ID=530 PEPMASS=1099.7061 SCANS=530 RTINSECONDS=2086.627 CHARGE=1+ MSLEVEL=2 87.0441 2.3E3 89.0598 3.4E3 115.0755 3.1E3 117.0912 9.0E3 133.0857 3.9E3 173.1172 1.1E3 175.1329 4.7E3 177.1121 2.9E3 233.1745 4.1E3 245.1314 1.2E3 291.2158 1.0E3 346.1420 1.3E3 352.2478 2.3E3 441.2702 2.9E3 459.2269 8.0E3 459.2807 1.4E3 465.3309 3.1E3 483.3419 3.2E3 544.3154 1.3E3 554.3000 1.0E3 572.3109 4.3E3 578.4152 1.7E3 590.3204 2.4E3 596.3718 2.3E3 596.4269 5.3E3 598.3699 1.1E3 604.3378 1.2E3 614.3828 5.4E3 685.3954 6.1E3 695.4414 2.0E3 695.4940 1.9E3 703.4051 6.5E4 704.4084 7.2E3 711.4530 2.3E3 713.4515 4.5E3 810.4677 1.5E3 810.5216 1.2E3 826.5359 2.4E3 828.4783 3.5E3 895.5558 1.8E3 923.5525 4.6E3 941.5616 1.0E4 942.5646 1.7E3 955.5771 2.9E3 1026.6504 5.7E3 1027.6533 1.2E3 1035.6772 3.4E3 1036.6354 1.3E4 1036.6798 1.0E3 1037.6381 3.9E3 1044.5654 1.3E3 1053.6890 1.4E3 1054.6462 7.1E4 1055.6498 1.7E4 1062.5785 2.8E3 1063.5802 2.8E3 1064.5775 1.1E3 END IONS BEGIN IONS FEATURE_ID=531 PEPMASS=1100.5781 SCANS=531 RTINSECONDS=888.111 CHARGE=1+ MSLEVEL=2 230.1129 3.2E3 245.1282 2.1E3 337.2223 3.5E3 360.1919 1.1E3 365.2180 1.1E4 399.2022 1.3E3 440.2504 3.2E3 507.2597 1.2E3 577.2953 2.9E3 594.3239 7.1E4 595.3278 6.1E3 604.3133 1.7E3 609.3386 7.9E3 627.3480 1.3E3 661.3348 1.8E3 741.3919 2.3E3 821.4183 1.9E3 838.4446 3.8E4 839.4478 6.2E3 843.4750 1.5E3 871.4703 2.2E4 872.4722 3.1E3 968.5237 1.1E3 1001.5093 2.5E3 1082.5641 1.5E3 1083.5500 5.2E3 1100.5769 8.9E4 1101.5800 2.4E4 END IONS BEGIN IONS FEATURE_ID=532 PEPMASS=1100.5784 SCANS=532 RTINSECONDS=900.099 CHARGE=1+ MSLEVEL=2 230.1129 3.2E3 245.1282 2.1E3 337.2223 3.5E3 360.1919 1.1E3 365.2180 1.1E4 399.2022 1.3E3 440.2504 3.2E3 507.2597 1.2E3 577.2953 2.9E3 594.3239 7.1E4 595.3278 6.1E3 604.3133 1.7E3 609.3386 7.9E3 627.3480 1.3E3 661.3348 1.8E3 741.3919 2.3E3 821.4183 1.9E3 838.4446 3.8E4 839.4478 6.2E3 843.4750 1.5E3 871.4703 2.2E4 872.4722 3.1E3 968.5237 1.1E3 1001.5093 2.5E3 1082.5641 1.5E3 1083.5500 5.2E3 1100.5769 8.9E4 1101.5800 2.4E4 END IONS BEGIN IONS FEATURE_ID=533 PEPMASS=1106.7429 SCANS=533 RTINSECONDS=2130.162 CHARGE=1 MSLEVEL=2 85.0764 1.3E5 86.0797 1.1E3 86.0842 3.5E3 86.0968 1.6E3 91.5082 1.6E3 227.1753 1.5E3 229.1180 1.1E3 245.1859 1.1E3 326.2446 1.6E3 328.1868 1.9E3 338.2316 2.5E3 342.2020 1.1E3 360.2130 1.9E3 423.2603 1.8E3 441.2701 1.4E4 442.2735 1.3E3 451.3162 2.9E3 455.2863 1.5E3 459.2812 1.6E3 469.3269 5.0E3 487.3381 2.0E3 508.3485 2.3E3 526.3603 1.7E3 536.3433 3.0E3 546.3900 1.8E3 554.3542 6.4E3 564.3997 6.1E3 572.3641 3.6E3 582.4104 1.4E4 583.4146 1.9E3 586.3807 1.1E3 645.4583 1.5E3 663.4682 6.0E3 667.4378 9.2E3 668.4427 1.2E3 679.4269 1.6E3 681.4788 1.3E4 682.4820 2.3E3 685.4485 1.0E5 686.4514 1.4E4 695.4962 1.1E3 697.4374 5.0E3 698.4406 1.3E3 751.4834 1.4E3 760.4852 1.0E3 778.4954 4.7E3 794.5616 4.3E3 796.5071 5.2E3 810.5195 2.1E3 863.5839 4.0E3 873.5682 1.9E3 891.5789 8.2E3 892.5837 1.9E3 909.5895 1.6E4 910.5933 2.8E3 923.6053 3.0E3 976.6675 1.7E3 977.6517 2.2E3 986.6479 2.3E3 994.6791 8.3E3 995.6789 2.5E3 1004.6635 2.3E4 1005.6669 6.2E3 1022.6738 1.4E5 1023.6771 3.1E4 1024.6785 1.1E3 END IONS BEGIN IONS FEATURE_ID=534 PEPMASS=1106.7433 SCANS=534 RTINSECONDS=2150.31 CHARGE=1+ MSLEVEL=2 85.0764 1.3E5 86.0843 3.9E3 86.0969 2.7E3 91.5082 2.1E3 117.0911 1.5E3 227.1756 1.8E3 326.2447 1.9E3 328.1871 2.0E3 338.2319 2.2E3 356.2429 1.1E3 360.2123 2.0E3 395.2655 1.4E3 423.2592 2.3E3 441.2701 1.5E4 451.3162 3.9E3 455.2852 1.2E3 459.2815 3.0E3 469.3262 5.2E3 508.3497 2.7E3 526.3594 1.6E3 536.3429 2.8E3 546.3896 1.7E3 554.3538 9.3E3 564.3992 6.3E3 572.3648 3.4E3 582.4104 1.5E4 583.4146 2.3E3 584.3539 1.3E3 586.3817 1.3E3 645.4582 1.4E3 663.4684 5.5E3 667.4387 7.6E3 668.4416 1.8E3 679.4282 2.3E3 681.4789 1.4E4 682.4843 2.6E3 685.4487 1.1E5 686.4519 1.4E4 695.4960 1.9E3 697.4371 5.7E3 751.4842 1.4E3 760.4853 1.5E3 776.5520 1.1E3 778.4955 3.8E3 794.5635 3.6E3 796.5058 5.9E3 810.5228 2.9E3 863.5862 3.5E3 864.5648 1.0E3 873.5702 2.2E3 891.5803 9.6E3 892.5812 1.6E3 905.5912 1.1E3 907.6453 1.0E3 909.5901 1.6E4 910.5920 2.9E3 923.6057 4.8E3 977.6530 1.9E3 994.6797 1.1E4 995.6812 1.2E3 1004.6638 2.6E4 1005.6670 6.7E3 1022.6740 1.4E5 1023.6771 3.2E4 1024.6798 1.1E3 1105.5966 1.1E3 END IONS BEGIN IONS FEATURE_ID=535 PEPMASS=1106.7448 SCANS=535 RTINSECONDS=2172.566 CHARGE=1+ MSLEVEL=2 85.0765 1.2E4 117.0911 2.6E3 441.2702 1.8E3 582.4102 1.9E3 667.4371 2.6E3 681.4775 2.5E3 685.4485 1.7E4 686.4516 2.0E3 796.5038 1.0E3 863.5797 1.0E3 891.5766 1.2E3 909.5889 2.3E3 1004.6634 3.6E3 1018.6743 1.5E3 1019.6810 1.1E3 1022.6743 2.6E4 1023.6785 5.6E3 END IONS BEGIN IONS FEATURE_ID=536 PEPMASS=1106.7441 SCANS=536 RTINSECONDS=2184.343 CHARGE=1+ MSLEVEL=2 85.0765 1.2E4 117.0911 2.6E3 441.2702 1.8E3 582.4102 1.9E3 667.4371 2.6E3 681.4775 2.5E3 685.4485 1.7E4 686.4516 2.0E3 796.5038 1.0E3 863.5797 1.0E3 891.5766 1.2E3 909.5889 2.3E3 1004.6634 3.6E3 1018.6743 1.5E3 1019.6810 1.1E3 1022.6743 2.6E4 1023.6785 5.6E3 END IONS BEGIN IONS FEATURE_ID=537 PEPMASS=1106.7436 SCANS=537 RTINSECONDS=2252.538 CHARGE=1+ MSLEVEL=2 85.0764 1.3E4 441.2691 2.0E3 554.3532 1.2E3 582.4108 2.1E3 667.4386 1.3E3 671.4324 5.8E3 681.4789 1.3E3 685.4482 1.1E4 686.4514 1.9E3 695.4932 1.6E3 697.4383 1.0E3 699.4661 1.0E3 891.5779 1.7E3 909.5917 2.2E3 923.6034 1.4E3 994.6754 1.5E3 1004.6651 5.3E3 1005.6654 1.3E3 1022.6744 2.8E4 1023.6774 7.3E3 1088.6160 3.1E3 1105.6246 1.6E3 1106.6298 5.9E3 1107.6251 1.5E3 END IONS BEGIN IONS FEATURE_ID=538 PEPMASS=1106.7435 SCANS=538 RTINSECONDS=2256.947 CHARGE=1+ MSLEVEL=2 85.0764 1.3E4 441.2691 2.0E3 554.3532 1.2E3 582.4108 2.1E3 667.4386 1.3E3 671.4324 5.8E3 681.4789 1.3E3 685.4482 1.1E4 686.4514 1.9E3 695.4932 1.6E3 697.4383 1.0E3 699.4661 1.0E3 891.5779 1.7E3 909.5917 2.2E3 923.6034 1.4E3 994.6754 1.5E3 1004.6651 5.3E3 1005.6654 1.3E3 1022.6744 2.8E4 1023.6774 7.3E3 1088.6160 3.1E3 1105.6246 1.6E3 1106.6298 5.9E3 1107.6251 1.5E3 END IONS BEGIN IONS FEATURE_ID=539 PEPMASS=1106.7466 SCANS=539 RTINSECONDS=2263.122 CHARGE=1+ MSLEVEL=2 85.0764 1.3E4 441.2691 2.0E3 554.3532 1.2E3 582.4108 2.1E3 667.4386 1.3E3 671.4324 5.8E3 681.4789 1.3E3 685.4482 1.1E4 686.4514 1.9E3 695.4932 1.6E3 697.4383 1.0E3 699.4661 1.0E3 891.5779 1.7E3 909.5917 2.2E3 923.6034 1.4E3 994.6754 1.5E3 1004.6651 5.3E3 1005.6654 1.3E3 1022.6744 2.8E4 1023.6774 7.3E3 1088.6160 3.1E3 1105.6246 1.6E3 1106.6298 5.9E3 1107.6251 1.5E3 END IONS BEGIN IONS FEATURE_ID=540 PEPMASS=1106.7433 SCANS=540 RTINSECONDS=2264.655 CHARGE=1+ MSLEVEL=2 85.0764 1.3E4 441.2691 2.0E3 554.3532 1.2E3 582.4108 2.1E3 667.4386 1.3E3 671.4324 5.8E3 681.4789 1.3E3 685.4482 1.1E4 686.4514 1.9E3 695.4932 1.6E3 697.4383 1.0E3 699.4661 1.0E3 891.5779 1.7E3 909.5917 2.2E3 923.6034 1.4E3 994.6754 1.5E3 1004.6651 5.3E3 1005.6654 1.3E3 1022.6744 2.8E4 1023.6774 7.3E3 1088.6160 3.1E3 1105.6246 1.6E3 1106.6298 5.9E3 1107.6251 1.5E3 END IONS BEGIN IONS FEATURE_ID=541 PEPMASS=1106.7435 SCANS=541 RTINSECONDS=2269.032 CHARGE=1+ MSLEVEL=2 85.0764 6.5E3 91.5082 1.1E3 117.0913 1.1E3 441.2705 1.4E3 554.3551 1.1E3 671.4328 2.3E3 681.4797 1.0E3 685.4486 9.9E3 686.4518 1.4E3 699.4653 1.4E3 891.5803 1.2E3 909.5901 2.1E3 1004.6620 3.1E3 1022.6744 1.7E4 1023.6771 3.8E3 1050.7048 1.8E3 1074.5975 1.4E3 1087.6185 1.3E3 1088.6162 5.8E3 1089.6138 1.3E3 1105.6292 4.1E3 1106.6268 1.7E4 1107.6284 4.8E3 END IONS BEGIN IONS FEATURE_ID=542 PEPMASS=1106.7434 SCANS=542 RTINSECONDS=2271.59 CHARGE=1+ MSLEVEL=2 85.0764 6.5E3 91.5082 1.1E3 117.0913 1.1E3 441.2705 1.4E3 554.3551 1.1E3 671.4328 2.3E3 681.4797 1.0E3 685.4486 9.9E3 686.4518 1.4E3 699.4653 1.4E3 891.5803 1.2E3 909.5901 2.1E3 1004.6620 3.1E3 1022.6744 1.7E4 1023.6771 3.8E3 1050.7048 1.8E3 1074.5975 1.4E3 1087.6185 1.3E3 1088.6162 5.8E3 1089.6138 1.3E3 1105.6292 4.1E3 1106.6268 1.7E4 1107.6284 4.8E3 END IONS BEGIN IONS FEATURE_ID=543 PEPMASS=1108.7605 SCANS=543 RTINSECONDS=2242.38 CHARGE=1+ MSLEVEL=2 85.0765 2.0E3 87.0921 7.0E3 117.0911 1.5E3 441.2700 1.2E3 455.2866 2.3E3 483.3417 1.4E3 568.3700 1.6E3 578.4150 1.4E3 596.4266 2.8E3 671.4318 2.6E3 685.4483 5.8E3 686.4530 1.1E3 691.4984 1.2E3 699.4648 1.4E4 700.4673 3.6E3 709.5084 2.0E3 711.4532 1.1E3 824.5341 1.4E3 919.6108 1.1E3 937.6216 4.1E3 938.6216 1.3E3 1004.6600 1.5E3 1022.6725 5.8E3 1023.6729 2.3E3 1032.6949 3.7E3 1033.6952 1.7E3 1036.6906 3.1E3 1050.7051 1.7E4 1051.7084 7.4E3 1052.7113 1.0E3 1072.6030 1.1E3 1089.6134 2.2E3 1090.6136 3.5E3 1107.6279 3.1E3 1108.6250 5.0E3 1109.6239 1.4E3 END IONS BEGIN IONS FEATURE_ID=544 PEPMASS=1108.7591 SCANS=544 RTINSECONDS=2261.878 CHARGE=1+ MSLEVEL=2 85.0765 4.8E3 87.0921 4.1E3 441.2699 1.6E3 455.2860 1.3E3 465.3323 1.0E3 483.3418 1.2E3 568.3706 2.1E3 578.4156 1.6E3 586.3799 1.2E3 596.4265 3.5E3 668.4408 1.2E3 671.4327 4.2E3 677.4838 1.5E3 685.4489 5.9E3 686.4519 5.5E3 687.4543 1.9E3 695.4938 5.3E3 699.4642 2.1E4 700.4682 3.4E3 824.5366 3.0E3 919.6101 1.1E3 923.6014 1.2E3 937.6213 2.7E3 1004.6619 1.2E3 1005.6649 1.9E3 1006.6697 1.0E3 1022.6705 7.9E3 1023.6767 1.1E4 1024.6804 9.4E3 1025.6836 1.0E3 1032.6899 2.3E3 1036.6857 1.2E3 1050.7058 2.7E4 1051.7090 8.3E3 1058.5856 1.0E3 1089.6173 1.4E3 1090.6160 3.1E3 1107.6283 3.5E3 1108.6238 6.6E3 1109.6224 1.6E3 END IONS BEGIN IONS FEATURE_ID=545 PEPMASS=1108.7608 SCANS=545 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 366.2629 1.1E3 441.2701 4.8E3 479.3460 1.2E3 497.3584 2.4E3 554.3531 3.2E3 592.4304 1.6E3 610.4409 5.0E3 667.4379 3.3E3 685.4485 3.4E4 686.4527 7.0E3 709.5105 4.3E3 725.4687 1.5E3 822.5903 1.1E3 824.5366 1.2E3 891.6139 1.4E3 919.6091 1.9E3 937.6212 4.4E3 938.6246 1.1E3 951.6335 1.3E3 1018.6756 1.4E3 1022.7156 2.4E3 1032.6936 4.8E3 1033.6943 1.9E3 1036.6847 2.0E3 1050.7053 3.2E4 1051.7084 1.0E4 1089.6188 3.3E3 1090.6123 8.8E3 1091.6123 1.3E3 1107.6284 5.3E3 1108.6245 9.2E3 1109.6255 2.0E3 END IONS BEGIN IONS FEATURE_ID=546 PEPMASS=1109.7441 SCANS=546 RTINSECONDS=2102.299 CHARGE=1+ MSLEVEL=2 85.0764 9.5E3 86.0717 1.1E3 86.0799 1.2E3 86.0843 3.7E3 86.0952 1.0E3 86.0968 4.8E3 87.0920 3.5E5 88.0872 1.4E3 88.0889 1.0E3 88.0953 1.2E4 89.0601 1.1E3 91.5060 2.0E3 117.0911 3.2E3 133.0860 1.8E3 173.6578 1.4E3 175.1329 2.6E3 201.1233 1.2E3 227.1751 5.3E3 229.1185 2.3E3 245.1855 3.6E3 326.2431 4.0E3 328.1856 3.9E3 338.2327 4.7E3 342.2019 4.1E3 356.2423 2.8E3 360.2124 4.6E3 395.2651 2.4E3 413.2752 1.4E3 423.2592 4.8E3 441.2701 3.1E4 442.2738 4.0E3 451.3159 7.9E3 452.3202 1.3E3 455.2857 3.0E3 457.3388 1.0E3 459.2808 5.9E3 460.2839 1.1E3 469.3265 1.2E4 470.3303 1.9E3 487.3366 2.9E3 508.3489 4.9E3 526.3593 3.2E3 536.3436 8.5E3 546.3890 4.3E3 552.3015 1.2E3 554.3535 1.4E4 554.4149 1.6E3 555.3570 2.9E3 564.3996 1.3E4 565.4038 2.5E3 568.3694 1.5E3 568.3927 1.1E3 572.3644 7.5E3 582.4103 3.2E4 583.4131 4.9E3 584.3530 2.6E3 585.4205 1.1E3 586.3788 2.7E3 639.4426 1.3E3 645.4572 4.0E3 649.4280 2.5E3 651.4306 1.2E3 663.4683 1.5E4 664.4720 1.9E3 665.3874 1.0E3 667.4379 2.0E4 668.4402 3.6E3 669.4433 1.8E3 679.4267 3.4E3 680.4300 1.2E3 681.4788 2.7E4 682.4807 5.3E3 683.4242 1.2E3 685.4483 2.2E5 686.4514 4.6E4 687.4551 5.8E3 695.4938 3.7E3 697.4366 1.2E4 698.4407 2.5E3 750.5010 1.7E3 751.4830 3.0E3 760.4846 1.7E3 776.5520 1.4E3 778.4958 9.3E3 779.4980 2.4E3 792.5112 3.1E3 794.5636 8.8E3 795.5662 2.3E3 796.5064 1.1E4 797.5082 2.1E3 810.5196 5.1E3 811.5233 1.1E3 845.5740 2.2E3 863.5840 1.1E4 864.5737 2.2E3 873.5686 2.4E3 874.5708 1.0E3 881.5937 1.3E3 891.5795 1.7E4 892.5825 5.3E3 893.6321 1.2E3 905.5958 3.2E3 907.6466 1.2E3 909.5895 3.5E4 910.5928 8.5E3 911.5940 2.4E3 923.6052 7.2E3 924.6092 2.8E3 976.6650 3.2E3 977.6533 2.3E3 986.6515 3.4E3 991.6481 1.3E3 994.6783 1.8E4 995.6826 5.8E3 996.6856 1.6E3 1004.6630 5.1E4 1005.6670 1.6E4 1006.6697 2.5E3 1008.6575 3.7E3 1009.6606 5.0E3 1010.6624 1.6E3 1022.6735 2.8E5 1023.6769 9.2E4 1024.6799 1.5E4 1025.6838 6.8E3 END IONS BEGIN IONS FEATURE_ID=547 PEPMASS=1109.7423 SCANS=547 RTINSECONDS=2142.14 CHARGE=1+ MSLEVEL=2 85.0764 1.1E4 86.0797 1.8E3 86.0842 4.7E3 86.0967 7.4E3 87.0920 3.2E5 88.0872 1.3E3 88.0953 8.9E3 89.0601 1.1E3 91.5083 1.3E3 117.0910 1.5E3 199.1804 1.5E3 207.2305 1.1E3 227.1753 6.0E3 229.1177 2.5E3 245.1858 3.3E3 326.2434 4.6E3 328.1856 4.9E3 338.2314 5.7E3 342.2017 3.6E3 356.2425 3.3E3 357.3106 1.2E3 360.2126 5.5E3 395.2643 2.8E3 413.2746 1.0E3 423.2597 5.1E3 433.3063 1.1E3 437.2758 1.1E3 441.2701 3.4E4 442.2731 3.2E3 451.3159 8.5E3 455.2857 3.6E3 457.3373 1.3E3 459.2799 6.3E3 469.3265 1.4E4 470.3305 2.0E3 487.3373 3.2E3 508.3487 5.6E3 509.3343 1.2E3 526.3589 4.5E3 536.3437 7.6E3 536.4058 1.1E3 537.3466 1.0E3 538.3487 1.1E3 546.3893 4.7E3 552.3026 1.1E3 554.3541 1.9E4 554.4163 1.5E3 555.3566 3.1E3 556.3602 1.2E3 564.3997 1.6E4 565.4031 2.5E3 566.3425 1.3E3 568.3692 2.0E3 572.3642 7.8E3 582.4104 3.3E4 583.4134 5.8E3 584.3525 2.6E3 584.4175 1.3E3 585.4201 1.2E3 586.3799 3.8E3 621.4333 1.2E3 639.4441 1.5E3 645.4576 5.2E3 649.4277 3.5E3 651.4337 1.6E3 663.4681 1.4E4 664.4698 3.1E3 667.4381 2.2E4 668.4413 4.1E3 669.4437 1.8E3 679.4267 4.3E3 681.4785 3.1E4 682.4813 5.0E3 683.4861 1.5E3 685.4483 2.5E5 686.4517 4.2E4 687.4543 7.7E3 688.4573 1.4E3 695.4944 4.5E3 697.4370 1.2E4 698.4418 2.8E3 751.4849 2.0E3 760.4856 2.2E3 764.5167 1.7E3 776.5533 1.8E3 778.4956 9.4E3 779.4978 2.2E3 792.5124 3.0E3 794.5624 1.1E4 795.5651 2.0E3 796.5061 1.2E4 796.5654 1.0E3 797.5072 2.8E3 810.5195 5.6E3 845.5739 1.5E3 863.5845 8.4E3 864.5646 3.9E3 873.5682 3.0E3 881.5973 1.0E3 891.5789 2.4E4 892.5820 4.9E3 905.5923 2.5E3 907.6465 1.7E3 909.5895 3.5E4 910.5927 9.5E3 911.5977 2.6E3 923.6044 1.0E4 924.6074 2.5E3 976.6675 3.0E3 977.6509 4.3E3 986.6516 4.4E3 994.6779 2.0E4 995.6813 5.5E3 996.6837 1.2E3 1004.6629 5.6E4 1005.6656 1.6E4 1006.6674 2.4E3 1007.6735 1.1E3 1022.6735 2.9E5 1023.6766 8.4E4 1024.6799 1.8E4 1025.6807 6.6E3 END IONS BEGIN IONS FEATURE_ID=548 PEPMASS=1109.7422 SCANS=548 RTINSECONDS=2250.868 CHARGE=1+ MSLEVEL=2 85.0764 1.6E3 86.0968 1.0E3 87.0920 1.2E4 117.0912 1.9E3 227.1756 1.4E3 328.1867 1.3E3 360.2126 1.0E3 441.2704 7.3E3 455.2860 1.7E3 483.3427 2.7E3 536.3438 2.3E3 554.3540 4.3E3 572.3654 1.5E3 578.4155 1.9E3 582.4095 4.3E3 596.4261 5.6E3 653.4238 2.7E3 663.4673 1.7E3 667.4387 3.0E3 671.4334 2.8E4 672.4361 4.7E3 677.4832 2.4E3 681.4806 2.4E3 685.4485 2.3E4 686.4521 4.0E3 695.4952 4.4E3 696.4973 1.3E3 697.4373 2.1E3 699.4639 7.0E3 700.4670 3.8E3 792.5120 2.2E3 794.5607 1.9E3 796.5059 1.6E3 810.5235 2.1E3 824.5389 1.2E3 863.5828 1.4E3 891.5816 2.8E3 909.5914 4.5E3 923.6057 4.8E3 924.6069 1.4E3 937.6178 1.3E3 994.6794 3.5E3 1004.6641 9.1E3 1005.6676 3.1E3 1022.6744 5.4E4 1023.6770 1.6E4 1024.6783 2.0E3 1033.6948 1.7E3 1036.6884 5.5E3 1037.6896 1.2E3 1050.7065 7.2E3 1051.7090 6.1E3 1052.7090 1.9E3 1091.6101 1.1E3 1108.6212 1.3E3 1109.6230 1.6E3 END IONS BEGIN IONS FEATURE_ID=549 PEPMASS=1109.7795 SCANS=549 RTINSECONDS=2206.46 CHARGE=1+ MSLEVEL=2 86.0965 1.6E3 87.0918 1.3E3 227.1748 1.9E3 326.2433 1.0E3 328.1858 1.3E3 360.2116 1.2E3 370.2578 1.0E3 441.2704 8.3E3 459.2805 1.7E3 465.3318 2.3E3 483.3424 3.4E3 501.3531 1.1E3 536.3433 1.8E3 554.3544 5.5E3 555.3566 1.1E3 560.4052 1.5E3 572.3644 2.2E3 578.4160 4.4E3 596.4261 1.0E4 597.4299 1.7E3 649.4263 1.0E3 659.4736 1.2E3 667.4377 6.5E3 677.4844 4.3E3 685.4485 6.8E4 686.4516 1.2E4 695.4940 9.1E3 696.4970 1.3E3 699.4652 1.3E3 711.4531 2.9E3 792.5094 3.1E3 808.5789 2.8E3 810.5222 2.4E3 824.5369 1.3E3 877.5995 1.7E3 905.5953 4.8E3 906.5974 1.4E3 923.6054 9.4E3 924.6082 2.3E3 937.6208 2.3E3 990.6828 1.0E3 991.6711 1.4E3 1000.6674 1.1E3 1008.6951 6.6E3 1018.6788 1.7E4 1019.6816 5.0E3 1022.6722 1.3E3 1024.6810 1.3E3 1036.6895 8.6E4 1037.6927 2.3E4 1038.6926 2.6E3 END IONS BEGIN IONS FEATURE_ID=550 PEPMASS=1109.7794 SCANS=550 RTINSECONDS=2314.462 CHARGE=1+ MSLEVEL=2 91.5061 1.7E3 441.2702 4.6E3 469.3025 1.0E3 479.3474 1.2E3 483.3420 1.0E3 497.3575 1.9E3 554.3549 2.3E3 555.3578 1.3E3 578.4150 1.3E3 592.4304 1.3E3 596.4258 2.9E3 610.4414 3.8E3 611.4446 2.0E3 667.4384 3.2E3 668.4396 1.3E3 685.4485 3.3E4 686.4518 1.6E4 687.4557 2.2E3 691.4975 1.8E3 709.5106 6.4E3 710.5115 1.7E3 713.4796 1.3E4 714.4817 1.5E3 725.4686 3.2E3 726.4721 1.2E3 806.5252 1.6E3 822.5931 1.4E3 824.5377 1.2E3 838.5529 3.0E3 891.6132 1.0E3 919.6110 2.3E3 920.6126 1.3E3 933.6224 1.2E3 937.6200 4.1E3 938.6235 3.2E3 951.6363 4.3E3 952.6382 1.2E3 1018.6760 1.2E3 1022.7077 1.9E3 1023.7114 1.7E3 1032.6962 5.8E3 1033.6989 4.2E3 1034.6971 1.6E3 1036.6866 1.7E3 1046.7125 1.2E3 1050.7052 2.6E4 1051.7083 2.2E4 1052.7111 6.3E3 1064.7211 1.4E4 1065.7238 3.7E3 1090.6143 2.9E3 1091.6156 4.8E3 1108.6219 4.6E3 1109.6266 7.9E3 1110.6322 1.8E3 END IONS BEGIN IONS FEATURE_ID=551 PEPMASS=1109.7813 SCANS=551 RTINSECONDS=2328.362 CHARGE=1+ MSLEVEL=2 441.2700 4.0E3 465.3309 1.2E3 483.3431 1.8E3 554.3545 2.0E3 578.4164 2.8E3 596.4255 4.6E3 667.4374 2.3E3 677.4833 1.1E3 685.4485 2.4E4 686.4520 5.3E3 695.4958 3.5E3 709.5093 2.2E3 711.4508 1.0E3 713.4797 9.3E3 725.4671 1.2E3 810.5208 1.2E3 838.5519 1.8E3 905.5956 2.0E3 923.6052 4.6E3 937.6219 1.0E3 951.6396 2.1E3 1008.6921 1.7E3 1018.6775 4.9E3 1019.6788 1.5E3 1022.6727 1.3E3 1032.6907 1.6E3 1036.6884 2.3E4 1037.6899 5.7E3 1046.7091 1.4E3 1050.7057 3.8E3 1051.7087 2.9E3 1064.7208 1.2E4 1065.7245 2.6E3 1109.6237 1.3E3 END IONS BEGIN IONS FEATURE_ID=552 PEPMASS=1109.7828 SCANS=552 RTINSECONDS=2371.528 CHARGE=1+ MSLEVEL=2 374.2284 1.7E3 455.2861 3.4E3 469.3014 1.2E3 473.2960 1.9E3 479.3480 1.7E3 497.3574 3.2E3 568.3693 3.0E3 586.3791 2.1E3 592.4303 2.0E3 600.3957 1.2E3 610.4417 5.8E3 667.4359 1.8E3 681.4543 2.0E3 685.4489 3.7E3 691.4993 1.6E3 699.4643 4.0E4 700.4678 5.4E3 709.5107 5.9E3 723.5259 1.0E3 739.4847 2.9E3 838.5524 5.2E3 852.5681 1.1E3 951.6368 5.4E3 952.6359 1.6E3 1022.6707 1.3E3 1032.6932 2.2E3 1033.6980 1.2E3 1036.6801 1.2E3 1036.7233 3.7E3 1046.7115 3.9E3 1050.7030 1.7E3 1051.7014 1.7E3 1064.7213 3.5E4 1065.7244 1.0E4 1091.6111 1.9E3 1108.6229 1.0E3 1109.6252 2.6E3 END IONS BEGIN IONS FEATURE_ID=553 PEPMASS=1115.6989 SCANS=553 RTINSECONDS=1962.645 CHARGE=1+ MSLEVEL=2 91.5082 1.4E3 117.0912 2.3E3 175.1326 1.3E3 261.1266 1.4E3 332.2002 1.1E3 352.2482 1.1E3 360.1947 6.1E3 441.2704 1.3E3 457.2115 1.2E3 475.2211 8.8E3 481.2738 1.8E3 483.3436 1.3E3 499.2826 3.2E3 517.2935 3.0E3 524.3079 1.2E3 542.2994 1.0E3 570.2966 2.3E3 572.3653 1.1E3 588.3043 3.9E3 594.3588 1.2E3 596.4272 3.9E3 612.3664 3.0E3 630.3773 5.5E3 637.3917 1.1E3 655.4036 1.5E3 685.4486 3.5E3 693.4232 1.4E3 701.3889 8.1E3 711.4362 3.5E3 719.4000 5.8E4 720.4024 7.7E3 729.4458 1.0E4 730.4499 1.3E3 765.4995 1.0E3 808.4528 1.2E3 826.4601 4.2E3 842.5303 3.3E3 844.4737 3.9E3 858.4875 1.1E3 911.5516 1.2E3 921.5380 1.2E3 939.5464 7.2E3 940.5493 1.2E3 953.5596 1.1E3 957.5565 1.3E4 958.5593 2.5E3 971.5750 1.8E3 988.6314 3.8E3 1006.6420 1.3E4 1007.6455 3.0E3 1024.6381 1.4E3 1034.6193 2.1E3 1042.6460 9.1E3 1043.6500 2.4E3 1052.6305 2.6E4 1053.6334 6.5E3 1070.6410 1.2E5 1071.6440 3.2E4 1072.6414 3.2E3 1114.6101 1.4E3 1115.6053 1.1E3 END IONS BEGIN IONS FEATURE_ID=554 PEPMASS=1118.6412 SCANS=554 RTINSECONDS=2429.372 CHARGE=1+ MSLEVEL=2 739.3688 1.1E3 987.5482 1.5E3 1074.5789 1.9E3 1075.5817 2.8E3 1082.6179 3.8E3 1099.6324 4.6E3 1100.6304 2.5E4 1101.6333 4.4E3 1117.6426 1.2E4 1118.6415 6.9E4 1119.6432 1.5E4 END IONS BEGIN IONS FEATURE_ID=555 PEPMASS=1118.6413 SCANS=555 RTINSECONDS=2437.112 CHARGE=1+ MSLEVEL=2 739.3688 1.1E3 987.5482 1.5E3 1074.5789 1.9E3 1075.5817 2.8E3 1082.6179 3.8E3 1099.6324 4.6E3 1100.6304 2.5E4 1101.6333 4.4E3 1117.6426 1.2E4 1118.6415 6.9E4 1119.6432 1.5E4 END IONS BEGIN IONS FEATURE_ID=556 PEPMASS=1120.7595 SCANS=556 RTINSECONDS=2184.343 CHARGE=1+ MSLEVEL=2 85.0764 6.4E4 86.0842 2.0E3 112.0871 2.1E3 117.0913 1.3E3 227.1754 1.0E3 423.2601 1.7E3 441.2708 6.2E3 455.2863 1.4E3 459.2802 1.1E3 483.3421 2.6E3 508.3489 1.4E3 536.3439 1.4E3 554.3535 3.3E3 572.3657 1.3E3 578.4160 1.9E3 596.4258 6.4E3 667.4391 3.3E3 677.4844 3.9E3 685.4485 4.2E4 686.4517 5.4E3 695.4943 5.4E3 699.4641 3.6E3 711.4547 2.4E3 792.5112 1.6E3 808.5781 2.5E3 810.5223 2.1E3 877.6019 1.2E3 905.5955 2.6E3 923.6052 6.4E3 924.6083 1.6E3 937.6215 1.1E3 991.6696 1.2E3 1000.6663 1.1E3 1008.6956 3.9E3 1018.6790 1.1E4 1019.6814 2.4E3 1036.6898 5.9E4 1037.6929 1.6E4 END IONS BEGIN IONS FEATURE_ID=557 PEPMASS=1120.7584 SCANS=557 RTINSECONDS=2195.397 CHARGE=1+ MSLEVEL=2 85.0761 4.8E4 85.0776 2.9E3 85.0782 1.8E3 86.0839 3.6E3 86.0965 2.0E3 227.1754 1.0E3 328.1862 1.1E3 352.2469 1.3E3 360.2121 1.5E3 370.2581 1.0E3 423.2595 1.4E3 441.2702 8.6E3 459.2812 1.1E3 465.3314 3.0E3 483.3420 3.1E3 508.3495 1.5E3 526.3593 1.1E3 536.3438 1.8E3 554.3538 4.9E3 572.3640 2.4E3 578.4162 3.4E3 596.4263 9.0E3 659.4729 1.3E3 667.4385 5.2E3 677.4844 4.2E3 685.4485 6.3E4 686.4514 7.4E3 693.4424 1.5E3 695.4957 7.2E3 696.4961 1.2E3 709.5113 1.2E3 711.4526 2.8E3 792.5107 1.9E3 808.5773 2.2E3 810.5229 3.3E3 824.5374 1.5E3 877.5992 1.6E3 905.5967 4.7E3 923.6048 8.6E3 924.6091 1.2E3 937.6215 2.3E3 1008.6966 5.1E3 1009.6974 1.3E3 1018.6794 1.2E4 1019.6824 2.9E3 1036.6897 7.4E4 1037.6921 2.0E4 END IONS BEGIN IONS FEATURE_ID=558 PEPMASS=1120.7607 SCANS=558 RTINSECONDS=2224.531 CHARGE=1+ MSLEVEL=2 85.0764 4.8E4 86.0843 1.9E3 99.0918 2.2E3 360.2123 1.1E3 441.2702 5.6E3 465.3320 1.3E3 483.3425 2.9E3 501.3544 1.0E3 536.3441 1.5E3 554.3539 3.6E3 572.3648 1.5E3 578.4147 2.6E3 596.4261 7.4E3 597.4301 1.4E3 667.4382 4.9E3 677.4850 2.3E3 685.4486 4.8E4 686.4521 6.5E3 693.4423 1.1E3 695.4946 6.3E3 711.4521 3.1E3 792.5100 1.4E3 808.5787 2.1E3 810.5219 3.3E3 824.5400 1.0E3 877.6018 1.6E3 905.5949 4.3E3 919.6108 1.1E3 923.6050 7.5E3 924.6082 1.3E3 937.6211 1.5E3 991.6695 1.2E3 1008.6949 4.5E3 1018.6790 1.2E4 1019.6830 2.5E3 1022.6735 3.4E3 1036.6898 7.2E4 1037.6936 1.7E4 END IONS BEGIN IONS FEATURE_ID=559 PEPMASS=1120.7589 SCANS=559 RTINSECONDS=2231.279 CHARGE=1+ MSLEVEL=2 85.0764 2.0E4 227.1753 1.2E3 441.2704 3.4E3 465.3319 1.0E3 483.3419 1.5E3 554.3541 1.5E3 572.3641 1.2E3 578.4149 1.7E3 596.4266 3.7E3 667.4385 3.4E3 677.4828 2.0E3 685.4486 3.3E4 686.4517 4.1E3 695.4942 3.1E3 711.4526 1.8E3 792.5112 1.3E3 810.5201 1.6E3 905.5974 3.0E3 923.6058 5.2E3 937.6188 1.0E3 1008.6940 2.4E3 1018.6796 7.0E3 1019.6806 1.7E3 1022.6757 2.6E3 1036.6898 5.1E4 1037.6929 1.0E4 END IONS BEGIN IONS FEATURE_ID=560 PEPMASS=1120.7599 SCANS=560 RTINSECONDS=2252.538 CHARGE=1+ MSLEVEL=2 85.0765 2.1E4 99.0921 1.5E3 423.2606 1.3E3 441.2701 4.9E3 483.3427 1.8E3 536.3431 1.2E3 554.3531 2.8E3 572.3656 1.4E3 578.4151 2.5E3 596.4252 6.1E3 659.4720 1.1E3 667.4379 3.5E3 671.4349 1.7E3 677.4854 2.6E3 685.4486 4.3E4 686.4518 5.7E3 695.4946 6.4E3 699.4623 2.2E3 711.4533 1.9E3 792.5112 1.5E3 808.5797 2.0E3 810.5222 1.8E3 824.5395 1.1E3 877.6000 1.7E3 905.5953 4.3E3 923.6058 6.0E3 924.6085 1.2E3 1008.6955 4.5E3 1018.6790 1.0E4 1019.6827 1.8E3 1022.6710 3.4E3 1036.6897 7.3E4 1037.6927 1.7E4 1050.7062 1.6E3 END IONS BEGIN IONS FEATURE_ID=561 PEPMASS=1120.7601 SCANS=561 RTINSECONDS=2256.947 CHARGE=1+ MSLEVEL=2 85.0765 2.1E4 99.0921 1.5E3 423.2606 1.3E3 441.2701 4.9E3 483.3427 1.8E3 536.3431 1.2E3 554.3531 2.8E3 572.3656 1.4E3 578.4151 2.5E3 596.4252 6.1E3 659.4720 1.1E3 667.4379 3.5E3 671.4349 1.7E3 677.4854 2.6E3 685.4486 4.3E4 686.4518 5.7E3 695.4946 6.4E3 699.4623 2.2E3 711.4533 1.9E3 792.5112 1.5E3 808.5797 2.0E3 810.5222 1.8E3 824.5395 1.1E3 877.6000 1.7E3 905.5953 4.3E3 923.6058 6.0E3 924.6085 1.2E3 1008.6955 4.5E3 1018.6790 1.0E4 1019.6827 1.8E3 1022.6710 3.4E3 1036.6897 7.3E4 1037.6927 1.7E4 1050.7062 1.6E3 END IONS BEGIN IONS FEATURE_ID=562 PEPMASS=1120.7601 SCANS=562 RTINSECONDS=2271.59 CHARGE=1+ MSLEVEL=2 85.0765 2.1E4 99.0921 1.5E3 423.2606 1.3E3 441.2701 4.9E3 483.3427 1.8E3 536.3431 1.2E3 554.3531 2.8E3 572.3656 1.4E3 578.4151 2.5E3 596.4252 6.1E3 659.4720 1.1E3 667.4379 3.5E3 671.4349 1.7E3 677.4854 2.6E3 685.4486 4.3E4 686.4518 5.7E3 695.4946 6.4E3 699.4623 2.2E3 711.4533 1.9E3 792.5112 1.5E3 808.5797 2.0E3 810.5222 1.8E3 824.5395 1.1E3 877.6000 1.7E3 905.5953 4.3E3 923.6058 6.0E3 924.6085 1.2E3 1008.6955 4.5E3 1018.6790 1.0E4 1019.6827 1.8E3 1022.6710 3.4E3 1036.6897 7.3E4 1037.6927 1.7E4 1050.7062 1.6E3 END IONS BEGIN IONS FEATURE_ID=563 PEPMASS=1120.7605 SCANS=563 RTINSECONDS=2273.147 CHARGE=1+ MSLEVEL=2 85.0765 2.1E4 99.0921 1.5E3 423.2606 1.3E3 441.2701 4.9E3 483.3427 1.8E3 536.3431 1.2E3 554.3531 2.8E3 572.3656 1.4E3 578.4151 2.5E3 596.4252 6.1E3 659.4720 1.1E3 667.4379 3.5E3 671.4349 1.7E3 677.4854 2.6E3 685.4486 4.3E4 686.4518 5.7E3 695.4946 6.4E3 699.4623 2.2E3 711.4533 1.9E3 792.5112 1.5E3 808.5797 2.0E3 810.5222 1.8E3 824.5395 1.1E3 877.6000 1.7E3 905.5953 4.3E3 923.6058 6.0E3 924.6085 1.2E3 1008.6955 4.5E3 1018.6790 1.0E4 1019.6827 1.8E3 1022.6710 3.4E3 1036.6897 7.3E4 1037.6927 1.7E4 1050.7062 1.6E3 END IONS BEGIN IONS FEATURE_ID=564 PEPMASS=1120.7594 SCANS=564 RTINSECONDS=2275.854 CHARGE=1+ MSLEVEL=2 85.0765 2.1E4 99.0921 1.5E3 423.2606 1.3E3 441.2701 4.9E3 483.3427 1.8E3 536.3431 1.2E3 554.3531 2.8E3 572.3656 1.4E3 578.4151 2.5E3 596.4252 6.1E3 659.4720 1.1E3 667.4379 3.5E3 671.4349 1.7E3 677.4854 2.6E3 685.4486 4.3E4 686.4518 5.7E3 695.4946 6.4E3 699.4623 2.2E3 711.4533 1.9E3 792.5112 1.5E3 808.5797 2.0E3 810.5222 1.8E3 824.5395 1.1E3 877.6000 1.7E3 905.5953 4.3E3 923.6058 6.0E3 924.6085 1.2E3 1008.6955 4.5E3 1018.6790 1.0E4 1019.6827 1.8E3 1022.6710 3.4E3 1036.6897 7.3E4 1037.6927 1.7E4 1050.7062 1.6E3 END IONS BEGIN IONS FEATURE_ID=565 PEPMASS=1120.7601 SCANS=565 RTINSECONDS=2279.152 CHARGE=1+ MSLEVEL=2 85.0764 1.5E4 441.2703 1.5E3 554.3534 1.2E3 578.4155 1.5E3 596.4263 2.9E3 667.4377 1.9E3 677.4833 1.4E3 685.4489 1.5E4 686.4521 2.6E3 695.4927 2.2E3 792.5093 1.2E3 905.5928 1.8E3 923.6061 2.6E3 1008.6923 1.9E3 1018.6782 5.2E3 1019.6810 1.4E3 1022.6682 1.5E3 1036.6895 2.7E4 1037.6921 7.1E3 END IONS BEGIN IONS FEATURE_ID=566 PEPMASS=1120.7595 SCANS=566 RTINSECONDS=2282.546 CHARGE=1+ MSLEVEL=2 85.0764 1.5E4 441.2703 1.5E3 554.3534 1.2E3 578.4155 1.5E3 596.4263 2.9E3 667.4377 1.9E3 677.4833 1.4E3 685.4489 1.5E4 686.4521 2.6E3 695.4927 2.2E3 792.5093 1.2E3 905.5928 1.8E3 923.6061 2.6E3 1008.6923 1.9E3 1018.6782 5.2E3 1019.6810 1.4E3 1022.6682 1.5E3 1036.6895 2.7E4 1037.6921 7.1E3 END IONS BEGIN IONS FEATURE_ID=567 PEPMASS=1120.7601 SCANS=567 RTINSECONDS=2285.291 CHARGE=1+ MSLEVEL=2 85.0764 1.5E4 441.2703 1.5E3 554.3534 1.2E3 578.4155 1.5E3 596.4263 2.9E3 667.4377 1.9E3 677.4833 1.4E3 685.4489 1.5E4 686.4521 2.6E3 695.4927 2.2E3 792.5093 1.2E3 905.5928 1.8E3 923.6061 2.6E3 1008.6923 1.9E3 1018.6782 5.2E3 1019.6810 1.4E3 1022.6682 1.5E3 1036.6895 2.7E4 1037.6921 7.1E3 END IONS BEGIN IONS FEATURE_ID=568 PEPMASS=1120.7590 SCANS=568 RTINSECONDS=2288.223 CHARGE=1+ MSLEVEL=2 85.0764 1.5E4 441.2703 1.5E3 554.3534 1.2E3 578.4155 1.5E3 596.4263 2.9E3 667.4377 1.9E3 677.4833 1.4E3 685.4489 1.5E4 686.4521 2.6E3 695.4927 2.2E3 792.5093 1.2E3 905.5928 1.8E3 923.6061 2.6E3 1008.6923 1.9E3 1018.6782 5.2E3 1019.6810 1.4E3 1022.6682 1.5E3 1036.6895 2.7E4 1037.6921 7.1E3 END IONS BEGIN IONS FEATURE_ID=569 PEPMASS=1120.7598 SCANS=569 RTINSECONDS=2329.597 CHARGE=1+ MSLEVEL=2 85.0764 2.0E4 91.5080 1.2E3 441.2703 2.8E3 483.3417 1.9E3 554.3541 2.8E3 578.4152 1.2E3 596.4257 3.2E3 667.4375 2.0E3 677.4828 1.0E3 685.4484 2.1E4 686.4514 3.4E3 695.4937 3.0E3 905.5936 1.5E3 923.6053 4.2E3 924.6049 1.2E3 1008.6933 1.8E3 1018.6779 5.4E3 1019.6815 1.7E3 1036.6897 2.8E4 1037.6918 6.8E3 END IONS BEGIN IONS FEATURE_ID=570 PEPMASS=1121.7664 SCANS=570 RTINSECONDS=2146.153 CHARGE=1 MSLEVEL=2 82.0653 1.9E3 86.0964 1.4E3 97.0761 1.1E3 99.0916 2.5E4 100.0868 3.2E3 101.0709 6.9E3 101.1072 2.7E3 115.0751 1.0E3 117.0908 2.5E3 175.1323 1.4E3 227.1748 1.8E3 229.1178 1.4E3 245.1851 1.3E3 326.2434 1.5E3 328.1862 1.5E3 338.2317 1.4E3 342.2015 1.0E3 360.2121 1.8E3 423.2595 1.5E3 441.2705 1.1E4 442.2723 1.0E3 451.3162 2.6E3 455.2854 1.4E3 459.2800 2.0E3 469.3268 4.7E3 487.3373 1.3E3 508.3496 2.6E3 536.3451 2.4E3 546.3898 1.3E3 554.3538 6.9E3 564.4000 4.9E3 572.3641 2.6E3 582.4101 1.3E4 583.4139 1.5E3 586.3798 1.2E3 645.4576 1.3E3 649.4282 1.0E3 663.4684 5.3E3 667.4389 7.0E3 668.4412 1.1E3 679.4276 2.1E3 681.4793 1.2E4 682.4821 1.7E3 685.4487 8.8E4 686.4526 1.1E4 695.4932 1.2E3 697.4371 4.6E3 751.4868 1.3E3 778.4950 3.4E3 792.5117 1.3E3 794.5616 4.0E3 796.5067 4.2E3 810.5223 1.9E3 863.5835 3.8E3 873.5726 1.3E3 891.5790 7.6E3 905.5952 1.0E3 909.5896 1.4E4 910.5927 1.6E3 923.6069 3.1E3 976.6692 1.0E3 977.6530 1.1E3 986.6548 1.3E3 994.6794 7.0E3 995.6821 1.5E3 1004.6632 1.9E4 1005.6672 4.0E3 1022.6744 1.1E5 1023.6774 2.3E4 1024.6823 2.3E3 1036.6920 1.0E3 END IONS BEGIN IONS FEATURE_ID=571 PEPMASS=1121.7793 SCANS=571 RTINSECONDS=2144.149 CHARGE=1 MSLEVEL=2 82.0653 1.9E3 86.0964 1.4E3 97.0761 1.1E3 99.0916 2.5E4 100.0868 3.2E3 101.0709 6.9E3 101.1072 2.7E3 115.0751 1.0E3 117.0908 2.5E3 175.1323 1.4E3 227.1748 1.8E3 229.1178 1.4E3 245.1851 1.3E3 326.2434 1.5E3 328.1862 1.5E3 338.2317 1.4E3 342.2015 1.0E3 360.2121 1.8E3 423.2595 1.5E3 441.2705 1.1E4 442.2723 1.0E3 451.3162 2.6E3 455.2854 1.4E3 459.2800 2.0E3 469.3268 4.7E3 487.3373 1.3E3 508.3496 2.6E3 536.3451 2.4E3 546.3898 1.3E3 554.3538 6.9E3 564.4000 4.9E3 572.3641 2.6E3 582.4101 1.3E4 583.4139 1.5E3 586.3798 1.2E3 645.4576 1.3E3 649.4282 1.0E3 663.4684 5.3E3 667.4389 7.0E3 668.4412 1.1E3 679.4276 2.1E3 681.4793 1.2E4 682.4821 1.7E3 685.4487 8.8E4 686.4526 1.1E4 695.4932 1.2E3 697.4371 4.6E3 751.4868 1.3E3 778.4950 3.4E3 792.5117 1.3E3 794.5616 4.0E3 796.5067 4.2E3 810.5223 1.9E3 863.5835 3.8E3 873.5726 1.3E3 891.5790 7.6E3 905.5952 1.0E3 909.5896 1.4E4 910.5927 1.6E3 923.6069 3.1E3 976.6692 1.0E3 977.6530 1.1E3 986.6548 1.3E3 994.6794 7.0E3 995.6821 1.5E3 1004.6632 1.9E4 1005.6672 4.0E3 1022.6744 1.1E5 1023.6774 2.3E4 1024.6823 2.3E3 1036.6920 1.0E3 END IONS BEGIN IONS FEATURE_ID=572 PEPMASS=1121.7774 SCANS=572 RTINSECONDS=2148.326 CHARGE=1 MSLEVEL=2 82.0653 1.9E3 86.0964 1.4E3 97.0761 1.1E3 99.0916 2.5E4 100.0868 3.2E3 101.0709 6.9E3 101.1072 2.7E3 115.0751 1.0E3 117.0908 2.5E3 175.1323 1.4E3 227.1748 1.8E3 229.1178 1.4E3 245.1851 1.3E3 326.2434 1.5E3 328.1862 1.5E3 338.2317 1.4E3 342.2015 1.0E3 360.2121 1.8E3 423.2595 1.5E3 441.2705 1.1E4 442.2723 1.0E3 451.3162 2.6E3 455.2854 1.4E3 459.2800 2.0E3 469.3268 4.7E3 487.3373 1.3E3 508.3496 2.6E3 536.3451 2.4E3 546.3898 1.3E3 554.3538 6.9E3 564.4000 4.9E3 572.3641 2.6E3 582.4101 1.3E4 583.4139 1.5E3 586.3798 1.2E3 645.4576 1.3E3 649.4282 1.0E3 663.4684 5.3E3 667.4389 7.0E3 668.4412 1.1E3 679.4276 2.1E3 681.4793 1.2E4 682.4821 1.7E3 685.4487 8.8E4 686.4526 1.1E4 695.4932 1.2E3 697.4371 4.6E3 751.4868 1.3E3 778.4950 3.4E3 792.5117 1.3E3 794.5616 4.0E3 796.5067 4.2E3 810.5223 1.9E3 863.5835 3.8E3 873.5726 1.3E3 891.5790 7.6E3 905.5952 1.0E3 909.5896 1.4E4 910.5927 1.6E3 923.6069 3.1E3 976.6692 1.0E3 977.6530 1.1E3 986.6548 1.3E3 994.6794 7.0E3 995.6821 1.5E3 1004.6632 1.9E4 1005.6672 4.0E3 1022.6744 1.1E5 1023.6774 2.3E4 1024.6823 2.3E3 1036.6920 1.0E3 END IONS BEGIN IONS FEATURE_ID=573 PEPMASS=1122.7318 SCANS=573 RTINSECONDS=2115.958 CHARGE=1+ MSLEVEL=2 82.0654 1.3E3 86.0964 3.2E3 91.5061 1.7E3 99.0916 1.3E4 100.0869 7.0E3 100.0949 1.3E3 101.0709 3.3E4 101.1073 2.4E4 101.1094 1.1E3 114.1024 1.6E3 117.0911 2.7E3 175.1322 1.4E3 227.1752 3.2E3 229.1178 1.2E3 245.1854 1.8E3 326.2428 3.0E3 328.1856 3.0E3 338.2315 3.0E3 342.2018 1.9E3 356.2428 2.4E3 360.2123 3.8E3 395.2642 2.4E3 423.2597 3.8E3 441.2700 2.3E4 442.2740 3.3E3 451.3155 5.0E3 455.2850 2.4E3 459.2802 4.5E3 469.3266 8.2E3 470.3296 1.4E3 487.3370 3.1E3 508.3485 3.8E3 526.3588 3.0E3 536.3430 4.7E3 546.3890 2.5E3 554.3541 1.1E4 554.4166 1.4E3 555.3570 1.4E3 564.3997 8.4E3 565.4036 1.7E3 566.3431 1.3E3 572.3645 5.3E3 573.3666 1.3E3 582.4105 2.1E4 583.4131 4.5E3 584.3517 2.4E3 586.3799 2.1E3 645.4573 2.7E3 649.4277 2.2E3 651.4302 1.4E3 663.4685 8.9E3 664.4714 2.3E3 667.4375 1.6E4 668.4404 2.8E3 679.4257 2.3E3 681.4787 1.9E4 682.4818 4.0E3 685.4485 1.5E5 686.4513 3.7E4 687.4547 3.3E3 695.4928 2.9E3 697.4370 8.0E3 698.4418 1.5E3 751.4845 1.8E3 760.4867 1.3E3 778.4958 5.7E3 779.4989 1.3E3 792.5117 2.4E3 793.5114 1.2E3 794.5616 6.3E3 795.5649 1.9E3 796.5067 8.1E3 797.5093 1.4E3 808.5780 1.2E3 810.5215 3.0E3 863.5836 5.8E3 864.5772 1.7E3 873.5687 1.7E3 891.5793 1.2E4 892.5812 4.5E3 905.5963 1.7E3 907.6462 1.2E3 909.5894 2.2E4 910.5931 8.2E3 911.5958 1.2E3 923.6050 4.6E3 924.6078 1.6E3 976.6682 1.9E3 977.6544 1.8E3 986.6527 1.9E3 994.6787 1.3E4 995.6810 3.6E3 1004.6635 3.5E4 1005.6657 1.3E4 1006.6699 1.9E3 1008.6579 1.1E3 1022.6736 1.8E5 1023.6771 7.4E4 1024.6790 8.9E3 END IONS BEGIN IONS FEATURE_ID=574 PEPMASS=1122.7316 SCANS=574 RTINSECONDS=2142.14 CHARGE=1+ MSLEVEL=2 86.0967 2.3E3 87.0442 1.6E3 99.0916 8.0E3 100.0869 4.8E3 100.0952 1.2E3 101.0709 2.3E4 101.1072 1.0E4 115.0752 1.6E3 117.0908 4.6E3 133.0858 1.1E3 175.1324 2.2E3 177.1118 1.1E3 227.1756 2.7E3 229.1178 1.4E3 245.1848 2.1E3 326.2429 2.1E3 328.1859 2.8E3 338.2319 3.4E3 342.2014 1.6E3 356.2428 2.0E3 360.2125 2.3E3 395.2641 1.5E3 423.2600 3.2E3 441.2702 1.9E4 442.2738 2.7E3 451.3159 4.7E3 455.2852 1.7E3 459.2809 3.4E3 469.3264 6.4E3 473.2960 1.1E3 487.3373 1.6E3 508.3482 3.5E3 526.3593 2.8E3 536.3442 3.6E3 546.3893 3.0E3 554.3541 1.0E4 555.3575 1.1E3 564.4000 8.1E3 565.4028 1.1E3 568.3690 1.1E3 572.3641 4.6E3 582.4102 1.9E4 583.4133 4.3E3 584.3540 1.5E3 586.3804 2.1E3 639.4431 1.1E3 645.4575 1.5E3 651.4326 1.4E3 663.4680 6.5E3 664.4713 1.9E3 667.4379 1.1E4 668.4418 3.3E3 679.4268 2.4E3 681.4785 1.6E4 682.4823 4.3E3 685.4486 1.2E5 686.4518 3.1E4 687.4534 2.3E3 695.4953 1.9E3 697.4378 6.8E3 698.4402 1.5E3 751.4820 1.8E3 760.4847 1.1E3 764.5154 1.3E3 778.4955 4.9E3 792.5119 1.8E3 794.5616 5.1E3 795.5652 1.4E3 796.5062 6.6E3 797.5089 1.6E3 808.5792 1.0E3 810.5206 2.1E3 845.5738 1.1E3 863.5840 4.4E3 864.5697 1.4E3 873.5704 1.5E3 891.5789 9.2E3 892.5796 2.8E3 905.5933 1.1E3 909.5898 1.9E4 910.5938 6.0E3 923.6054 5.2E3 924.6082 1.5E3 976.6688 1.6E3 977.6528 1.8E3 986.6531 2.3E3 994.6790 1.2E4 995.6823 4.0E3 1004.6631 2.7E4 1005.6669 1.2E4 1006.6686 1.3E3 1022.6741 1.4E5 1023.6769 6.1E4 1024.6794 7.5E3 END IONS BEGIN IONS FEATURE_ID=575 PEPMASS=1123.7554 SCANS=575 RTINSECONDS=2159.352 CHARGE=1+ MSLEVEL=2 87.0921 7.3E3 89.0601 1.8E3 101.0713 3.7E3 103.0867 1.5E3 115.0755 1.7E3 117.0911 4.9E3 133.0856 2.1E3 175.1327 3.4E3 177.1120 1.4E3 190.1195 1.4E3 233.1744 1.4E3 342.2019 1.3E3 360.2123 1.2E3 441.2695 2.0E3 451.3163 1.4E3 455.2861 4.6E3 469.3275 2.4E3 564.3995 2.8E3 568.3694 1.7E3 582.4113 5.5E3 583.4137 1.5E3 667.4377 1.5E3 668.4409 1.0E3 677.4834 1.9E3 681.4530 1.9E3 681.4786 1.6E3 685.4485 1.4E4 686.4515 9.4E3 687.4535 1.7E3 695.4935 3.2E3 697.4361 1.6E3 699.4645 2.1E4 700.4676 3.6E3 792.5074 1.2E3 810.5233 2.2E3 877.5995 1.0E3 905.5936 2.1E3 910.5923 1.9E3 923.6044 4.5E3 924.6062 1.4E3 995.6843 1.1E3 1004.6617 1.9E3 1005.6680 2.4E3 1006.6687 1.0E3 1008.6943 2.6E3 1018.6801 3.8E3 1022.6740 1.2E4 1023.6776 2.0E4 1024.6787 3.9E3 1036.6896 2.9E4 1037.6930 7.0E3 1038.6941 1.0E3 END IONS BEGIN IONS FEATURE_ID=576 PEPMASS=1123.7587 SCANS=576 RTINSECONDS=2210.468 CHARGE=1+ MSLEVEL=2 85.0761 2.7E3 86.0965 1.1E3 87.0918 9.9E3 89.0599 1.0E3 91.5061 1.7E3 101.0708 1.6E3 117.0907 1.8E3 175.1323 1.3E3 227.1749 1.7E3 326.2428 1.2E3 328.1873 1.1E3 360.2115 1.2E3 370.2589 1.1E3 441.2702 9.2E3 459.2802 1.9E3 465.3317 1.9E3 483.3420 3.9E3 508.3491 1.6E3 536.3448 2.1E3 554.3536 4.6E3 572.3647 1.8E3 578.4155 3.3E3 582.4108 1.1E3 596.4261 8.9E3 597.4279 1.1E3 659.4742 1.2E3 667.4385 5.9E3 677.4845 2.8E3 685.4487 6.1E4 686.4514 1.2E4 687.4531 2.0E3 693.4422 1.2E3 695.4944 7.4E3 696.4990 1.1E3 711.4520 3.7E3 712.4561 1.0E3 792.5126 2.9E3 808.5780 2.2E3 810.5211 2.6E3 824.5365 1.8E3 877.6005 2.7E3 905.5957 5.0E3 923.6050 9.1E3 924.6099 2.5E3 937.6215 2.2E3 991.6695 1.0E3 1008.6948 5.0E3 1009.6991 1.1E3 1018.6790 1.3E4 1019.6833 4.0E3 1020.6850 1.3E3 1022.6727 2.9E3 1023.6772 4.9E3 1024.6768 1.6E3 1036.6896 7.5E4 1037.6936 2.1E4 1038.6967 4.3E3 1039.6962 2.4E3 END IONS BEGIN IONS FEATURE_ID=577 PEPMASS=1123.7589 SCANS=577 RTINSECONDS=2275.587 CHARGE=1+ MSLEVEL=2 85.0765 2.0E3 86.0968 1.7E3 87.0921 7.4E3 91.5062 1.2E3 227.1754 1.3E3 328.1858 1.0E3 360.2128 1.2E3 423.2603 1.2E3 441.2705 6.6E3 459.2817 1.2E3 465.3329 1.8E3 483.3424 2.3E3 508.3491 1.5E3 536.3444 1.8E3 554.3542 3.6E3 572.3656 1.4E3 578.4149 3.2E3 596.4258 7.2E3 597.4314 1.0E3 667.4379 5.8E3 677.4852 2.3E3 685.4485 4.5E4 686.4523 7.9E3 687.4551 1.8E3 695.4944 5.3E3 696.4973 1.4E3 699.4655 2.6E3 711.4524 2.7E3 792.5092 2.3E3 808.5784 1.8E3 810.5217 1.9E3 824.5381 1.4E3 877.5989 1.2E3 905.5943 4.0E3 923.6046 6.6E3 924.6090 1.9E3 937.6187 1.7E3 1008.6933 3.5E3 1018.6796 1.0E4 1019.6805 2.7E3 1022.6737 1.7E3 1023.6757 2.0E3 1036.6896 6.1E4 1037.6930 1.7E4 1038.6965 3.6E3 1039.6985 1.4E3 1050.7075 2.8E3 END IONS BEGIN IONS FEATURE_ID=578 PEPMASS=1123.8008 SCANS=578 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 87.0921 1.3E3 328.1864 1.0E3 360.2129 1.4E3 366.2636 1.3E3 441.2702 6.7E3 459.2814 1.0E3 479.3477 2.0E3 497.3575 2.5E3 508.3483 1.2E3 536.3441 1.6E3 554.3541 3.6E3 572.3652 1.0E3 592.4312 1.4E3 596.4259 1.5E3 610.4421 6.0E3 667.4390 5.6E3 668.4401 1.3E3 685.4486 4.9E4 686.4522 7.8E3 691.5001 2.2E3 709.5103 6.4E3 725.4681 1.9E3 806.5262 2.0E3 822.5928 2.0E3 824.5375 2.2E3 825.5406 1.0E3 891.6147 1.2E3 905.5943 1.5E3 919.6105 2.4E3 937.6213 6.9E3 938.6246 2.1E3 951.6354 1.2E3 1018.6801 3.0E3 1022.7115 3.6E3 1032.6943 7.3E3 1033.6932 1.8E3 1036.6895 1.1E4 1037.6941 2.1E3 1038.6946 1.0E3 1050.7052 4.0E4 1051.7090 1.1E4 END IONS BEGIN IONS FEATURE_ID=579 PEPMASS=1133.7543 SCANS=579 RTINSECONDS=2146.153 CHARGE=1+ MSLEVEL=2 95.0608 1.0E3 111.0919 1.2E5 112.0871 1.7E5 112.0950 5.6E3 113.0905 3.1E3 113.1076 2.9E3 441.2707 3.8E3 469.3271 1.7E3 536.3428 1.2E3 554.3545 1.9E3 564.3995 1.9E3 572.3641 1.1E3 582.4097 4.1E3 583.4139 1.2E3 663.4687 1.2E3 667.4391 2.7E3 681.4789 4.1E3 685.4484 3.0E4 686.4521 5.6E3 697.4373 2.0E3 796.5051 1.2E3 891.5781 2.4E3 909.5870 3.7E3 994.6796 2.2E3 1004.6627 8.4E3 1005.6675 2.9E3 1022.6739 3.4E4 1023.6765 1.1E4 1024.6798 1.7E3 END IONS BEGIN IONS FEATURE_ID=580 PEPMASS=1134.7753 SCANS=580 RTINSECONDS=2239.73 CHARGE=1+ MSLEVEL=2 82.0657 1.3E3 85.0764 1.3E4 91.5081 1.6E3 99.0919 4.4E3 111.0917 1.4E3 112.0871 6.5E3 455.2863 2.0E3 568.3684 1.3E3 596.4258 2.6E3 685.4486 5.9E3 686.4514 1.1E3 695.4935 1.0E3 699.4642 1.2E4 700.4666 1.9E3 709.5103 1.9E3 711.4525 1.0E3 923.6027 1.6E3 937.6208 2.6E3 1018.6756 1.3E3 1022.6707 1.5E3 1022.7155 1.1E3 1023.6709 1.6E3 1032.6956 2.2E3 1036.6887 7.9E3 1050.7050 1.7E4 1051.7079 4.5E3 END IONS BEGIN IONS FEATURE_ID=581 PEPMASS=1134.7748 SCANS=581 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 85.0764 3.5E4 86.0841 1.5E3 91.5080 1.7E3 441.2700 4.1E3 479.3476 1.1E3 497.3579 1.7E3 536.3439 1.3E3 554.3526 2.0E3 592.4308 1.2E3 610.4418 3.1E3 667.4383 3.2E3 685.4482 2.6E4 686.4515 3.5E3 691.5005 1.5E3 709.5112 2.7E3 725.4684 1.2E3 806.5248 1.5E3 822.5917 1.4E3 824.5359 1.2E3 919.6116 2.0E3 937.6212 4.4E3 951.6329 1.2E3 1018.6757 1.2E3 1022.7082 2.4E3 1032.6935 3.9E3 1036.6881 2.3E3 1050.7056 2.4E4 1051.7087 6.4E3 END IONS BEGIN IONS FEATURE_ID=582 PEPMASS=1135.7866 SCANS=582 RTINSECONDS=2311.838 CHARGE=1+ MSLEVEL=2 82.0655 1.5E3 85.0765 1.5E3 87.0921 1.0E3 99.0920 1.3E4 100.0872 1.5E3 101.0713 1.7E3 441.2703 6.1E3 465.3327 1.2E3 483.3420 2.0E3 501.3545 1.3E3 536.3439 1.9E3 554.3553 4.0E3 572.3654 1.2E3 578.4167 2.8E3 596.4260 7.6E3 597.4295 1.2E3 667.4381 5.8E3 677.4836 2.7E3 685.4484 4.9E4 686.4511 7.5E3 695.4943 7.8E3 696.4988 1.7E3 711.4532 1.7E3 792.5106 2.0E3 808.5803 1.3E3 810.5200 2.5E3 824.5349 1.1E3 877.6021 1.1E3 905.5959 3.1E3 923.6069 5.2E3 924.6105 2.4E3 937.6204 1.7E3 1008.6935 3.8E3 1018.6788 1.0E4 1019.6823 2.9E3 1036.6895 6.1E4 1037.6925 1.5E4 1038.6949 1.6E3 1050.7039 1.6E3 1051.7083 1.5E3 END IONS BEGIN IONS FEATURE_ID=583 PEPMASS=1135.7953 SCANS=583 RTINSECONDS=2323.362 CHARGE=1+ MSLEVEL=2 82.0655 1.5E3 85.0765 1.5E3 87.0921 1.0E3 99.0920 1.3E4 100.0872 1.5E3 101.0713 1.7E3 441.2703 6.1E3 465.3327 1.2E3 483.3420 2.0E3 501.3545 1.3E3 536.3439 1.9E3 554.3553 4.0E3 572.3654 1.2E3 578.4167 2.8E3 596.4260 7.6E3 597.4295 1.2E3 667.4381 5.8E3 677.4836 2.7E3 685.4484 4.9E4 686.4511 7.5E3 695.4943 7.8E3 696.4988 1.7E3 711.4532 1.7E3 792.5106 2.0E3 808.5803 1.3E3 810.5200 2.5E3 824.5349 1.1E3 877.6021 1.1E3 905.5959 3.1E3 923.6069 5.2E3 924.6105 2.4E3 937.6204 1.7E3 1008.6935 3.8E3 1018.6788 1.0E4 1019.6823 2.9E3 1036.6895 6.1E4 1037.6925 1.5E4 1038.6949 1.6E3 1050.7039 1.6E3 1051.7083 1.5E3 END IONS BEGIN IONS FEATURE_ID=584 PEPMASS=1135.7954 SCANS=584 RTINSECONDS=2336.812 CHARGE=1+ MSLEVEL=2 82.0655 1.5E3 85.0765 1.5E3 87.0921 1.0E3 99.0920 1.3E4 100.0872 1.5E3 101.0713 1.7E3 441.2703 6.1E3 465.3327 1.2E3 483.3420 2.0E3 501.3545 1.3E3 536.3439 1.9E3 554.3553 4.0E3 572.3654 1.2E3 578.4167 2.8E3 596.4260 7.6E3 597.4295 1.2E3 667.4381 5.8E3 677.4836 2.7E3 685.4484 4.9E4 686.4511 7.5E3 695.4943 7.8E3 696.4988 1.7E3 711.4532 1.7E3 792.5106 2.0E3 808.5803 1.3E3 810.5200 2.5E3 824.5349 1.1E3 877.6021 1.1E3 905.5959 3.1E3 923.6069 5.2E3 924.6105 2.4E3 937.6204 1.7E3 1008.6935 3.8E3 1018.6788 1.0E4 1019.6823 2.9E3 1036.6895 6.1E4 1037.6925 1.5E4 1038.6949 1.6E3 1050.7039 1.6E3 1051.7083 1.5E3 END IONS BEGIN IONS FEATURE_ID=585 PEPMASS=1135.7964 SCANS=585 RTINSECONDS=2338.855 CHARGE=1+ MSLEVEL=2 82.0655 1.5E3 85.0765 1.5E3 87.0921 1.0E3 99.0920 1.3E4 100.0872 1.5E3 101.0713 1.7E3 441.2703 6.1E3 465.3327 1.2E3 483.3420 2.0E3 501.3545 1.3E3 536.3439 1.9E3 554.3553 4.0E3 572.3654 1.2E3 578.4167 2.8E3 596.4260 7.6E3 597.4295 1.2E3 667.4381 5.8E3 677.4836 2.7E3 685.4484 4.9E4 686.4511 7.5E3 695.4943 7.8E3 696.4988 1.7E3 711.4532 1.7E3 792.5106 2.0E3 808.5803 1.3E3 810.5200 2.5E3 824.5349 1.1E3 877.6021 1.1E3 905.5959 3.1E3 923.6069 5.2E3 924.6105 2.4E3 937.6204 1.7E3 1008.6935 3.8E3 1018.6788 1.0E4 1019.6823 2.9E3 1036.6895 6.1E4 1037.6925 1.5E4 1038.6949 1.6E3 1050.7039 1.6E3 1051.7083 1.5E3 END IONS BEGIN IONS FEATURE_ID=586 PEPMASS=1136.7463 SCANS=586 RTINSECONDS=2208.447 CHARGE=1+ MSLEVEL=2 86.0965 1.6E3 99.0916 7.1E3 100.0870 1.8E3 101.0709 1.2E4 101.1076 4.8E3 112.0869 1.3E3 114.1025 1.4E3 227.1750 1.4E3 326.2431 2.0E3 328.1862 1.5E3 342.2020 1.9E3 352.2473 2.9E3 360.2124 1.8E3 370.2582 1.4E3 423.2592 1.4E3 441.2701 1.2E4 442.2733 1.8E3 455.2852 1.4E3 459.2804 1.9E3 465.3313 3.0E3 483.3425 4.6E3 501.3521 1.2E3 508.3502 1.4E3 526.3593 1.4E3 536.3439 2.5E3 554.3536 7.0E3 555.3574 1.3E3 560.4056 1.6E3 568.3699 1.3E3 572.3642 2.8E3 578.4155 5.8E3 586.3805 1.3E3 596.4261 1.3E4 597.4291 2.8E3 639.4444 1.5E3 659.4731 1.1E3 667.4378 8.9E3 668.4419 2.2E3 677.4838 4.6E3 678.4872 1.3E3 685.4486 8.6E4 686.4517 2.1E4 687.4536 1.9E3 693.4417 2.0E3 695.4943 1.1E4 696.4971 2.7E3 699.4644 2.2E3 711.4530 3.6E3 778.5327 1.1E3 792.5132 3.8E3 808.5790 3.6E3 810.5214 4.5E3 811.5259 1.4E3 824.5370 1.2E3 877.6005 3.0E3 905.5952 7.1E3 906.6002 2.9E3 923.6055 1.3E4 924.6082 4.8E3 937.6222 3.5E3 938.6241 1.4E3 991.6706 1.4E3 1000.6700 1.2E3 1008.6940 8.3E3 1009.6996 3.1E3 1018.6787 1.8E4 1019.6823 9.2E3 1036.6895 1.0E5 1037.6926 4.8E4 1038.6953 6.4E3 END IONS BEGIN IONS FEATURE_ID=587 PEPMASS=1137.7734 SCANS=587 RTINSECONDS=2238.863 CHARGE=1+ MSLEVEL=2 85.0764 1.0E3 86.0968 1.3E3 87.0920 8.0E3 101.0712 3.6E3 101.1074 1.1E3 117.0911 1.0E3 342.2015 1.6E3 352.2480 1.5E3 441.2701 2.9E3 455.2851 4.5E3 465.3315 1.6E3 483.3418 2.7E3 554.3539 1.4E3 568.3698 2.6E3 578.4149 2.6E3 586.3813 1.6E3 596.4259 7.2E3 597.4299 2.5E3 667.4377 1.4E3 681.4539 2.2E3 685.4484 1.5E4 686.4523 8.5E3 687.4550 2.2E3 691.4997 1.7E3 693.4411 1.1E3 695.4933 1.7E3 696.4966 1.5E3 699.4643 2.6E4 700.4665 5.2E3 701.4675 1.0E3 709.5095 3.8E3 710.5107 1.2E3 711.4532 2.1E3 806.5256 2.2E3 822.5923 1.3E3 824.5372 2.7E3 891.6124 1.4E3 905.5942 1.5E3 906.5955 1.2E3 919.6097 3.1E3 923.6050 1.8E3 924.6066 2.0E3 937.6212 6.4E3 938.6227 1.7E3 1008.6913 1.1E3 1009.6952 1.3E3 1018.6799 2.6E3 1019.6808 3.0E3 1022.7128 2.2E3 1032.6946 6.1E3 1033.6963 1.4E3 1036.6892 1.4E4 1037.6932 1.9E4 1038.6948 5.5E3 1050.7053 2.9E4 1051.7083 9.6E3 1052.7096 1.5E3 END IONS BEGIN IONS FEATURE_ID=588 PEPMASS=1137.7748 SCANS=588 RTINSECONDS=2252.271 CHARGE=1+ MSLEVEL=2 85.0765 1.6E3 87.0921 1.4E4 117.0912 1.0E3 243.1343 1.7E3 342.2023 1.3E3 352.2483 1.2E3 356.2181 1.1E3 374.2290 1.4E3 427.2921 1.2E3 455.2857 4.2E3 465.3316 2.2E3 469.3025 1.1E3 473.2969 2.0E3 483.3419 3.3E3 540.3762 1.4E3 560.4053 1.2E3 568.3705 3.6E3 578.4162 4.3E3 586.3807 2.3E3 596.4261 7.4E3 597.4301 1.3E3 659.4749 1.3E3 667.4396 1.3E3 677.4847 4.5E3 681.4540 2.2E3 685.4489 3.2E3 686.4509 2.7E3 695.4944 1.0E4 696.4985 1.2E3 699.4642 5.6E4 700.4674 9.0E3 709.5105 1.1E3 725.4687 3.0E3 806.5274 2.2E3 824.5367 8.1E3 825.5396 1.7E3 838.5543 1.2E3 919.6125 2.2E3 937.6205 9.3E3 938.6259 2.6E3 951.6374 1.3E3 1005.6854 1.5E3 1018.6784 3.8E3 1019.6834 1.1E3 1022.7121 5.1E3 1023.7150 1.7E3 1032.6946 8.8E3 1033.6962 2.0E3 1036.6870 2.3E3 1037.6940 4.7E3 1038.6938 1.6E3 1050.7054 6.5E4 1051.7085 1.8E4 1052.7115 1.4E3 END IONS BEGIN IONS FEATURE_ID=589 PEPMASS=1137.7744 SCANS=589 RTINSECONDS=2260.401 CHARGE=1+ MSLEVEL=2 85.0765 1.6E3 87.0921 1.4E4 117.0912 1.0E3 243.1343 1.7E3 342.2023 1.3E3 352.2483 1.2E3 356.2181 1.1E3 374.2290 1.4E3 427.2921 1.2E3 455.2857 4.2E3 465.3316 2.2E3 469.3025 1.1E3 473.2969 2.0E3 483.3419 3.3E3 540.3762 1.4E3 560.4053 1.2E3 568.3705 3.6E3 578.4162 4.3E3 586.3807 2.3E3 596.4261 7.4E3 597.4301 1.3E3 659.4749 1.3E3 667.4396 1.3E3 677.4847 4.5E3 681.4540 2.2E3 685.4489 3.2E3 686.4509 2.7E3 695.4944 1.0E4 696.4985 1.2E3 699.4642 5.6E4 700.4674 9.0E3 709.5105 1.1E3 725.4687 3.0E3 806.5274 2.2E3 824.5367 8.1E3 825.5396 1.7E3 838.5543 1.2E3 919.6125 2.2E3 937.6205 9.3E3 938.6259 2.6E3 951.6374 1.3E3 1005.6854 1.5E3 1018.6784 3.8E3 1019.6834 1.1E3 1022.7121 5.1E3 1023.7150 1.7E3 1032.6946 8.8E3 1033.6962 2.0E3 1036.6870 2.3E3 1037.6940 4.7E3 1038.6938 1.6E3 1050.7054 6.5E4 1051.7085 1.8E4 1052.7115 1.4E3 END IONS BEGIN IONS FEATURE_ID=590 PEPMASS=1137.7744 SCANS=590 RTINSECONDS=2355.799 CHARGE=1+ MSLEVEL=2 86.0970 1.0E3 87.0921 4.9E3 441.2699 5.4E3 455.2858 1.1E3 479.3467 1.6E3 497.3574 2.0E3 536.3436 1.1E3 554.3547 2.1E3 568.3693 1.6E3 586.3814 1.0E3 592.4302 1.7E3 596.4254 1.7E3 610.4407 4.9E3 667.4387 3.5E3 685.4485 3.5E4 686.4517 8.1E3 691.5004 2.5E3 699.4650 7.7E3 709.5100 4.0E3 723.5242 1.3E3 725.4677 2.0E3 806.5238 1.6E3 822.5917 1.5E3 824.5360 1.4E3 838.5527 1.1E3 919.6105 2.7E3 937.6210 6.2E3 938.6216 1.6E3 951.6345 1.6E3 1022.7118 2.7E3 1032.6943 9.1E3 1033.6975 2.1E3 1036.6876 1.7E3 1037.6924 4.5E3 1038.6986 2.5E3 1050.7053 5.2E4 1051.7086 1.1E4 1052.7092 1.3E3 1064.7217 2.3E3 END IONS BEGIN IONS FEATURE_ID=591 PEPMASS=1138.7345 SCANS=591 RTINSECONDS=2035.887 CHARGE=1+ MSLEVEL=2 85.0764 2.4E5 86.0798 1.9E3 86.0968 1.9E3 111.0918 1.6E3 113.0710 1.1E3 117.0913 3.0E3 128.0819 1.0E3 128.1182 1.0E4 129.1024 1.9E3 129.1217 1.8E3 129.1385 1.4E3 130.0975 1.3E4 130.1337 3.8E3 131.0814 9.7E4 133.0858 1.0E3 175.1328 2.0E3 227.1752 1.8E3 326.2435 1.0E3 328.1863 1.0E3 360.2134 1.0E3 437.3007 1.7E3 441.2700 8.8E3 455.3104 2.3E3 459.2809 1.6E3 508.3487 1.4E3 526.3586 1.7E3 536.3442 2.0E3 550.3843 2.8E3 554.3538 4.7E3 568.3949 7.7E3 569.3983 2.0E3 572.3656 1.5E3 577.5176 1.3E3 649.4524 1.9E3 667.4376 4.3E3 667.4636 6.5E3 668.4683 1.1E3 683.4213 2.4E3 685.4484 5.7E4 686.4518 9.5E3 687.4552 2.0E3 764.4802 1.9E3 780.5479 2.0E3 782.4911 2.8E3 849.5677 2.1E3 877.5635 4.2E3 895.5739 8.4E3 896.5788 1.1E3 909.5908 1.4E3 972.6384 1.4E3 980.6628 3.8E3 981.6670 1.1E3 990.6481 1.4E4 991.6484 3.3E3 1008.6580 7.4E4 1009.6609 2.4E4 1010.6631 4.8E3 1011.6672 1.2E3 1138.6836 3.5E3 END IONS BEGIN IONS FEATURE_ID=592 PEPMASS=1138.7332 SCANS=592 RTINSECONDS=2060.209 CHARGE=1+ MSLEVEL=2 85.0764 1.2E5 86.0796 1.3E3 89.0601 1.4E3 111.0918 1.1E3 115.0755 2.0E3 117.0912 7.3E3 128.1185 5.2E3 130.0974 8.1E3 130.1338 5.0E3 131.0815 4.3E4 132.0850 1.0E3 133.0859 1.8E3 175.1327 3.4E3 233.1743 2.1E3 441.2704 3.4E3 455.3114 1.3E3 554.3535 1.7E3 568.3945 3.7E3 649.4528 1.4E3 667.4409 2.2E3 667.4626 2.6E3 683.4214 1.0E3 685.4485 2.6E4 686.4520 4.4E3 764.4786 1.3E3 782.4892 1.9E3 877.5641 2.3E3 895.5732 4.4E3 896.5764 1.0E3 980.6613 1.9E3 981.6684 1.0E3 990.6467 5.4E3 991.6499 2.0E3 1008.6583 3.9E4 1009.6620 9.4E3 1010.6646 2.6E3 1063.5775 1.0E3 END IONS BEGIN IONS FEATURE_ID=593 PEPMASS=1147.7706 SCANS=593 RTINSECONDS=2146.153 CHARGE=1 MSLEVEL=2 85.0764 3.0E3 109.0761 2.8E3 124.0870 4.3E3 125.0822 1.0E3 125.1074 1.5E4 126.1026 1.7E5 127.1060 2.2E3 441.2703 6.4E3 451.3153 1.5E3 469.3259 2.4E3 536.3442 1.1E3 554.3536 3.3E3 564.3992 2.2E3 572.3643 1.1E3 582.4099 5.9E3 663.4680 2.0E3 667.4372 3.9E3 681.4795 5.6E3 682.4808 1.1E3 685.4486 4.1E4 686.4526 7.6E3 687.4554 1.0E3 697.4380 2.2E3 778.4944 2.0E3 794.5628 1.7E3 796.5041 2.0E3 863.5841 1.7E3 891.5792 3.8E3 892.5801 1.4E3 909.5904 6.3E3 923.6041 1.5E3 994.6794 3.2E3 1004.6634 1.0E4 1005.6660 3.1E3 1022.6740 5.3E4 1023.6775 1.3E4 1024.6790 1.9E3 END IONS BEGIN IONS FEATURE_ID=594 PEPMASS=1147.7708 SCANS=594 RTINSECONDS=2184.343 CHARGE=1+ MSLEVEL=2 110.0714 1.4E3 111.0919 1.1E5 112.0871 1.7E5 112.0949 5.4E3 113.0903 2.0E3 113.1073 1.6E3 441.2701 3.5E3 483.3422 1.4E3 554.3544 2.4E3 578.4141 1.1E3 596.4258 3.7E3 667.4383 2.0E3 685.4483 2.5E4 686.4515 5.7E3 695.4929 3.1E3 711.4543 1.3E3 792.5107 1.4E3 810.5205 1.4E3 877.6000 1.3E3 905.5934 2.1E3 923.6052 4.2E3 924.6080 1.1E3 937.6204 1.4E3 1008.6937 1.7E3 1018.6800 4.8E3 1019.6815 2.0E3 1036.6898 3.0E4 1037.6926 1.0E4 1038.6949 1.6E3 END IONS BEGIN IONS FEATURE_ID=595 PEPMASS=1147.7712 SCANS=595 RTINSECONDS=2195.397 CHARGE=1+ MSLEVEL=2 110.0714 1.4E3 111.0919 1.1E5 112.0871 1.7E5 112.0949 5.4E3 113.0903 2.0E3 113.1073 1.6E3 441.2701 3.5E3 483.3422 1.4E3 554.3544 2.4E3 578.4141 1.1E3 596.4258 3.7E3 667.4383 2.0E3 685.4483 2.5E4 686.4515 5.7E3 695.4929 3.1E3 711.4543 1.3E3 792.5107 1.4E3 810.5205 1.4E3 877.6000 1.3E3 905.5934 2.1E3 923.6052 4.2E3 924.6080 1.1E3 937.6204 1.4E3 1008.6937 1.7E3 1018.6800 4.8E3 1019.6815 2.0E3 1036.6898 3.0E4 1037.6926 1.0E4 1038.6949 1.6E3 END IONS BEGIN IONS FEATURE_ID=596 PEPMASS=1149.7855 SCANS=596 RTINSECONDS=2115.958 CHARGE=1+ MSLEVEL=2 85.0764 5.6E4 109.0764 1.4E3 111.0919 3.2E4 125.1074 2.0E3 126.1026 6.2E4 127.0866 2.5E3 127.0978 2.0E3 127.1061 7.6E3 127.1230 3.8E3 128.0818 7.7E3 128.1182 2.2E5 128.1433 1.1E3 129.1021 2.3E3 129.1215 2.7E3 441.2704 5.2E3 442.2729 1.4E3 451.3156 1.3E3 469.3264 1.9E3 487.3371 1.1E3 554.3537 2.7E3 564.3998 1.8E3 572.3645 1.1E3 582.4099 4.1E3 583.4145 1.9E3 663.4680 1.7E3 664.4714 1.1E3 667.4369 3.3E3 668.4406 1.4E3 669.4437 1.0E3 681.4796 4.3E3 682.4813 1.8E3 685.4485 3.3E4 686.4523 1.2E4 687.4540 2.8E3 697.4371 2.2E3 778.4927 1.4E3 794.5621 1.0E3 796.5041 1.6E3 863.5842 1.1E3 891.5792 3.1E3 892.5816 1.4E3 909.5900 4.2E3 910.5945 2.7E3 911.5942 1.1E3 923.6049 1.1E3 994.6803 2.5E3 1004.6629 5.8E3 1005.6676 4.6E3 1006.6672 1.9E3 1022.6739 3.7E4 1023.6772 2.6E4 1024.6799 1.2E4 END IONS BEGIN IONS FEATURE_ID=597 PEPMASS=1149.7855 SCANS=597 RTINSECONDS=2146.153 CHARGE=1+ MSLEVEL=2 85.0764 3.6E4 91.5081 1.6E3 109.0763 1.3E3 111.0919 2.4E4 125.1072 1.4E3 126.1026 4.5E4 127.0866 1.3E3 127.0977 2.4E3 127.1059 6.8E3 127.1230 3.0E3 128.0817 7.4E3 128.1182 1.5E5 129.1022 2.1E3 129.1216 2.3E3 441.2703 3.6E3 469.3275 1.4E3 554.3537 1.7E3 564.4001 1.2E3 582.4107 3.5E3 583.4144 1.0E3 663.4669 1.3E3 667.4385 1.7E3 668.4417 1.1E3 681.4796 2.5E3 682.4817 1.3E3 685.4485 2.2E4 686.4514 1.0E4 687.4541 3.0E3 697.4376 1.1E3 891.5783 1.7E3 909.5897 3.7E3 910.5934 2.5E3 994.6770 1.6E3 995.6761 1.0E3 1004.6620 4.4E3 1005.6671 3.0E3 1006.6694 1.3E3 1022.6738 2.6E4 1023.6772 1.6E4 1024.6803 7.7E3 END IONS BEGIN IONS FEATURE_ID=598 PEPMASS=1149.8129 SCANS=598 RTINSECONDS=2260.401 CHARGE=1+ MSLEVEL=2 82.0656 1.0E3 99.0920 8.0E3 100.0875 1.4E3 111.0919 1.4E3 112.0872 2.5E3 114.1028 1.4E3 126.1027 1.7E3 128.1183 2.5E3 243.1339 1.3E3 352.2476 1.0E3 374.2289 1.8E3 455.2858 3.1E3 465.3331 1.9E3 473.2977 1.7E3 483.3423 2.6E3 540.3740 1.1E3 560.4066 1.3E3 568.3713 4.1E3 578.4165 2.8E3 586.3820 1.9E3 596.4257 6.8E3 671.4324 3.0E3 677.4846 3.8E3 681.4543 1.6E3 685.4503 1.9E3 695.4952 7.0E3 699.4644 4.7E4 700.4675 5.1E3 709.5110 1.3E3 725.4698 1.8E3 806.5265 1.8E3 824.5375 5.6E3 919.6111 2.5E3 937.6214 8.0E3 951.6390 1.0E3 1018.6770 3.0E3 1022.6717 2.4E3 1022.7193 4.0E3 1023.6735 2.1E3 1032.6953 7.5E3 1033.6995 1.3E3 1036.6896 1.7E3 1037.6931 1.4E3 1050.7059 6.2E4 1051.7084 1.2E4 1052.7125 1.4E3 END IONS BEGIN IONS FEATURE_ID=599 PEPMASS=1149.8115 SCANS=599 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 82.0656 1.6E3 99.0920 6.7E3 111.0917 1.3E3 112.0872 3.4E3 114.1027 1.3E3 227.1753 1.3E3 366.2631 1.3E3 384.2746 1.3E3 423.2603 1.0E3 441.2706 6.2E3 479.3474 1.2E3 497.3582 3.1E3 508.3481 1.2E3 536.3427 1.4E3 554.3543 3.2E3 572.3645 1.7E3 592.4311 1.7E3 610.4423 7.3E3 667.4388 5.6E3 668.4415 1.3E3 685.4488 5.3E4 686.4519 7.4E3 691.4977 1.2E3 709.5103 8.3E3 725.4697 2.4E3 806.5242 1.4E3 822.5934 1.8E3 824.5378 3.5E3 891.6153 1.7E3 892.6022 1.0E3 919.6116 2.8E3 937.6216 7.7E3 938.6225 1.7E3 951.6380 2.1E3 1018.6798 2.4E3 1022.7101 4.5E3 1032.6942 8.2E3 1033.6958 1.4E3 1036.6859 1.8E3 1037.6897 1.9E3 1050.7053 5.1E4 1051.7081 1.1E4 END IONS BEGIN IONS FEATURE_ID=600 PEPMASS=1149.8696 SCANS=600 RTINSECONDS=1402.834 CHARGE=3+ MSLEVEL=2 203.0812 1.3E3 206.1285 1.5E3 211.1441 3.8E3 212.1027 1.7E3 213.0868 2.0E4 214.0903 2.4E3 218.1134 2.7E3 224.1027 1.3E3 230.1133 3.8E3 240.1705 5.4E3 242.1493 1.8E3 247.1076 1.1E3 252.0976 1.9E3 252.1338 8.1E3 253.1369 1.1E3 268.1652 1.0E4 270.1079 6.6E3 270.1447 3.1E3 274.1180 1.6E3 275.1020 1.2E4 276.1059 1.8E3 284.1236 1.1E3 288.1372 1.3E3 299.1393 1.0E3 303.1118 1.4E3 316.1650 5.0E3 328.1868 1.4E3 331.1971 3.2E3 337.1862 4.9E3 338.1901 1.0E3 345.1558 1.4E3 352.1973 1.4E3 355.1970 1.5E4 356.2010 3.2E3 358.1396 4.5E3 359.1427 1.0E3 360.1916 1.3E3 365.1812 2.9E3 370.2083 1.9E3 380.1928 1.7E3 383.1921 1.4E4 384.1950 2.9E3 387.2049 1.1E3 388.1863 2.3E4 388.1997 1.2E3 389.1900 4.5E3 398.2030 2.0E3 403.1609 1.0E3 414.2025 1.1E3 416.1958 2.6E3 423.2233 9.1E3 424.2266 1.6E3 431.1959 1.6E3 436.2548 2.9E3 441.2132 1.6E3 451.2298 3.5E3 454.2654 3.0E3 459.2235 2.3E4 460.2263 5.0E3 461.2295 1.3E3 469.1719 1.2E3 469.2401 2.2E3 470.2432 1.1E3 474.1984 2.0E3 474.2498 2.0E3 480.2451 1.8E4 481.2485 4.0E3 482.2617 4.5E3 485.2392 2.7E3 487.1821 3.9E3 498.2351 1.3E3 502.2477 3.4E3 503.2289 1.2E3 503.2486 2.0E3 506.2404 2.9E3 515.2648 3.6E3 516.2451 2.2E4 516.2669 1.3E3 517.2482 5.7E3 518.2505 1.2E3 542.2609 1.7E3 545.2505 1.0E3 559.2667 1.4E3 559.2877 1.2E3 560.2712 1.1E3 569.2717 2.7E3 570.2753 1.1E3 573.2717 1.0E3 587.2821 2.7E4 588.2858 1.0E4 589.2882 1.9E3 595.2720 1.8E4 595.3441 2.2E3 596.2756 5.8E3 597.2780 1.5E3 600.2653 4.0E3 601.2709 1.6E3 605.2929 1.0E4 606.2968 3.7E3 630.2914 6.4E3 631.2947 2.0E3 659.2939 1.9E3 660.2976 1.0E3 670.3594 2.0E3 671.3033 5.6E3 672.3063 3.3E3 673.3092 3.1E3 674.3145 1.0E3 677.3055 1.2E3 686.3126 1.3E3 687.3123 3.5E3 688.3183 1.0E3 689.4353 1.0E3 694.3411 5.3E3 695.3451 2.6E3 698.3549 3.8E3 699.3586 1.3E3 723.3865 1.2E3 723.8182 1.0E3 725.3265 2.6E3 726.3271 1.3E3 728.3255 3.0E3 729.3306 1.0E3 741.3959 1.6E3 743.3376 3.1E3 744.3401 1.5E3 751.3817 1.1E3 761.8337 1.6E3 769.3907 3.0E3 770.3362 1.0E3 781.3538 1.2E3 795.3500 1.1E3 796.8540 1.4E3 799.3621 6.3E3 800.3654 3.1E3 804.3619 1.3E3 804.8605 1.2E3 807.4246 2.5E3 808.4285 1.6E3 817.3720 1.5E4 818.3742 5.8E3 819.3809 1.6E3 820.3972 1.1E3 829.3978 3.4E3 830.4094 1.2E3 832.8721 1.4E3 838.4099 8.2E3 839.4169 3.7E3 839.8816 1.8E3 840.3820 1.2E3 840.4253 2.6E3 841.3779 1.8E3 841.8806 1.6E3 843.4145 1.0E4 844.4184 8.9E3 845.4199 2.7E3 847.4104 8.1E3 848.4135 3.6E3 851.4453 1.2E3 856.4208 5.9E3 857.4244 3.2E3 867.4252 1.9E3 869.3674 1.4E3 869.4572 3.4E3 879.4388 2.4E3 880.4423 1.1E3 883.8763 1.9E3 884.3742 2.3E3 891.3864 1.7E3 891.8857 1.3E3 892.8843 2.0E3 897.4509 7.5E3 898.4555 3.1E3 901.4406 1.1E3 904.4301 1.1E3 910.4327 3.0E3 911.4377 2.1E3 931.4205 1.0E3 933.4211 1.1E3 938.4645 1.6E3 940.4193 1.7E3 940.9214 2.0E3 947.9269 1.4E3 948.4299 1.5E3 949.4267 1.9E3 949.9255 1.6E3 981.4722 3.1E3 982.4747 1.3E3 983.4628 1.4E3 989.4322 1.0E3 989.9507 1.3E3 990.4555 1.7E3 990.9593 1.0E3 998.9603 2.6E3 999.4590 1.9E3 999.9614 1.7E3 1003.4403 2.1E3 1004.4490 1.1E3 1007.4406 1.7E3 1022.4938 1.1E3 1040.5117 2.2E3 1050.4917 2.6E3 1051.4928 2.7E3 1052.5043 2.2E3 1053.4918 1.4E3 1057.4672 1.0E3 1060.4633 2.0E3 1061.4652 1.5E3 1066.5254 2.6E3 1067.5256 1.6E3 1068.4987 4.4E3 1069.5052 2.8E3 1070.5077 1.2E3 1074.4812 3.7E3 1075.4869 3.1E3 1075.9844 2.0E3 1076.4884 2.1E3 1078.4761 2.6E3 1079.4818 1.4E3 1084.5316 1.7E3 1085.5419 2.1E3 1091.5240 1.1E3 1109.5298 1.0E4 1110.5337 6.6E3 1111.5327 2.0E3 1112.5416 1.1E3 1116.0023 1.1E3 1125.5144 1.4E3 1133.5217 1.2E3 1150.5012 1.2E3 1151.5106 1.5E3 1161.5193 2.3E3 1162.5190 2.1E3 1175.5321 2.3E3 1176.5314 2.5E3 1177.5282 1.4E3 1178.5372 1.1E3 1179.5309 1.9E3 1180.5319 2.0E3 1181.0439 1.0E3 1181.5471 3.0E3 1182.5483 2.0E3 1199.5654 2.6E3 1200.5734 2.0E3 1247.4994 1.1E3 1260.5280 1.2E3 1261.5254 1.0E3 1264.5237 2.7E3 1265.5227 2.4E3 1266.5273 1.1E3 1279.5325 1.3E3 1310.6447 1.2E3 1333.5400 1.0E3 1433.6656 1.4E3 1446.6300 2.5E3 1447.6350 2.7E3 1451.6814 1.1E3 1458.6625 1.1E3 1460.6478 2.3E3 1461.6450 4.1E3 1462.6449 3.0E3 1464.6385 5.0E3 1465.6403 2.8E3 1466.6451 1.7E3 1474.6636 1.4E3 1475.6664 1.5E3 1482.6510 1.9E3 1483.6520 1.4E3 1491.6760 1.5E3 1492.6715 1.4E3 1493.6801 1.4E3 1496.7096 1.4E3 1497.7080 1.7E3 1504.1848 1.3E3 1504.6874 1.6E3 1514.7102 1.7E3 1532.6952 1.4E3 1584.7292 1.3E3 1590.7058 1.4E3 1592.6971 1.5E3 1593.6985 1.9E3 1606.6962 2.2E3 1607.7117 2.5E3 1608.7133 2.3E3 1609.7207 1.9E3 1610.7146 3.1E3 1611.7075 2.2E3 1618.7208 1.3E3 1663.7347 2.8E3 1664.7302 2.7E3 1665.7267 1.3E3 1677.7482 1.3E3 1678.7542 1.7E3 1679.7513 1.5E3 1681.7385 2.9E3 1683.7499 1.4E3 1695.8014 1.2E3 1696.8035 1.2E3 1713.8097 1.2E3 1733.7749 1.4E3 1744.7637 1.8E3 1745.7714 1.8E3 1781.7698 1.3E3 1785.7520 1.2E3 1858.8375 1.0E3 1862.8356 1.5E3 1873.8671 1.0E3 1874.8616 1.8E3 1875.8560 1.4E3 1879.8322 1.2E3 1880.8311 2.0E3 1881.8373 1.2E3 1894.8428 1.6E3 1897.8521 1.4E3 1978.8960 2.2E3 1979.8896 1.8E3 1980.8898 1.2E3 1993.9141 1.3E3 1994.9155 1.5E3 1995.9167 1.2E3 1996.9125 3.0E3 1997.9036 2.8E3 1998.9155 1.2E3 2086.9446 1.6E3 2150.9495 1.4E3 2165.9636 1.2E3 2166.9707 1.4E3 2168.9717 1.1E3 2248.0396 1.3E3 END IONS BEGIN IONS FEATURE_ID=601 PEPMASS=1150.7683 SCANS=601 RTINSECONDS=2304.359 CHARGE=1 MSLEVEL=2 82.0653 1.5E3 99.0916 8.4E3 100.0869 1.6E3 101.0709 9.0E3 101.1072 2.4E3 227.1750 2.1E3 245.1854 1.5E3 326.2433 2.5E3 328.1859 1.6E3 342.2014 1.1E3 360.2119 1.8E3 366.2633 3.0E3 384.2735 2.4E3 395.2646 1.1E3 423.2589 1.8E3 441.2702 1.3E4 442.2743 2.1E3 455.2857 1.7E3 459.2815 2.9E3 479.3467 2.8E3 497.3576 6.4E3 498.3609 1.0E3 508.3494 1.6E3 515.3688 1.8E3 536.3433 2.6E3 554.3533 6.6E3 555.3586 1.6E3 568.3694 1.1E3 572.3649 3.3E3 574.4183 1.1E3 582.4463 1.1E3 586.3805 1.1E3 592.4307 4.0E3 610.4420 1.4E4 611.4450 4.4E3 612.3845 1.6E3 667.4378 1.0E4 668.4401 3.0E3 685.4487 9.3E4 686.4520 3.0E4 687.4553 1.5E3 691.4998 4.0E3 707.4604 1.3E3 708.4619 1.0E3 709.5103 1.2E4 710.5137 3.9E3 723.5270 1.6E3 725.4688 4.6E3 726.4734 1.3E3 806.5259 3.6E3 807.5296 1.4E3 820.5411 1.4E3 822.5944 3.8E3 823.5970 2.2E3 824.5378 4.8E3 825.5398 1.3E3 838.5544 1.5E3 891.6160 3.9E3 892.6130 1.5E3 919.6111 7.0E3 920.6127 3.7E3 937.6213 1.2E4 938.6248 6.4E3 951.6379 3.3E3 952.6391 1.6E3 1005.6846 1.0E3 1018.6784 2.2E3 1019.6818 1.5E3 1022.7099 5.7E3 1023.7139 3.0E3 1032.6951 1.5E4 1033.6969 7.6E3 1034.7008 1.1E3 1050.7054 8.8E4 1051.7085 5.2E4 1052.7106 6.0E3 END IONS BEGIN IONS FEATURE_ID=602 PEPMASS=1151.7904 SCANS=602 RTINSECONDS=2449.588 CHARGE=1+ MSLEVEL=2 87.0921 2.5E3 441.2705 4.6E3 511.3736 1.7E3 554.3550 2.7E3 572.3637 1.5E3 606.4489 2.0E3 624.4576 4.1E3 667.4401 2.7E3 685.4488 3.0E4 686.4518 5.1E3 705.5142 1.5E3 723.5259 3.6E3 739.4818 1.2E3 838.5507 2.0E3 905.6295 1.3E3 933.6278 3.0E3 934.6246 1.0E3 951.6359 4.7E3 965.6484 1.3E3 1036.7261 2.1E3 1046.7109 6.7E3 1047.7128 1.6E3 1064.7212 3.9E4 1065.7242 9.6E3 END IONS BEGIN IONS FEATURE_ID=603 PEPMASS=1151.7909 SCANS=603 RTINSECONDS=2451.381 CHARGE=1+ MSLEVEL=2 87.0921 2.5E3 441.2705 4.6E3 511.3736 1.7E3 554.3550 2.7E3 572.3637 1.5E3 606.4489 2.0E3 624.4576 4.1E3 667.4401 2.7E3 685.4488 3.0E4 686.4518 5.1E3 705.5142 1.5E3 723.5259 3.6E3 739.4818 1.2E3 838.5507 2.0E3 905.6295 1.3E3 933.6278 3.0E3 934.6246 1.0E3 951.6359 4.7E3 965.6484 1.3E3 1036.7261 2.1E3 1046.7109 6.7E3 1047.7128 1.6E3 1064.7212 3.9E4 1065.7242 9.6E3 END IONS BEGIN IONS FEATURE_ID=604 PEPMASS=1152.7483 SCANS=604 RTINSECONDS=2115.958 CHARGE=1+ MSLEVEL=2 85.0556 1.2E3 85.0764 5.0E5 86.0798 3.8E3 86.0968 2.3E3 111.0920 2.6E3 117.0912 2.3E3 128.1183 9.6E3 129.1024 2.5E3 129.1217 1.9E3 130.0975 7.1E3 130.1338 4.0E3 131.0815 2.1E5 132.0848 2.1E3 133.0858 1.4E3 175.1329 1.1E3 227.1752 1.5E3 229.1184 1.1E3 245.1857 1.8E3 326.2440 1.7E3 328.1863 1.6E3 338.2329 1.6E3 342.2017 1.6E3 360.2125 2.0E3 423.2599 1.5E3 441.2703 1.4E4 451.3157 2.9E3 455.2852 1.0E3 459.2803 2.9E3 469.3260 5.3E3 487.3368 1.1E3 508.3494 2.8E3 536.3444 3.0E3 546.3888 1.5E3 554.3542 8.0E3 555.3586 1.2E3 564.3997 5.3E3 572.3643 3.0E3 582.4106 1.4E4 583.4159 1.5E3 584.3530 1.1E3 586.3798 2.0E3 645.4575 1.7E3 663.4686 4.6E3 667.4380 9.1E3 679.4266 2.0E3 681.4785 1.1E4 682.4831 1.0E3 685.4486 1.0E5 686.4518 1.5E4 687.4539 1.8E3 697.4373 5.1E3 751.4841 1.4E3 764.5153 1.1E3 778.4951 3.9E3 792.5112 1.7E3 794.5620 3.8E3 796.5061 5.1E3 797.5083 1.2E3 810.5216 1.3E3 845.5729 1.2E3 863.5840 4.5E3 873.5679 1.2E3 891.5786 9.2E3 892.5817 1.4E3 905.5921 1.2E3 909.5902 1.5E4 910.5920 3.9E3 923.6045 3.4E3 976.6673 1.0E3 986.6573 1.3E3 994.6789 8.7E3 995.6812 1.9E3 1004.6632 2.4E4 1005.6674 6.0E3 1022.6739 1.5E5 1023.6771 3.9E4 1024.6796 2.7E3 1025.6831 1.5E3 END IONS BEGIN IONS FEATURE_ID=605 PEPMASS=1161.7851 SCANS=605 RTINSECONDS=2204.449 CHARGE=1+ MSLEVEL=2 85.0764 1.6E3 91.5060 1.1E3 124.0870 1.8E3 125.1074 4.9E3 126.1026 6.0E4 441.2698 2.6E3 483.3423 1.1E3 554.3546 1.6E3 596.4262 1.9E3 667.4379 1.8E3 685.4485 1.7E4 686.4528 3.0E3 695.4938 1.9E3 905.5941 1.9E3 923.6057 2.2E3 924.6056 1.0E3 1008.6943 1.9E3 1018.6805 3.7E3 1019.6815 1.1E3 1036.6897 2.2E4 1037.6935 7.3E3 1038.6970 1.0E3 END IONS BEGIN IONS FEATURE_ID=606 PEPMASS=1161.7864 SCANS=606 RTINSECONDS=2237.639 CHARGE=1+ MSLEVEL=2 111.0919 1.7E4 112.0871 3.4E4 112.0952 1.3E3 125.1074 1.3E3 126.1026 1.9E4 441.2705 1.8E3 455.2856 1.3E3 483.3424 1.0E3 568.3696 1.4E3 578.4158 1.0E3 596.4261 2.9E3 685.4490 8.3E3 686.4504 2.0E3 695.4929 1.4E3 699.4644 8.8E3 700.4664 1.8E3 711.4541 1.0E3 824.5357 1.1E3 923.6068 1.1E3 937.6201 2.9E3 1008.6920 1.1E3 1018.6758 1.9E3 1032.6917 1.9E3 1036.6904 9.6E3 1037.6937 2.6E3 1050.7056 1.3E4 1051.7081 4.2E3 END IONS BEGIN IONS FEATURE_ID=607 PEPMASS=1161.7864 SCANS=607 RTINSECONDS=2296.335 CHARGE=1+ MSLEVEL=2 85.0764 1.3E3 95.0607 1.1E3 111.0919 2.6E4 112.0871 9.9E4 112.0953 1.5E3 113.1073 1.0E3 126.1027 2.8E3 366.2629 1.1E3 441.2698 3.6E3 497.3579 1.7E3 554.3544 1.2E3 592.4319 1.0E3 610.4407 3.1E3 667.4370 2.3E3 685.4489 2.2E4 686.4509 4.0E3 709.5107 3.7E3 725.4689 1.0E3 824.5392 2.1E3 919.6090 1.6E3 937.6215 3.4E3 1018.6758 1.5E3 1022.7092 2.1E3 1032.6946 3.5E3 1036.6887 2.5E3 1050.7062 1.9E4 1051.7084 6.3E3 END IONS BEGIN IONS FEATURE_ID=608 PEPMASS=1163.8022 SCANS=608 RTINSECONDS=2195.397 CHARGE=1+ MSLEVEL=2 85.0765 2.3E4 91.5063 1.7E3 111.0919 2.5E4 125.1074 1.6E3 126.1026 3.9E4 127.0865 1.1E3 127.0976 2.7E3 127.1060 5.0E3 127.1233 2.5E3 128.0819 5.2E3 128.1182 1.2E5 129.1024 1.8E3 129.1214 1.1E3 441.2703 3.2E3 483.3428 1.3E3 554.3536 1.8E3 572.3649 1.3E3 578.4153 1.3E3 596.4257 2.4E3 597.4288 1.4E3 667.4374 1.9E3 668.4421 1.2E3 685.4489 2.0E4 686.4519 7.4E3 687.4533 2.4E3 695.4948 3.0E3 696.4997 1.4E3 810.5213 1.1E3 905.5945 1.5E3 923.6048 2.5E3 924.6075 1.8E3 1008.6953 2.1E3 1018.6793 3.4E3 1019.6818 2.6E3 1020.6876 1.5E3 1036.6901 2.5E4 1037.6925 1.6E4 1038.6959 8.7E3 1039.6953 1.1E3 END IONS BEGIN IONS FEATURE_ID=609 PEPMASS=1166.7641 SCANS=609 RTINSECONDS=2157.327 CHARGE=1+ MSLEVEL=2 85.0764 8.1E4 115.0755 1.3E3 117.0910 1.5E3 128.1183 1.9E3 130.0976 1.8E3 130.1338 1.8E3 131.0815 3.1E4 144.1133 1.1E3 455.2857 3.0E3 564.4010 1.0E3 568.3692 1.8E3 582.4108 3.2E3 586.3817 1.0E3 681.4528 1.3E3 685.4481 1.4E3 695.4942 2.5E3 697.4376 1.2E3 699.4641 2.0E4 700.4675 2.1E3 792.5092 1.4E3 810.5206 1.4E3 877.5981 1.2E3 905.5936 1.3E3 923.6063 4.1E3 1008.6912 1.1E3 1018.6787 5.2E3 1022.6742 1.2E3 1023.6754 1.4E3 1036.6897 2.9E4 1037.6925 8.6E3 1038.6903 1.1E3 END IONS BEGIN IONS FEATURE_ID=610 PEPMASS=1166.7704 SCANS=610 RTINSECONDS=2177.79 CHARGE=1+ MSLEVEL=2 85.0764 4.0E5 86.0798 4.3E3 111.0918 3.1E3 128.1182 1.1E4 129.1022 1.8E3 129.1217 2.1E3 130.0975 5.3E3 130.1338 2.0E3 131.0815 1.7E5 132.0850 1.8E3 227.1753 1.8E3 326.2434 1.4E3 328.1862 1.1E3 342.2016 1.0E3 352.2486 1.9E3 360.2130 1.2E3 423.2594 1.8E3 441.2700 1.2E4 442.2735 1.2E3 459.2812 1.9E3 465.3309 2.6E3 483.3419 4.3E3 501.3534 2.0E3 508.3487 2.0E3 536.3426 2.9E3 554.3535 6.3E3 560.4052 1.1E3 572.3647 3.1E3 578.4158 4.9E3 586.3792 1.1E3 596.4260 1.2E4 597.4311 2.5E3 667.4382 8.6E3 677.4836 5.8E3 678.4876 1.1E3 685.4484 9.6E4 686.4518 1.5E4 687.4542 1.7E3 693.4417 1.6E3 695.4939 1.1E4 696.4965 2.5E3 709.5094 1.4E3 711.4528 4.1E3 792.5109 3.8E3 808.5786 3.2E3 810.5212 4.6E3 811.5218 1.1E3 815.4740 1.0E3 824.5363 1.7E3 877.6003 3.4E3 905.5945 6.9E3 906.5984 1.7E3 919.6083 1.2E3 923.6057 1.5E4 924.6078 4.1E3 937.6182 2.5E3 938.6264 1.1E3 991.6710 1.5E3 1008.6944 6.0E3 1009.6959 1.5E3 1018.6779 2.1E4 1019.6826 6.5E3 1036.6895 1.4E5 1037.6926 3.6E4 1038.6958 4.6E3 END IONS BEGIN IONS FEATURE_ID=611 PEPMASS=1166.7638 SCANS=611 RTINSECONDS=2206.46 CHARGE=1+ MSLEVEL=2 85.0764 4.0E5 86.0798 4.3E3 111.0918 3.1E3 128.1182 1.1E4 129.1022 1.8E3 129.1217 2.1E3 130.0975 5.3E3 130.1338 2.0E3 131.0815 1.7E5 132.0850 1.8E3 227.1753 1.8E3 326.2434 1.4E3 328.1862 1.1E3 342.2016 1.0E3 352.2486 1.9E3 360.2130 1.2E3 423.2594 1.8E3 441.2700 1.2E4 442.2735 1.2E3 459.2812 1.9E3 465.3309 2.6E3 483.3419 4.3E3 501.3534 2.0E3 508.3487 2.0E3 536.3426 2.9E3 554.3535 6.3E3 560.4052 1.1E3 572.3647 3.1E3 578.4158 4.9E3 586.3792 1.1E3 596.4260 1.2E4 597.4311 2.5E3 667.4382 8.6E3 677.4836 5.8E3 678.4876 1.1E3 685.4484 9.6E4 686.4518 1.5E4 687.4542 1.7E3 693.4417 1.6E3 695.4939 1.1E4 696.4965 2.5E3 709.5094 1.4E3 711.4528 4.1E3 792.5109 3.8E3 808.5786 3.2E3 810.5212 4.6E3 811.5218 1.1E3 815.4740 1.0E3 824.5363 1.7E3 877.6003 3.4E3 905.5945 6.9E3 906.5984 1.7E3 919.6083 1.2E3 923.6057 1.5E4 924.6078 4.1E3 937.6182 2.5E3 938.6264 1.1E3 991.6710 1.5E3 1008.6944 6.0E3 1009.6959 1.5E3 1018.6779 2.1E4 1019.6826 6.5E3 1036.6895 1.4E5 1037.6926 3.6E4 1038.6958 4.6E3 END IONS BEGIN IONS FEATURE_ID=612 PEPMASS=1166.7637 SCANS=612 RTINSECONDS=2238.863 CHARGE=1+ MSLEVEL=2 85.0765 4.2E4 128.1183 1.1E3 130.0974 1.4E3 131.0815 1.7E4 441.2702 1.5E3 596.4252 2.2E3 667.4388 1.0E3 685.4489 1.0E4 686.4513 2.2E3 695.4947 1.7E3 699.4649 2.2E3 711.4531 1.1E3 905.5937 1.2E3 923.6050 1.6E3 1018.6801 2.5E3 1019.6796 1.6E3 1036.6897 1.6E4 1037.6937 4.0E3 1050.7084 2.3E3 END IONS BEGIN IONS FEATURE_ID=613 PEPMASS=1166.7643 SCANS=613 RTINSECONDS=2321.161 CHARGE=1+ MSLEVEL=2 85.0764 6.3E4 91.5079 1.4E3 130.0975 1.8E3 131.0814 2.5E4 441.2697 2.0E3 596.4257 3.0E3 667.4375 1.5E3 685.4484 1.7E4 686.4507 4.7E3 695.4944 2.9E3 923.6044 3.2E3 1008.6936 1.6E3 1018.6785 3.1E3 1019.6785 1.5E3 1036.6896 2.3E4 1037.6930 7.3E3 1038.6958 2.9E3 END IONS BEGIN IONS FEATURE_ID=614 PEPMASS=1166.7648 SCANS=614 RTINSECONDS=2338.855 CHARGE=1+ MSLEVEL=2 85.0764 6.3E4 91.5079 1.4E3 130.0975 1.8E3 131.0814 2.5E4 441.2697 2.0E3 596.4257 3.0E3 667.4375 1.5E3 685.4484 1.7E4 686.4507 4.7E3 695.4944 2.9E3 923.6044 3.2E3 1008.6936 1.6E3 1018.6785 3.1E3 1019.6785 1.5E3 1036.6896 2.3E4 1037.6930 7.3E3 1038.6958 2.9E3 END IONS BEGIN IONS FEATURE_ID=615 PEPMASS=1175.8020 SCANS=615 RTINSECONDS=2300.336 CHARGE=1+ MSLEVEL=2 124.0869 1.7E3 125.1072 1.8E3 126.1026 4.3E4 441.2694 2.4E3 554.3538 1.4E3 610.4409 2.6E3 667.4372 1.9E3 685.4486 1.8E4 686.4514 4.2E3 709.5095 2.3E3 725.4672 1.0E3 806.5249 1.2E3 824.5361 1.0E3 919.6075 1.4E3 937.6205 2.1E3 1022.7070 1.5E3 1032.6952 3.0E3 1050.7054 1.7E4 1051.7083 6.2E3 1052.7104 1.1E3 END IONS BEGIN IONS FEATURE_ID=616 PEPMASS=1180.7803 SCANS=616 RTINSECONDS=2237.639 CHARGE=1+ MSLEVEL=2 85.0764 5.5E4 91.5081 1.8E3 128.1182 1.5E3 130.0975 1.6E3 131.0815 2.3E4 144.0767 2.0E3 144.1132 1.7E3 455.2850 1.9E3 483.3419 1.8E3 568.3693 1.6E3 578.4150 1.4E3 596.4253 3.9E3 681.4533 1.3E3 685.4479 3.8E3 686.4506 1.7E3 691.5002 1.0E3 699.4641 1.6E4 700.4667 3.9E3 709.5107 2.5E3 806.5265 1.0E3 824.5357 1.9E3 919.6078 1.3E3 937.6217 2.8E3 1022.7079 1.3E3 1032.6951 4.6E3 1033.6947 1.2E3 1036.6921 2.2E3 1037.6932 3.3E3 1050.7059 2.3E4 1051.7095 6.7E3 1052.7078 1.4E3 END IONS BEGIN IONS FEATURE_ID=617 PEPMASS=1180.7800 SCANS=617 RTINSECONDS=2260.401 CHARGE=1+ MSLEVEL=2 85.0764 5.5E4 91.5060 1.1E3 130.0974 2.6E3 131.0814 2.3E4 158.0923 1.1E3 455.2848 1.4E3 568.3695 1.2E3 578.4156 1.3E3 596.4256 2.6E3 677.4835 1.6E3 685.4473 1.2E3 695.4952 3.2E3 699.4643 2.0E4 700.4672 4.2E3 725.4676 1.1E3 806.5242 1.4E3 824.5364 2.4E3 825.5389 1.0E3 937.6208 3.2E3 938.6222 1.4E3 1018.6752 1.4E3 1022.7142 2.7E3 1032.6940 2.2E3 1036.6892 1.0E3 1050.7058 2.7E4 1051.7083 8.4E3 1052.7085 2.0E3 END IONS BEGIN IONS FEATURE_ID=618 PEPMASS=1180.7795 SCANS=618 RTINSECONDS=2304.359 CHARGE=1+ MSLEVEL=2 85.0765 1.3E5 91.5061 1.3E3 111.0918 1.0E3 128.1183 2.0E3 130.0974 3.3E3 130.1340 1.4E3 131.0815 4.5E4 441.2700 4.5E3 459.2803 1.1E3 479.3474 1.4E3 497.3581 2.1E3 536.3449 1.2E3 554.3544 3.8E3 572.3650 1.6E3 592.4310 1.9E3 610.4421 4.7E3 611.4457 1.8E3 667.4381 4.7E3 685.4489 3.6E4 686.4523 8.6E3 687.4537 1.3E3 709.5106 5.2E3 725.4700 1.2E3 806.5267 1.1E3 822.5941 1.6E3 824.5365 2.0E3 891.6144 1.4E3 919.6087 3.0E3 937.6234 6.8E3 938.6238 1.4E3 1022.7109 2.6E3 1032.6943 5.8E3 1033.6975 1.2E3 1050.7058 4.3E4 1051.7084 1.5E4 1052.7122 3.4E3 END IONS BEGIN IONS FEATURE_ID=619 PEPMASS=1188.7950 SCANS=619 RTINSECONDS=2195.397 CHARGE=1+ MSLEVEL=2 91.5081 1.3E3 110.0714 3.2E3 112.0871 1.6E4 151.0978 8.9E3 152.1185 4.3E3 153.1134 5.4E4 154.1339 1.1E3 441.2701 2.7E3 465.3310 1.1E3 578.4151 1.0E3 596.4260 2.0E3 667.4379 1.8E3 677.4826 1.4E3 685.4487 1.5E4 686.4510 7.5E3 687.4545 1.7E3 695.4954 2.4E3 696.4965 1.6E3 905.5942 1.5E3 923.6054 2.7E3 924.6070 1.8E3 1009.6958 1.5E3 1018.6794 2.6E3 1019.6830 2.6E3 1036.6896 1.9E4 1037.6924 1.4E4 1038.6965 7.0E3 END IONS BEGIN IONS FEATURE_ID=620 PEPMASS=1202.8104 SCANS=620 RTINSECONDS=2300.336 CHARGE=1+ MSLEVEL=2 91.5081 1.5E3 110.0715 1.7E3 111.0919 1.2E3 112.0871 1.3E4 151.0978 5.3E3 152.1184 2.5E3 153.1134 4.5E4 441.2704 2.4E3 554.3544 2.1E3 572.3659 1.0E3 610.4421 2.5E3 611.4460 1.2E3 667.4375 2.0E3 668.4408 1.2E3 685.4486 1.7E4 686.4523 7.3E3 687.4539 1.6E3 709.5099 1.7E3 710.5140 1.3E3 937.6189 1.7E3 938.6235 2.2E3 1022.7062 1.4E3 1032.6945 2.8E3 1033.6957 1.8E3 1050.7056 1.5E4 1051.7078 1.1E4 1052.7122 5.4E3 END IONS BEGIN IONS FEATURE_ID=621 PEPMASS=1225.1145 SCANS=621 RTINSECONDS=1323.789 CHARGE=2+ MSLEVEL=2 180.4555 2.6E3 180.4589 2.0E3 180.7128 2.1E3 180.7160 1.8E3 185.6966 1.3E3 199.8707 1.2E3 201.3368 1.3E3 204.7283 1.6E3 205.9111 3.8E3 208.2287 1.3E3 210.9869 1.8E3 220.1644 1.4E3 230.5984 3.0E3 231.1125 2.8E3 232.1404 1.5E3 250.8794 1.5E3 257.0485 1.4E3 272.1596 1.7E3 285.6226 3.2E3 300.1482 2.6E3 302.1856 2.2E3 303.1698 3.8E4 304.1734 6.5E3 312.6454 1.8E3 317.6744 1.6E3 320.7052 2.3E3 320.8270 2.4E3 321.6510 2.8E4 322.1523 9.1E3 330.1808 5.9E3 335.1462 2.4E3 335.1563 3.2E4 335.6583 7.9E3 342.1637 3.0E3 344.1963 1.3E4 344.6541 4.2E3 355.1971 9.4E3 357.1697 9.3E4 357.6714 3.0E4 358.1696 1.5E3 371.1667 7.4E3 371.6665 1.9E3 380.1722 4.2E3 384.4757 2.1E3 400.1604 2.1E3 401.2181 5.3E3 412.6866 2.3E3 413.6727 2.5E3 421.2133 2.8E3 421.6913 2.6E6 422.1925 1.0E6 422.6941 1.7E5 423.1949 6.1E3 443.2650 4.3E3 450.2381 4.6E4 451.2413 7.4E3 461.2761 2.6E3 469.1188 1.8E3 484.2542 1.8E3 502.2656 6.5E4 503.2689 1.2E4 505.2121 3.6E3 514.3029 6.2E3 533.2753 4.4E4 534.2787 7.8E3 546.7176 1.9E3 551.2859 1.3E4 566.4349 1.9E3 597.3397 2.3E3 601.8953 2.0E3 604.3494 8.0E3 605.3517 2.6E3 615.3497 1.1E5 616.3526 3.2E4 617.3560 3.6E3 620.2440 2.4E3 632.3439 1.1E5 633.3472 4.0E4 634.3240 8.1E3 634.3509 4.6E3 635.3278 2.4E3 639.1835 2.0E3 639.9966 1.9E3 642.2965 5.2E3 647.4946 2.1E3 650.3538 2.6E4 651.3559 8.0E3 687.3170 5.4E3 703.3812 3.3E4 704.3834 9.2E3 705.3588 3.3E3 713.3328 3.4E3 714.1907 1.9E3 733.3922 3.3E3 744.2576 2.0E3 752.7746 1.9E3 758.8831 3.2E3 759.3396 3.9E3 760.3398 2.8E3 772.8794 1.4E4 773.3801 1.4E4 773.8824 3.8E3 776.4337 5.4E3 777.8745 2.8E3 785.3810 3.8E3 786.4212 8.4E3 787.4220 3.1E3 795.3702 2.4E3 797.8862 3.6E3 798.3488 1.6E4 798.3872 1.5E4 799.3527 6.6E3 799.3893 5.0E3 801.8804 2.4E3 804.4289 1.0E5 805.4322 3.4E4 806.4338 6.4E3 814.3953 6.4E3 814.9006 3.3E3 815.8880 4.9E3 816.3923 9.7E3 822.7852 2.1E3 822.8972 2.1E3 823.4030 3.7E6 823.9038 3.9E6 824.4047 1.4E6 824.9065 2.1E5 825.3685 4.0E3 825.4056 3.0E3 842.3755 6.9E5 843.3787 2.7E5 844.3812 4.6E4 965.6619 2.3E3 1014.1047 2.2E3 1040.4097 2.3E3 1329.9885 2.4E3 1563.2699 2.5E3 1801.4001 3.3E3 1818.3378 2.7E3 1906.7170 3.1E3 2092.7197 2.5E3 2516.7419 2.4E3 END IONS BEGIN IONS FEATURE_ID=622 PEPMASS=1233.0980 SCANS=622 RTINSECONDS=1325.696 CHARGE=2+ MSLEVEL=2 211.1745 1.2E3 231.1122 2.5E3 254.1498 1.1E3 261.1591 2.1E3 272.1604 1.2E3 275.1744 1.0E3 302.1866 2.0E3 303.1700 6.3E4 304.1731 8.1E3 310.1755 1.1E3 324.3252 1.8E3 325.3295 1.6E3 329.1391 1.0E3 329.6370 1.5E4 330.1388 3.6E3 330.1803 8.8E3 332.1591 1.2E3 337.1867 1.2E3 338.1701 2.7E3 344.1963 1.5E4 345.1998 2.9E3 355.1971 1.4E4 356.2011 1.6E3 364.1582 1.6E3 364.6576 4.9E3 365.1561 2.7E4 365.6575 7.3E3 366.1577 1.9E3 374.1610 2.3E3 379.1533 9.8E3 379.6552 3.1E3 383.1918 2.3E3 401.2177 6.8E3 415.2702 1.9E3 420.6720 3.6E3 421.6907 2.9E3 422.2432 7.0E3 423.2471 1.5E3 428.6801 1.1E4 429.1795 4.3E4 429.6777 3.6E5 430.1790 1.5E5 430.3885 5.6E3 430.6791 3.6E4 431.1792 3.7E3 431.2288 2.2E3 443.2646 6.7E3 444.2675 1.1E3 445.2434 2.3E3 450.2383 7.1E4 451.2415 1.8E4 452.2439 1.8E3 461.2760 1.6E3 474.2701 2.2E3 476.1625 2.0E3 484.2545 3.8E3 502.2656 9.8E4 503.2690 2.2E4 504.1579 1.9E3 504.2716 2.7E3 507.2599 2.3E3 514.3022 1.2E4 515.3058 1.6E3 523.2910 1.0E3 526.3021 1.4E3 533.2755 6.7E4 534.2789 1.8E4 535.2828 1.7E3 551.2858 2.0E4 552.2892 6.2E3 556.1855 1.2E3 561.2143 4.2E3 562.2186 1.6E3 587.1940 2.9E3 587.3549 2.6E3 597.3391 4.7E3 598.3423 1.6E3 604.3491 6.3E3 605.3521 2.1E3 606.3282 4.0E3 610.1960 1.9E3 615.3496 1.9E5 616.3530 5.0E4 617.3558 6.5E3 622.3603 1.1E3 632.3439 1.8E5 633.3470 5.8E4 634.3228 1.2E4 634.3500 7.8E3 635.3283 2.6E3 640.7985 1.1E3 650.3544 3.4E4 651.3575 1.2E4 652.3604 1.5E3 656.2738 1.1E3 658.2681 1.8E4 659.2715 6.5E3 660.2469 2.7E3 660.2732 1.0E3 668.2568 1.6E3 684.2662 1.3E3 686.2635 2.7E4 687.2659 9.2E3 688.2648 2.5E3 703.2895 1.7E3 703.3810 3.0E4 704.3837 1.1E4 705.3597 3.4E3 705.3900 1.8E3 706.3638 1.0E3 730.3132 2.2E3 731.3168 1.8E3 733.3922 8.0E3 734.3964 2.6E3 750.3417 1.5E3 757.2999 7.0E3 758.3054 2.6E3 759.3004 4.5E3 766.2852 3.1E3 767.2879 1.2E3 775.3098 1.0E3 776.4329 6.3E3 777.4371 1.2E3 785.3582 2.8E3 785.8605 1.9E3 786.3611 1.2E3 786.4183 1.5E4 787.4227 5.9E3 794.8621 7.7E3 795.3638 1.2E4 795.8660 5.7E3 796.3457 7.9E3 797.3495 3.0E3 804.4288 1.3E5 805.4319 5.1E4 806.4347 9.4E3 810.3647 1.5E3 812.3644 2.1E3 813.3121 3.2E3 813.3614 3.4E3 814.2838 3.9E3 814.3214 2.0E4 814.3585 6.7E4 815.2888 4.2E3 815.3250 6.7E3 815.3611 2.6E4 816.2919 1.2E3 816.3596 1.7E4 817.3622 2.4E3 822.3846 1.3E3 823.4033 2.7E3 824.8799 1.0E3 830.3917 1.0E4 830.4324 1.1E3 830.8914 5.7E4 831.3895 5.0E5 831.8905 4.6E5 832.3911 1.9E5 832.8915 3.3E4 840.3378 1.1E4 841.3400 4.8E3 856.3531 2.2E4 857.3491 6.1E4 858.3482 6.8E5 859.3510 2.9E5 860.3506 1.1E5 861.3528 1.2E4 889.3310 3.4E3 890.3329 2.4E3 1041.0477 1.4E3 END IONS BEGIN IONS FEATURE_ID=623 PEPMASS=1234.1023 SCANS=623 RTINSECONDS=1321.881 CHARGE=2+ MSLEVEL=2 171.1124 1.1E3 190.0858 1.4E3 201.1232 1.4E3 231.1123 5.7E3 233.1644 2.3E3 238.5845 2.3E3 254.1490 1.8E3 261.1588 2.1E3 267.1331 1.4E3 272.1600 1.1E3 275.1754 1.6E3 302.1859 2.3E3 303.1700 1.1E5 304.1731 1.9E4 305.1761 1.2E3 310.1754 2.2E3 317.1323 1.1E3 320.6320 2.2E3 325.3294 1.1E3 327.2025 1.7E3 329.1388 2.2E3 329.6370 2.7E4 330.1391 1.1E4 330.1805 1.7E4 330.6377 4.5E3 331.1843 2.8E3 332.1606 2.0E3 337.1865 3.5E3 338.1702 4.3E3 339.1744 1.1E3 343.1436 1.5E3 343.6354 1.8E3 344.1963 2.7E4 345.1997 5.0E3 355.1970 2.1E4 356.1050 1.6E3 356.2006 4.0E3 362.2068 2.7E3 364.1585 1.4E3 364.6582 4.3E3 365.1271 1.0E3 365.1559 4.3E4 365.6576 1.9E4 366.1574 6.7E3 367.2334 1.5E3 374.1152 1.8E3 374.1613 1.6E3 374.6633 1.4E3 379.1534 1.9E4 379.6549 8.4E3 380.1541 2.0E3 383.1914 3.9E3 393.1502 1.2E3 401.2179 1.0E4 402.2211 2.8E3 403.1962 1.3E3 413.2180 1.3E3 415.2338 1.9E3 415.2701 3.2E3 419.2285 1.1E3 420.6727 5.2E3 421.1732 3.8E3 421.6906 1.2E3 422.2431 1.1E4 423.2468 4.1E3 428.3926 1.2E3 428.6800 7.0E3 429.1796 5.1E4 429.2130 1.4E3 429.6777 5.4E5 430.1790 3.1E5 430.3885 5.2E3 430.6792 1.1E5 431.1796 2.2E4 431.2278 4.3E3 431.6743 3.7E3 432.2322 1.4E3 443.2648 1.1E4 444.2680 3.3E3 445.2451 3.0E3 450.2382 1.1E5 451.2416 3.4E4 452.2440 3.5E3 461.2754 1.5E3 474.2703 3.1E3 476.1628 3.7E3 477.1673 1.1E3 484.2554 4.7E3 485.2399 1.1E3 485.2582 1.8E3 486.3074 1.7E3 498.2708 1.1E3 502.2655 1.6E5 503.2687 4.7E4 504.1584 3.1E3 504.2726 6.0E3 505.2796 1.2E3 507.2597 5.6E3 508.2635 1.4E3 514.3022 2.1E4 515.3047 5.7E3 516.2794 1.5E3 523.2901 2.2E3 526.3027 2.1E3 530.2601 1.3E3 533.2754 1.2E5 534.2786 4.2E4 535.1992 1.4E3 535.2816 7.0E3 542.2987 1.2E3 543.2042 1.2E3 544.3121 3.2E3 545.3150 1.5E3 550.3008 1.0E3 551.2858 3.4E4 552.2894 1.4E4 553.2938 1.8E3 554.1697 1.1E3 555.1767 1.3E3 556.1848 2.3E3 560.2049 1.1E3 561.1798 1.0E3 561.2153 1.1E4 562.2179 4.4E3 563.2164 2.7E3 587.1951 4.1E3 587.3553 5.2E3 588.1984 1.8E3 588.3568 1.6E3 597.3392 8.8E3 598.3211 1.3E3 598.3421 3.3E3 603.2136 1.0E3 604.2213 2.0E3 604.3492 1.1E4 605.3527 4.3E3 606.3290 7.5E3 607.3303 2.9E3 610.1956 2.3E3 615.3497 2.9E5 616.3528 1.1E5 617.3562 1.9E4 618.3582 2.1E3 632.3438 2.8E5 633.3470 1.2E5 634.3228 1.9E4 634.3499 2.3E4 635.3260 8.6E3 635.3540 2.2E3 636.3307 1.3E3 637.2924 1.0E3 640.2564 1.8E3 650.3542 5.2E4 651.3579 2.5E4 652.3604 4.9E3 653.2488 1.2E3 658.2681 2.9E4 659.2716 1.4E4 660.2463 4.9E3 660.2736 3.4E3 660.3029 1.8E3 661.2493 1.9E3 667.2534 1.0E3 668.2542 1.5E3 669.2654 1.9E3 685.2675 1.3E3 686.2632 4.7E4 687.2659 2.0E4 688.2648 9.1E3 689.2682 2.6E3 696.2545 1.8E3 703.2903 4.1E3 703.3807 4.6E4 704.2928 1.8E3 704.3840 2.1E4 705.3605 4.6E3 705.3865 4.2E3 730.3141 2.3E3 731.3176 3.6E3 731.8502 1.1E3 732.3223 2.1E3 733.3915 1.1E4 734.3964 5.4E3 735.3980 1.1E3 750.3399 1.1E3 750.8425 1.2E3 757.2991 1.2E4 758.3022 4.9E3 759.3002 1.2E4 760.3048 3.1E3 766.2849 4.2E3 767.2895 3.8E3 775.3107 1.3E3 776.4332 1.2E4 777.4366 5.6E3 785.3594 1.1E3 785.8591 4.8E3 786.3010 1.6E3 786.3633 4.6E3 786.4180 2.6E4 787.4210 1.2E4 788.4221 2.4E3 794.8632 7.6E3 795.3634 1.7E4 795.8650 1.1E4 796.3491 9.3E3 797.3524 5.0E3 798.3513 1.9E3 801.2771 1.9E3 804.4289 1.8E5 805.4320 9.6E4 806.4343 2.3E4 807.4374 3.8E3 809.8603 2.5E3 810.3580 1.2E3 812.3621 1.3E3 813.3173 5.3E3 813.3601 6.0E3 814.2842 8.5E3 814.3213 3.1E4 814.3583 1.1E5 815.2877 6.5E3 815.3240 1.6E4 815.3611 5.6E4 816.2912 1.7E3 816.3246 5.1E3 816.3599 5.3E4 817.3621 1.3E4 818.3554 3.1E3 822.3823 1.0E3 823.8755 2.0E3 824.3768 2.5E3 830.3903 3.0E3 830.8914 4.0E4 831.3894 5.6E5 831.8904 7.2E5 832.3910 4.5E5 832.8917 1.5E5 833.3911 2.7E4 839.3342 1.2E3 840.3369 1.9E4 841.3408 9.7E3 842.3414 2.7E3 845.3022 2.0E3 846.3088 1.4E3 856.3524 1.3E4 857.3480 7.1E4 858.3480 1.0E6 859.3506 5.8E5 860.3504 3.1E5 861.3519 6.8E4 862.3455 1.8E4 889.3311 3.9E3 890.3333 3.2E3 891.3328 1.4E3 END IONS BEGIN IONS FEATURE_ID=624 PEPMASS=1252.1294 SCANS=624 RTINSECONDS=1146.927 CHARGE=2+ MSLEVEL=2 171.7047 4.0E3 171.7085 2.8E3 171.9354 4.1E3 171.9394 2.5E3 190.0855 1.4E3 203.9726 1.2E3 210.2262 2.3E3 210.2910 2.5E3 212.5760 1.2E3 220.0643 1.8E3 221.1491 1.2E3 230.5985 1.8E3 231.1124 7.2E3 233.1654 1.8E3 245.0595 1.1E3 246.0433 1.5E3 261.1592 2.2E3 262.1673 1.3E3 262.4099 1.2E3 272.1596 6.3E3 278.1113 1.1E3 282.9875 1.3E3 290.1700 9.0E3 294.6277 2.4E3 296.9674 1.4E3 302.1862 3.0E3 303.1697 8.5E4 304.1733 7.9E3 309.1909 1.7E3 321.6509 1.2E4 322.1532 3.0E3 327.2015 1.4E3 330.1804 1.1E4 335.1561 1.7E4 335.6601 3.2E3 337.1864 2.0E3 337.3263 1.3E3 344.1961 4.2E4 344.6537 2.6E4 345.1554 8.7E3 345.1998 5.4E3 345.2124 2.3E3 348.2927 1.6E3 355.1977 5.3E3 357.1696 3.5E4 357.6711 1.2E4 358.1432 1.5E3 358.1744 2.1E3 371.1674 7.3E3 373.2073 1.5E4 374.2109 2.3E3 380.1723 5.5E4 380.6739 1.9E4 381.1768 1.2E3 399.6960 3.4E4 400.1980 1.2E4 400.6987 2.4E3 401.2037 2.7E3 401.2177 6.5E3 408.6839 5.3E3 409.1836 1.4E3 415.2698 4.7E3 417.8977 2.0E3 421.6915 9.2E3 422.1927 5.8E3 422.2428 9.3E3 423.2473 1.8E3 430.3893 3.0E3 430.6964 7.7E5 431.1978 2.8E5 431.6992 4.6E4 432.2026 3.0E3 442.8790 1.3E3 443.2652 1.1E4 444.2675 2.7E3 450.2379 7.3E4 451.2413 1.5E4 474.2709 1.5E3 492.2821 1.9E3 502.2661 1.2E4 503.2704 3.0E3 514.1991 2.0E3 514.3012 6.9E3 520.2759 1.1E5 521.2796 2.3E4 522.2792 1.4E3 532.3126 3.1E3 533.2751 1.4E5 534.2784 3.3E4 535.2812 4.3E3 545.2415 3.3E3 551.2856 2.0E4 552.2884 6.2E3 565.2791 1.5E3 587.2289 1.8E3 587.2757 1.4E3 588.2495 2.8E3 589.3380 2.0E3 604.3497 1.2E4 605.3672 4.5E3 606.3293 2.7E3 606.3691 1.6E3 615.3501 1.7E4 616.3538 4.7E3 627.7068 1.5E3 632.3436 1.7E5 633.3613 2.1E5 634.3638 5.9E4 635.3659 6.2E3 642.2961 8.6E3 643.2981 1.9E3 649.3683 3.4E3 650.3546 2.8E4 651.3586 6.4E3 652.3328 7.2E3 653.3372 2.9E3 661.3007 8.4E3 662.3032 2.1E3 670.2911 2.7E3 687.3171 3.4E4 688.3231 9.6E3 703.3816 3.2E4 704.3826 1.1E4 705.3864 1.9E3 713.3304 7.8E3 714.3300 1.3E3 717.3362 2.2E3 717.8337 2.1E3 721.3911 2.3E4 722.3950 1.1E4 723.3709 1.2E4 723.4033 2.4E3 724.3719 3.1E3 746.8733 4.3E3 747.3715 2.1E3 751.4022 5.1E3 752.4061 2.2E3 759.3373 1.1E4 767.8884 1.8E3 772.3337 1.1E4 772.3701 7.3E3 773.3389 3.1E3 773.3747 3.1E3 774.3719 4.2E3 777.4146 2.2E3 781.8796 6.2E3 782.3846 7.2E3 790.8876 5.0E3 791.3885 2.5E3 794.4440 2.4E4 795.4461 9.2E3 795.8840 5.3E3 796.3852 5.3E3 798.3502 1.6E4 798.3856 3.1E3 799.3521 5.0E3 799.3896 1.7E3 802.8918 2.5E3 804.4288 4.8E4 805.4308 2.3E4 806.4335 3.2E3 810.4147 3.5E3 810.9160 2.9E3 813.3793 2.1E3 815.8987 3.7E3 816.3598 8.0E5 817.3631 2.8E5 818.3657 4.2E4 819.3969 1.8E3 819.8853 2.6E3 820.3834 1.7E3 822.4395 3.6E5 823.4426 1.5E5 824.4467 2.2E4 832.4086 1.6E4 832.9096 1.5E4 833.4115 5.8E3 833.9000 5.6E3 834.3995 6.6E3 834.9028 4.7E3 840.3965 2.9E3 840.9100 8.7E3 841.4136 5.8E6 841.9138 5.5E6 842.4145 2.1E6 842.9158 3.3E5 843.3788 5.3E3 843.4163 4.3E3 860.3855 8.1E5 861.3885 3.3E5 862.3915 5.6E4 863.3942 3.6E3 942.8076 1.8E3 991.4556 1.7E3 1166.2458 2.0E3 1319.7961 2.1E3 1379.6674 2.2E3 1616.5793 2.0E3 1799.3087 2.3E3 2275.2949 2.4E3 2340.7759 2.1E3 2373.9438 2.2E3 2434.0242 2.0E3 END IONS BEGIN IONS FEATURE_ID=625 PEPMASS=1260.1139 SCANS=625 RTINSECONDS=1146.927 CHARGE=2+ MSLEVEL=2 173.0918 1.6E3 183.1123 1.5E3 190.0855 1.1E3 208.9369 1.0E3 231.1125 7.5E3 232.1159 1.1E3 233.1644 3.3E3 254.1492 1.3E3 261.1591 3.0E3 272.1599 8.5E3 273.1636 1.1E3 275.1748 2.1E3 290.1703 1.3E4 302.1859 6.7E3 303.1699 1.4E5 304.1730 1.3E4 309.1912 1.1E3 327.2025 1.7E3 329.6371 7.9E3 330.1388 2.8E3 330.1805 1.7E4 331.1838 1.6E3 337.1867 1.9E3 344.1962 6.3E4 345.1999 9.2E3 345.2128 4.6E3 355.1964 7.3E3 362.2064 1.8E3 365.1558 4.6E3 373.2074 2.4E4 374.2106 3.0E3 379.1533 8.8E3 379.2317 1.0E3 379.6540 2.9E3 380.1546 1.2E3 401.2029 3.2E3 401.2177 9.0E3 407.6844 1.5E3 408.1844 1.1E3 410.1145 1.0E3 415.2698 6.1E3 416.6694 2.6E3 419.2280 4.0E3 422.2432 1.3E4 423.2470 3.6E3 429.6777 2.9E3 437.6847 5.4E3 438.1850 1.4E4 438.6826 6.2E4 439.1841 1.8E4 439.6847 3.2E3 443.2646 1.4E4 444.2679 2.8E3 450.2382 1.2E5 451.2416 2.2E4 458.2751 1.5E3 461.2756 2.0E3 469.1530 1.0E3 475.2413 2.0E3 476.1617 1.5E3 476.2493 4.4E3 477.1706 2.5E3 477.2541 1.4E3 486.3062 1.1E3 492.2809 4.8E3 493.0406 1.1E3 496.1764 3.0E3 502.2654 2.0E4 503.2694 2.8E3 504.1581 1.4E3 507.2597 1.9E3 512.1584 2.4E3 514.3019 1.1E4 515.3058 1.8E3 520.2762 1.5E5 521.1865 1.2E3 521.2794 2.9E4 522.2819 1.8E3 523.2905 2.0E3 532.2703 1.0E3 532.3132 3.9E3 533.2753 2.2E5 534.2784 4.9E4 535.2827 4.4E3 538.1739 1.2E3 540.1905 2.3E3 548.2702 2.4E3 550.3018 2.0E3 551.2857 3.2E4 552.2889 8.5E3 556.1486 2.0E3 558.1910 1.1E3 559.1985 1.7E3 560.2075 4.1E3 561.2141 9.6E3 562.2196 3.8E3 566.1837 1.3E3 568.1785 1.1E3 571.3595 1.1E3 578.2043 1.1E3 584.1795 1.5E3 587.1953 1.3E3 588.3255 6.0E3 589.2067 1.1E3 589.3337 7.8E3 590.3373 1.6E3 597.3394 2.1E3 598.3435 1.1E3 600.2384 2.3E3 603.2136 3.2E3 604.2209 2.4E3 604.3486 2.1E4 605.3527 2.9E3 605.3654 5.8E3 606.3286 4.9E3 606.3690 1.9E3 607.3306 1.1E3 615.3496 2.5E4 616.2207 2.5E3 616.3531 5.5E3 618.2504 1.6E3 632.2553 4.7E3 632.3438 3.1E5 633.3610 3.6E5 634.3641 9.1E4 635.3655 1.1E4 640.2610 1.4E3 645.2609 1.2E3 650.3543 4.5E4 651.2593 1.7E3 651.3577 1.2E4 652.3341 8.5E3 653.3367 1.5E3 656.2711 1.1E3 657.2736 1.5E3 658.2679 2.4E4 659.2759 1.9E4 660.2473 3.8E3 660.2795 5.3E3 661.2856 1.1E3 666.7280 1.2E3 676.2664 2.4E3 684.2673 1.6E3 685.2787 1.8E3 686.2631 3.3E4 687.2667 1.0E4 696.2789 1.3E3 701.2938 3.3E3 702.2953 4.7E3 702.8135 1.3E3 703.2881 6.0E4 703.3807 7.2E4 703.8111 8.1E3 704.2923 1.4E4 704.3840 2.1E4 705.2925 2.6E3 705.3870 2.0E3 721.3917 3.8E4 722.3946 1.2E4 723.3712 1.3E4 723.4039 2.3E3 724.3738 4.4E3 729.3032 3.5E3 730.3113 7.4E3 731.3188 2.1E3 740.2698 2.9E3 740.3552 5.4E3 740.8544 1.7E3 741.3575 2.9E3 744.2803 2.5E3 748.3223 1.8E3 749.3596 1.1E3 749.8621 1.7E3 750.4186 1.6E3 751.4015 8.4E3 752.4043 1.8E3 756.2913 1.5E3 757.3002 7.9E3 758.3027 1.6E3 759.3029 5.8E3 759.3367 1.4E3 760.3084 2.1E3 760.3990 1.0E3 760.4382 4.0E3 769.3234 1.5E3 770.2946 2.9E3 770.3274 1.9E3 773.3166 1.1E4 774.3172 7.9E3 775.3107 3.4E5 776.3139 1.3E5 776.4315 4.5E3 777.3168 2.0E4 777.4050 6.8E3 778.4130 7.1E3 779.4164 3.2E3 780.4285 1.6E3 784.2933 1.4E3 785.3021 1.5E3 785.3390 2.6E3 786.3118 3.9E3 787.2993 2.7E4 787.3350 4.7E4 788.2673 3.4E3 788.3051 6.6E4 788.3399 2.5E4 789.3080 1.6E4 789.3438 2.5E3 790.2770 1.1E3 790.3110 1.9E3 794.4446 3.8E4 795.3406 1.7E3 795.4476 1.6E4 796.3118 2.7E3 796.4512 1.4E3 803.3298 3.1E3 804.4288 9.4E4 804.8688 1.6E3 805.3546 2.6E3 805.4319 3.7E4 805.8532 2.4E3 806.4352 4.8E3 811.3535 2.1E3 812.3240 5.1E3 812.3602 1.5E3 813.3181 8.6E3 813.3517 6.0E4 814.3215 7.5E4 814.3555 2.7E4 815.3242 2.0E4 815.3589 4.3E3 816.3254 2.3E3 817.3066 1.1E3 818.3770 1.4E3 819.2883 1.1E4 819.3254 3.3E3 820.2901 2.9E3 822.4394 6.0E5 823.4424 2.1E5 824.4457 3.1E4 825.4485 1.8E3 826.8821 2.5E4 827.3842 2.6E4 827.8865 1.0E4 828.3892 1.6E3 829.3289 6.4E3 830.3359 2.1E4 831.3253 2.5E5 832.3314 3.9E5 833.3347 9.8E4 834.3347 2.1E4 840.3370 1.4E3 840.3965 1.4E3 840.8963 1.2E3 841.4162 1.3E3 842.8771 1.3E3 845.3400 1.4E3 848.4017 2.7E4 848.9017 1.5E5 849.3997 7.7E5 849.9008 5.2E5 850.4022 1.3E5 850.9037 5.9E3 856.3510 4.9E3 857.3402 3.1E4 858.3471 5.4E4 859.3513 1.4E4 860.3526 1.8E3 863.3145 2.0E4 864.3160 6.9E3 873.3547 5.0E3 874.3631 3.4E4 874.4043 1.2E3 875.3535 1.5E5 876.3583 6.7E5 877.3613 2.0E5 877.4512 1.6E3 878.3611 4.7E4 1119.5265 1.1E3 1305.6334 1.4E3 1612.2318 1.3E3 1797.8615 1.3E3 1913.9965 1.4E3 2075.0413 1.3E3 2076.5461 1.4E3 2380.7603 1.3E3 END IONS BEGIN IONS FEATURE_ID=626 PEPMASS=1384.7794 SCANS=626 RTINSECONDS=1329.543 CHARGE=1+ MSLEVEL=2 98.0603 2.8E3 104.6670 1.9E3 105.0701 4.8E3 108.0810 2.0E3 110.0605 4.0E3 119.0855 8.3E3 120.0808 1.6E4 121.0648 3.6E3 121.1012 3.0E3 122.0602 1.7E4 126.0910 2.2E3 131.0854 6.6E3 132.1020 5.3E3 133.1010 1.0E4 135.0443 1.5E3 136.0756 2.3E3 136.1121 7.7E3 136.1884 1.5E3 139.6171 1.6E3 140.0706 1.8E3 141.3544 1.6E3 143.0857 9.0E3 145.1012 2.8E4 147.1167 9.6E3 150.0912 2.0E3 155.0854 3.5E3 155.9386 2.8E3 157.1011 1.5E4 159.0804 2.5E3 159.1168 1.2E4 160.0756 3.5E3 162.0912 5.5E3 162.1274 1.8E3 164.1070 5.3E3 169.1009 6.1E3 171.0802 3.0E3 171.1128 3.1E3 171.1166 1.2E4 172.1330 5.2E3 173.1284 2.7E3 173.1324 8.7E3 174.0912 5.5E3 176.1070 6.3E3 182.1176 1.1E5 183.1166 4.4E3 183.1206 2.9E3 184.1333 2.6E4 185.1321 2.5E3 186.0913 6.9E3 188.1070 3.1E3 195.1161 3.8E3 196.1333 6.4E3 197.1323 4.9E3 198.1489 2.5E3 199.0710 1.8E3 199.0854 1.6E3 199.1114 1.9E3 199.1484 5.2E3 199.9952 1.8E3 200.1067 2.3E3 201.1232 3.2E3 201.1275 3.2E3 202.1229 2.1E3 207.1164 2.1E3 208.0968 2.1E3 208.1332 7.5E3 209.0956 5.0E3 209.1325 1.1E4 211.1485 3.8E3 212.1070 4.6E3 212.1647 1.7E3 214.1227 6.6E3 216.1376 3.0E3 219.5843 1.7E3 223.1481 2.5E4 225.1270 2.8E3 225.1639 3.3E3 226.1228 2.1E3 228.1382 2.1E3 231.1127 8.5E3 233.1326 1.0E4 233.1651 3.5E3 234.1123 4.8E4 235.1483 3.7E3 238.1232 2.4E3 239.1428 3.5E3 240.1376 3.8E3 242.1169 1.5E3 242.1537 5.4E3 243.1380 2.5E3 243.7264 1.7E3 244.1696 2.6E3 247.1480 2.4E3 249.1638 2.5E3 249.4949 1.8E3 250.1226 2.0E3 250.1591 2.4E3 251.1427 1.4E5 252.1385 2.0E3 252.1460 7.0E3 254.1542 2.1E3 255.0454 1.8E3 256.1688 1.8E3 257.1542 2.4E3 258.1128 3.8E3 259.1476 2.5E3 260.1279 3.3E4 261.1589 2.0E3 262.1435 7.6E3 262.1794 1.7E3 266.1536 2.0E4 267.1327 1.9E3 268.1326 1.8E3 268.1694 2.0E4 269.1530 8.6E3 270.1487 2.1E3 272.1278 1.5E4 272.1602 4.0E3 274.1435 1.3E4 275.1751 2.3E3 276.1384 1.9E3 276.1959 2.7E3 278.1535 5.1E3 284.1281 3.1E3 286.1433 1.9E4 286.1804 3.7E3 288.0460 1.9E3 288.1590 2.7E4 296.1634 1.7E3 298.1431 5.4E3 300.1593 1.4E4 302.1750 3.0E3 303.1700 2.1E5 304.1544 9.6E3 304.1737 1.1E4 306.1859 5.0E3 306.8766 1.7E3 308.2009 2.6E3 309.1918 2.1E3 310.1759 3.0E3 312.1596 1.8E3 314.1748 1.1E4 318.1849 2.7E3 319.1926 2.1E3 323.2011 2.9E3 327.5647 1.7E3 327.7084 1.7E3 329.1622 2.1E3 330.1808 3.6E4 330.2423 2.7E3 332.1603 4.4E3 333.1847 2.1E3 335.2000 3.8E3 337.1868 2.6E3 338.1706 1.0E4 340.1907 3.1E3 340.2262 2.2E3 344.1964 5.0E4 348.1902 2.1E3 352.1904 5.7E3 352.4475 1.7E3 354.2432 4.0E3 355.1970 4.5E4 356.2003 2.5E3 356.2214 4.0E3 358.2165 5.4E3 362.2072 6.2E3 364.2270 6.2E3 366.2069 3.1E3 367.2333 2.0E3 369.2214 3.3E3 370.3784 1.9E3 372.2539 2.6E3 373.2163 1.1E4 380.2214 5.1E3 381.2257 2.5E3 382.2371 6.1E4 383.1925 7.3E3 383.2410 3.3E3 386.2467 1.5E4 387.2499 2.3E3 388.2634 1.0E4 391.5527 1.9E3 397.2157 2.6E3 397.2477 3.1E3 398.2321 3.2E3 400.2475 8.3E3 401.2178 1.9E4 405.2907 2.1E3 406.2372 4.1E3 414.2425 1.2E4 415.2707 4.7E3 415.6910 1.7E3 420.2529 9.9E3 422.2437 2.4E4 430.2372 2.2E3 431.2282 6.2E3 431.2689 5.1E3 432.2530 2.4E5 433.2566 1.6E4 443.2647 2.7E4 444.2685 2.1E3 445.2439 7.7E3 449.2796 6.9E4 449.6966 1.9E3 450.2385 2.3E5 450.2839 5.6E3 451.2413 1.7E4 457.2434 3.4E3 459.2639 4.4E3 460.1713 1.7E3 461.2760 3.8E3 474.2708 6.7E3 484.2548 1.1E4 485.2397 3.4E3 486.3038 1.7E3 502.2657 2.8E5 503.2691 2.4E4 505.2815 1.6E3 507.2607 1.1E4 513.1747 1.9E3 514.3019 3.5E4 517.3416 7.7E3 519.3582 5.5E3 523.2908 4.4E3 526.3007 5.4E3 533.2755 2.7E5 534.2788 2.9E4 544.3127 5.3E3 545.3364 1.1E4 551.2858 8.2E4 552.2887 9.6E3 559.7353 1.8E3 561.3335 1.8E3 562.3380 1.9E3 563.3475 1.4E5 564.3506 1.7E4 581.3585 5.3E3 587.3541 5.9E3 597.3397 2.0E4 598.3211 2.0E3 604.3488 9.3E3 606.3273 1.4E4 615.3497 5.3E5 616.3529 5.5E4 622.3596 2.8E3 632.3439 6.2E5 633.3470 7.0E4 634.3231 4.4E4 635.3273 3.9E3 650.3545 8.5E4 651.3571 9.2E3 703.3811 6.0E4 704.3840 6.2E3 705.3602 8.6E3 733.3912 1.9E4 734.3916 2.2E3 759.4075 3.2E3 776.4335 1.9E4 777.4373 4.4E3 786.4174 2.9E4 787.4186 3.8E3 796.6905 2.0E3 804.4285 1.8E5 805.4312 3.1E4 880.4938 2.1E3 1051.0201 1.9E3 1184.3336 2.1E3 1202.2686 2.0E3 1222.4846 2.0E3 1327.3979 2.4E3 END IONS nf_output/clustering/spectra_filtered.mgf0000644000000000000000000165276214677277124020034 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=601.3337 CHARGE=1 COLLISION_ENERGY=0.0 54.497 1100.0 72.0811 6000.0 86.0967 30000.0 86.0985 1700.0 111.5514 1400.0 120.0806 19000.0 141.0655 2600.0 155.1174 4600.0 157.0971 6300.0 159.0758 1400.0 173.1282 3700.0 183.1125 7400.0 197.1283 2500.0 201.123 7200.0 231.1127 10000.0 233.1645 51000.0 240.1337 12000.0 248.1386 2700.0 249.1226 2400.0 254.149 10000.0 258.1441 9300.0 261.1591 65000.0 262.1626 3400.0 295.1756 6400.0 296.16 3700.0 323.1709 11000.0 324.1545 15000.0 330.1802 18000.0 341.1811 31000.0 344.1962 200000.0 345.1991 10000.0 353.2173 18000.0 358.175 11000.0 362.2068 12000.0 369.1766 2700.0 387.2017 7400.0 398.243 4200.0 401.2173 21000.0 415.2692 37000.0 436.2544 18000.0 443.2643 110000.0 444.268 8900.0 445.2432 9100.0 454.2649 9500.0 455.2644 9100.0 470.2384 8300.0 472.2908 28000.0 484.2542 7900.0 488.2491 39000.0 500.2856 97000.0 501.2888 11000.0 502.265 31000.0 503.2682 2900.0 516.2444 11000.0 526.3023 4500.0 555.3268 4200.0 556.3112 11000.0 573.3381 38000.0 574.3413 5300.0 END IONS BEGIN IONS SCANS=2 PEPMASS=603.3398 CHARGE=1 COLLISION_ENERGY=0.0 204.0995 7500.0 230.078 1200.0 246.1091 1200.0 286.1769 3400.0 288.156 10000.0 330.1666 5600.0 378.2397 16000.0 379.2431 1600.0 380.2188 83000.0 381.2216 6000.0 422.2287 8000.0 439.2552 1800.0 440.2399 2900.0 449.2762 1700.0 467.2861 2300.0 493.2666 5200.0 511.2768 93000.0 512.2795 9800.0 541.338 3800.0 559.3498 3500.0 END IONS BEGIN IONS SCANS=3 PEPMASS=613.3463 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1200.0 102.0551 1400.0 132.1018 1000.0 136.1122 1000.0 145.1013 1200.0 147.0804 1000.0 180.1018 7300.0 181.0856 1700.0 182.1175 10000.0 184.1328 1300.0 195.1167 1100.0 206.1176 1100.0 213.1274 3700.0 215.1428 2300.0 237.127 1200.0 250.1066 1800.0 252.1226 1100.0 265.1217 1800.0 267.1375 1700.0 268.1173 1100.0 283.1324 1100.0 320.1489 1100.0 344.2214 1100.0 396.2159 1300.0 414.2263 1000.0 446.2315 2700.0 463.2583 1000.0 464.2425 1400.0 577.3261 2300.0 END IONS BEGIN IONS SCANS=4 PEPMASS=613.3477 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1200.0 102.0551 1400.0 132.1018 1000.0 136.1122 1000.0 145.1013 1200.0 147.0804 1000.0 180.1018 7300.0 181.0856 1700.0 182.1175 10000.0 184.1328 1300.0 195.1167 1100.0 206.1176 1100.0 213.1274 3700.0 215.1428 2300.0 237.127 1200.0 250.1066 1800.0 252.1226 1100.0 265.1217 1800.0 267.1375 1700.0 268.1173 1100.0 283.1324 1100.0 320.1489 1100.0 344.2214 1100.0 396.2159 1300.0 414.2263 1000.0 446.2315 2700.0 463.2583 1000.0 464.2425 1400.0 577.3261 2300.0 END IONS BEGIN IONS SCANS=5 PEPMASS=614.3181 CHARGE=1 COLLISION_ENERGY=0.0 55.0549 3300.0 72.0813 370000.0 73.0846 2400.0 74.0605 4800.0 86.097 1400.0 98.097 1600.0 120.0805 2400.0 143.1183 1000.0 147.08 1300.0 155.1177 1600.0 171.1124 2500.0 173.0918 10000.0 182.1173 3800.0 183.1121 2300.0 209.1284 8300.0 227.1388 3200.0 228.1341 1900.0 231.1124 1400.0 232.1326 2800.0 233.1646 1700.0 254.1493 11000.0 260.1273 1300.0 261.159 2800.0 277.1539 1300.0 315.1689 4600.0 330.1804 1900.0 333.1801 5300.0 343.1644 96000.0 344.168 5400.0 344.196 10000.0 355.1965 4600.0 360.1907 5900.0 361.1749 24000.0 362.1783 2000.0 367.2332 2000.0 376.2314 4300.0 414.2378 54000.0 415.2429 3600.0 442.2327 120000.0 443.2365 10000.0 443.264 8500.0 444.2122 18000.0 456.368 1300.0 460.2428 3800.0 474.378 6200.0 486.3062 2500.0 502.2651 2600.0 513.2698 6400.0 514.301 11000.0 515.2488 5200.0 515.2846 4100.0 543.2805 2900.0 569.295 1500.0 586.3227 8500.0 587.3255 1300.0 587.3536 2700.0 END IONS BEGIN IONS SCANS=6 PEPMASS=614.4624 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1000.0 89.06 2400.0 133.0857 3100.0 177.1119 2100.0 236.1491 1400.0 245.1853 1900.0 344.1965 5500.0 355.1967 1200.0 358.2218 4000.0 370.2578 2500.0 371.2267 1000.0 376.2322 12000.0 415.2537 3700.0 443.2645 3100.0 456.3672 3100.0 474.3781 18000.0 475.3818 1900.0 486.3065 1400.0 514.3021 5100.0 END IONS BEGIN IONS SCANS=7 PEPMASS=614.4614 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 2000.0 71.086 3100.0 85.1016 3100.0 87.0445 2900.0 88.0762 5900.0 89.0601 76000.0 107.0705 1100.0 113.1328 1100.0 117.0911 2900.0 130.086 1300.0 131.0699 1800.0 133.0858 100000.0 161.1171 1100.0 175.0961 2000.0 177.1119 47000.0 178.1151 1600.0 183.2107 2400.0 195.1228 1000.0 221.1377 9900.0 227.2366 1500.0 239.1479 3000.0 265.1639 3600.0 271.2625 5600.0 283.1742 4900.0 309.1898 2500.0 315.2886 3900.0 327.2 6000.0 353.2163 1100.0 371.2266 14000.0 372.2297 2300.0 376.2315 1600.0 415.2528 66000.0 416.256 4400.0 474.3779 2400.0 END IONS BEGIN IONS SCANS=8 PEPMASS=614.4837 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 2000.0 71.086 3100.0 85.1016 3100.0 87.0445 2900.0 88.0762 5900.0 89.0601 76000.0 107.0705 1100.0 113.1328 1100.0 117.0911 2900.0 130.086 1300.0 131.0699 1800.0 133.0858 100000.0 161.1171 1100.0 175.0961 2000.0 177.1119 47000.0 178.1151 1600.0 183.2107 2400.0 195.1228 1000.0 221.1377 9900.0 227.2366 1500.0 239.1479 3000.0 265.1639 3600.0 271.2625 5600.0 283.1742 4900.0 309.1898 2500.0 315.2886 3900.0 327.2 6000.0 353.2163 1100.0 371.2266 14000.0 372.2297 2300.0 376.2315 1600.0 415.2528 66000.0 416.256 4400.0 474.3779 2400.0 END IONS BEGIN IONS SCANS=9 PEPMASS=615.3481 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1300.0 86.097 1500.0 88.076 1700.0 120.0809 2900.0 182.1171 2300.0 197.1281 1800.0 201.1234 1900.0 233.1646 1200.0 244.1284 2800.0 254.149 1900.0 261.1591 2200.0 268.1648 3200.0 272.16 1500.0 330.1798 2000.0 337.1859 1500.0 344.1962 7800.0 348.1913 1200.0 355.1964 2700.0 362.2065 1700.0 367.2333 1100.0 401.2167 1600.0 415.2705 1300.0 419.2287 1500.0 427.2328 6400.0 443.2647 4100.0 445.2432 4800.0 450.2695 2300.0 461.2749 1300.0 468.2804 2000.0 484.2552 1300.0 498.27 3300.0 502.2646 2000.0 514.3007 1000.0 516.2814 1300.0 526.3013 9200.0 527.3054 1200.0 544.3116 3000.0 570.327 2000.0 587.3548 1600.0 END IONS BEGIN IONS SCANS=10 PEPMASS=615.3495 CHARGE=1 COLLISION_ENERGY=0.0 56.1406 2200.0 66.268 2300.0 72.0813 9000.0 74.3215 2400.0 86.0968 27000.0 88.4251 2400.0 100.3734 2300.0 110.2464 2100.0 114.1447 2100.0 114.92 2100.0 116.7259 2100.0 120.0809 19000.0 155.0819 2700.0 155.1179 6900.0 171.1128 7700.0 173.128 5700.0 183.1125 10000.0 185.1285 7800.0 201.1229 10000.0 231.1124 14000.0 233.1648 36000.0 239.1749 4400.0 248.1388 6400.0 249.1227 5000.0 254.1493 19000.0 261.1594 62000.0 267.134 5600.0 268.1649 12000.0 272.1599 8800.0 296.1967 6000.0 310.1756 8000.0 330.1805 31000.0 337.1863 20000.0 338.17 33000.0 344.1964 230000.0 345.2001 10000.0 355.1971 46000.0 358.1752 13000.0 362.2067 14000.0 367.2332 46000.0 370.2122 5900.0 398.2437 7700.0 401.2177 26000.0 415.2333 37000.0 415.2697 52000.0 427.2336 18000.0 443.2644 150000.0 445.2442 27000.0 450.2701 17000.0 451.2544 8900.0 468.2808 13000.0 469.2806 14000.0 486.3065 54000.0 499.2542 10000.0 502.2652 39000.0 514.3015 190000.0 515.3052 20000.0 516.281 26000.0 526.301 27000.0 544.3127 15000.0 552.3173 3200.0 569.3433 4900.0 570.3279 14000.0 587.3543 40000.0 588.3585 6000.0 END IONS BEGIN IONS SCANS=11 PEPMASS=619.344 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 3000.0 86.0966 6600.0 91.5061 1200.0 120.0653 1800.0 120.0807 3800.0 155.1176 2300.0 157.0969 2500.0 159.0763 3200.0 177.0868 1900.0 183.1123 4000.0 231.1128 3100.0 232.1285 2200.0 233.1644 21000.0 234.1678 1100.0 240.1334 2200.0 258.1443 20000.0 259.1477 1300.0 261.1591 24000.0 262.1623 1200.0 276.1547 24000.0 295.1757 2900.0 313.1861 3400.0 330.1803 5600.0 331.1969 4500.0 341.181 8600.0 344.1962 96000.0 345.1994 7300.0 353.2171 2400.0 358.1754 6200.0 359.1914 14000.0 362.2077 1700.0 387.1871 1000.0 401.2174 1900.0 415.1967 2100.0 415.2693 18000.0 436.2538 1800.0 443.2643 49000.0 444.2682 5100.0 454.265 2500.0 461.2741 2000.0 463.2544 1100.0 472.2914 3400.0 478.2651 1100.0 488.2494 4000.0 500.2856 16000.0 506.2599 14000.0 516.2426 3600.0 518.2964 3700.0 520.2756 12000.0 534.2548 11000.0 556.3127 1300.0 573.3373 3300.0 574.3221 2000.0 583.322 5700.0 591.3486 19000.0 592.3508 2700.0 END IONS BEGIN IONS SCANS=12 PEPMASS=620.4368 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 3700.0 87.0445 4700.0 89.0601 29000.0 121.0652 1600.0 131.0703 5100.0 133.0858 50000.0 147.0803 1300.0 165.091 6100.0 167.1065 1400.0 175.0964 4300.0 177.112 28000.0 184.0731 14000.0 191.1062 2700.0 209.1172 4800.0 211.1327 3300.0 221.1381 8000.0 233.1897 5100.0 235.1327 2600.0 239.1488 1400.0 253.1427 1900.0 255.1584 2200.0 259.205 2900.0 265.1641 2900.0 277.2156 26000.0 283.1748 3000.0 303.231 3700.0 309.1906 1300.0 321.2416 11000.0 327.2007 1100.0 359.2059 1400.0 403.231 1600.0 447.258 1500.0 479.4084 2300.0 491.2839 15000.0 492.2878 1500.0 515.3577 1500.0 559.3823 2800.0 END IONS BEGIN IONS 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252.1335 2100.0 270.144 1600.0 286.1755 8400.0 337.2228 2100.0 342.1807 3200.0 365.2172 3300.0 371.2074 1100.0 383.2282 260000.0 384.2317 15000.0 399.202 11000.0 496.2537 1500.0 530.2958 11000.0 END IONS BEGIN IONS SCANS=16 PEPMASS=627.3476 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1300.0 182.1174 1200.0 217.1332 1400.0 229.1544 13000.0 245.1282 3600.0 286.1753 2900.0 383.2283 95000.0 384.2321 5500.0 399.2025 3100.0 530.2965 5000.0 END IONS BEGIN IONS SCANS=17 PEPMASS=628.4772 CHARGE=1 COLLISION_ENERGY=0.0 182.1174 1800.0 390.2475 2000.0 474.3779 4100.0 END IONS BEGIN IONS SCANS=18 PEPMASS=628.4774 CHARGE=1 COLLISION_ENERGY=0.0 182.1173 2100.0 236.1486 2100.0 372.2373 2300.0 390.2477 7400.0 456.3676 1900.0 474.3781 15000.0 475.3812 1300.0 END IONS BEGIN IONS SCANS=19 PEPMASS=628.478 CHARGE=1 COLLISION_ENERGY=0.0 62.61 1900.0 69.8671 2600.0 71.5554 1900.0 74.7467 2100.0 75.9736 2000.0 92.7078 1900.0 113.1866 2000.0 115.6435 2000.0 122.3076 2000.0 128.3308 2200.0 133.0858 2600.0 136.6753 2400.0 152.2245 2000.0 161.9321 2200.0 183.8739 1900.0 188.1114 1800.0 191.9062 1900.0 192.3984 2300.0 213.1024 1900.0 230.5698 1900.0 232.1248 2000.0 236.1489 5000.0 261.6594 2000.0 301.9191 1800.0 309.26 1900.0 309.4373 1900.0 317.1492 2100.0 372.237 12000.0 390.2476 37000.0 393.1263 2100.0 402.3342 1900.0 415.2526 2200.0 418.7449 2100.0 453.4334 2500.0 455.1154 2100.0 456.3675 6600.0 474.3779 60000.0 475.3813 2800.0 508.7093 1900.0 512.9299 1900.0 515.0965 2200.0 528.1649 2400.0 548.5023 2100.0 572.8389 2300.0 END IONS BEGIN IONS SCANS=20 PEPMASS=628.4794 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 4300.0 88.076 3300.0 89.0601 170000.0 90.0636 1200.0 91.0757 1100.0 91.5063 1800.0 107.0704 1000.0 117.0913 2200.0 130.0863 2400.0 131.0701 5400.0 133.0858 270000.0 134.0893 3900.0 175.0964 4000.0 177.1119 130000.0 178.1153 3800.0 195.1227 1700.0 219.1227 1600.0 221.1381 28000.0 222.1415 1500.0 223.1537 1500.0 239.1486 7200.0 265.1643 9700.0 283.1747 9100.0 309.19 4800.0 327.2004 14000.0 328.2033 1400.0 353.2159 2700.0 371.2267 31000.0 372.2295 4800.0 390.2474 2100.0 397.2422 1800.0 415.2528 230000.0 416.256 19000.0 474.377 3300.0 END IONS BEGIN IONS SCANS=21 PEPMASS=628.4785 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 4300.0 88.076 3300.0 89.0601 170000.0 90.0636 1200.0 91.0757 1100.0 91.5063 1800.0 107.0704 1000.0 117.0913 2200.0 130.0863 2400.0 131.0701 5400.0 133.0858 270000.0 134.0893 3900.0 175.0964 4000.0 177.1119 130000.0 178.1153 3800.0 195.1227 1700.0 219.1227 1600.0 221.1381 28000.0 222.1415 1500.0 223.1537 1500.0 239.1486 7200.0 265.1643 9700.0 283.1747 9100.0 309.19 4800.0 327.2004 14000.0 328.2033 1400.0 353.2159 2700.0 371.2267 31000.0 372.2295 4800.0 390.2474 2100.0 397.2422 1800.0 415.2528 230000.0 416.256 19000.0 474.377 3300.0 END IONS BEGIN IONS SCANS=22 PEPMASS=628.4787 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 3000.0 88.0761 1300.0 89.0601 100000.0 107.0705 1200.0 117.0911 1300.0 130.0861 1600.0 131.0698 2900.0 133.0858 160000.0 134.0887 2700.0 175.0961 2800.0 177.1119 76000.0 178.1148 2000.0 221.1381 16000.0 239.1482 3600.0 265.164 4700.0 283.1744 8100.0 309.1904 3200.0 327.2003 9200.0 353.2166 1600.0 371.2266 27000.0 372.2298 4100.0 397.2425 1600.0 415.2529 140000.0 416.2563 11000.0 474.3765 2300.0 END IONS BEGIN IONS SCANS=23 PEPMASS=628.4996 CHARGE=1 COLLISION_ENERGY=0.0 69.8671 1500.0 73.3755 1100.0 84.5075 1200.0 88.5848 1100.0 89.0601 3900.0 99.016 1100.0 127.5517 1100.0 130.3692 1100.0 133.086 4200.0 133.8114 1200.0 151.1976 1100.0 157.2434 1700.0 166.787 1300.0 177.112 2300.0 197.19 1400.0 199.5514 1200.0 236.1491 1800.0 250.6832 1300.0 269.3887 1400.0 285.2791 1100.0 287.0222 1100.0 288.9682 1300.0 329.304 1300.0 337.599 1200.0 350.0741 1100.0 353.3488 1200.0 372.2377 6100.0 384.5461 1200.0 390.2477 14000.0 394.2123 1200.0 402.1813 1100.0 415.2541 2300.0 456.3676 2900.0 467.8945 1400.0 474.3781 33000.0 475.3814 3400.0 486.3031 1400.0 502.3782 1300.0 540.7516 1200.0 545.4016 1700.0 546.404 2000.0 547.4091 2100.0 553.6717 1300.0 575.5263 1100.0 END IONS BEGIN IONS SCANS=24 PEPMASS=628.499 CHARGE=1 COLLISION_ENERGY=0.0 89.06 7300.0 117.0912 1500.0 133.0858 11000.0 177.1122 6900.0 221.1383 1100.0 236.1494 1700.0 371.2269 4700.0 372.2384 2700.0 390.2473 8800.0 415.2529 7300.0 456.3679 2700.0 474.3778 18000.0 475.3825 1400.0 END IONS BEGIN IONS SCANS=25 PEPMASS=628.4996 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 2800.0 89.0601 77000.0 90.0633 1200.0 130.086 1400.0 131.0701 2700.0 133.0857 120000.0 134.0892 1000.0 175.0961 1700.0 177.1118 59000.0 178.1152 2000.0 195.1225 1500.0 221.138 14000.0 239.1483 3300.0 265.1641 3200.0 283.1742 5600.0 309.1905 2200.0 327.1998 6500.0 353.2165 1500.0 371.2265 17000.0 372.2295 2100.0 397.2419 1300.0 415.2528 110000.0 416.2561 7700.0 END IONS BEGIN IONS SCANS=26 PEPMASS=629.3656 CHARGE=1 COLLISION_ENERGY=0.0 56.5014 1300.0 72.0812 2200.0 82.6708 1400.0 86.0968 29000.0 91.5063 3200.0 99.5997 1400.0 120.0807 15000.0 120.083 2100.0 121.8127 1300.0 133.086 1900.0 138.225 1400.0 148.2151 1300.0 155.0813 1900.0 157.1333 1300.0 169.1334 4700.0 185.128 10000.0 187.1435 4000.0 197.1282 8800.0 210.1232 1500.0 215.1395 6500.0 231.1128 7800.0 233.1645 25000.0 236.1488 1600.0 249.123 2300.0 253.154 2400.0 253.1903 2600.0 261.1593 33000.0 268.1652 24000.0 281.1493 8200.0 286.1756 5100.0 316.201 4700.0 323.2072 5800.0 332.1959 3800.0 341.2174 4800.0 344.1963 180000.0 345.1995 13000.0 351.2018 13000.0 352.1861 25000.0 362.2061 13000.0 369.2126 29000.0 381.2489 25000.0 390.2474 9200.0 415.2333 39000.0 427.2328 17000.0 429.2853 30000.0 433.2433 5800.0 443.228 5100.0 445.2439 26000.0 457.2801 76000.0 458.2838 8500.0 474.378 15000.0 483.2955 7700.0 498.2702 12000.0 499.2549 8500.0 500.3221 35000.0 516.2808 53000.0 517.2848 6500.0 528.3171 100000.0 529.3205 14000.0 540.3165 14000.0 558.3265 7600.0 566.333 2800.0 583.1934 1400.0 583.3601 1400.0 584.3436 6700.0 585.3365 1800.0 601.3693 29000.0 END IONS BEGIN IONS SCANS=27 PEPMASS=632.3188 CHARGE=1 COLLISION_ENERGY=0.0 53.4913 6800.0 72.0813 69000.0 80.7206 11000.0 86.0969 2500000.0 87.1 32000.0 92.0295 9500.0 112.5849 6000.0 120.0809 250000.0 121.0845 8300.0 150.8446 6400.0 155.1176 29000.0 162.0912 24000.0 183.1118 13000.0 190.086 56000.0 216.0746 7000.0 231.1124 340000.0 232.1159 14000.0 233.1644 79000.0 234.168 7000.0 245.9466 6700.0 261.1593 21000.0 267.8619 7600.0 274.9978 6200.0 275.1748 97000.0 302.1855 75000.0 303.1699 3000000.0 304.1729 160000.0 330.18 49000.0 344.1964 3300000.0 345.1996 220000.0 368.2716 7100.0 375.8141 5900.0 389.9558 7600.0 394.1517 7300.0 415.2694 45000.0 416.2733 9600.0 421.2914 6500.0 422.2432 36000.0 430.9247 6700.0 443.2648 29000.0 450.2382 120000.0 451.2408 20000.0 498.8456 7400.0 515.2639 56000.0 519.6368 8000.0 525.068 6400.0 533.2748 1300000.0 534.278 200000.0 552.4839 6100.0 586.3387 11000.0 604.3479 120000.0 605.351 21000.0 END IONS BEGIN IONS SCANS=28 PEPMASS=632.3423 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 10000.0 72.3546 1700.0 80.6765 1700.0 86.0968 400000.0 87.1002 5000.0 99.4341 1800.0 101.552 1500.0 103.6432 1500.0 108.7736 1700.0 118.8837 1700.0 120.0809 42000.0 148.3773 1700.0 155.1177 1600.0 162.0916 2000.0 181.7518 2000.0 183.1125 1500.0 190.0857 9800.0 213.5603 1600.0 217.6543 1600.0 231.1125 47000.0 232.1158 2200.0 233.165 7500.0 246.2984 1700.0 256.7269 1700.0 261.1592 5700.0 261.9099 1900.0 275.1746 16000.0 276.1788 2100.0 285.1608 1700.0 303.1699 500000.0 304.1735 34000.0 320.2747 2000.0 330.1807 8400.0 344.1964 560000.0 345.1993 37000.0 408.7984 1900.0 415.2702 2100.0 422.243 6900.0 443.2637 3600.0 447.0914 1700.0 450.2379 29000.0 455.2245 2000.0 499.0807 1700.0 510.3605 2000.0 515.265 6200.0 517.6729 1600.0 532.2587 2000.0 533.2747 230000.0 534.2781 30000.0 604.347 2500.0 606.6147 1900.0 663.8265 1700.0 END IONS BEGIN IONS SCANS=29 PEPMASS=632.3428 CHARGE=1 COLLISION_ENERGY=0.0 72.0815 7700.0 80.6766 2100.0 80.7206 1300.0 86.0968 400000.0 87.1004 2300.0 92.0295 1600.0 107.2148 1100.0 120.0809 41000.0 133.7829 1000.0 133.8658 1200.0 145.956 1200.0 155.1178 3300.0 156.1451 1100.0 157.96 1100.0 162.0913 3700.0 183.1131 2400.0 190.086 8300.0 208.4316 1100.0 229.3658 1100.0 231.1127 53000.0 232.1161 3300.0 233.1645 10000.0 235.0343 1100.0 261.1597 4500.0 275.1752 13000.0 279.6229 1200.0 293.5752 1200.0 302.1864 3700.0 303.17 480000.0 304.173 25000.0 330.1804 8700.0 344.1964 540000.0 345.1995 37000.0 381.9097 1200.0 382.2297 1200.0 388.6854 1700.0 394.6287 1600.0 397.1718 1200.0 408.5268 1400.0 415.2698 3200.0 422.2426 6300.0 443.2648 5900.0 450.238 20000.0 451.2414 3200.0 487.2687 1100.0 489.6713 1100.0 506.9454 1600.0 507.4271 1400.0 515.2644 10000.0 533.2749 210000.0 534.2783 27000.0 604.3481 2500.0 END IONS BEGIN IONS SCANS=30 PEPMASS=632.3436 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1600.0 86.0968 71000.0 120.0808 6900.0 182.1171 1300.0 190.0866 1700.0 231.1125 9300.0 233.1642 2500.0 261.1591 3200.0 272.1598 2700.0 275.1742 2300.0 303.1698 91000.0 304.173 4900.0 330.1799 2800.0 344.1963 99000.0 345.1998 6100.0 362.2062 1700.0 367.2338 1400.0 415.2698 2000.0 419.2267 1100.0 433.2801 1900.0 443.2641 9000.0 450.2378 4300.0 461.2743 2700.0 504.3166 1200.0 514.3006 3800.0 515.2634 1500.0 532.3126 3400.0 533.2748 39000.0 534.2781 5100.0 END IONS BEGIN IONS SCANS=31 PEPMASS=632.3431 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 8300.0 86.0968 120000.0 87.1003 1100.0 120.0809 12000.0 155.1179 1500.0 162.0913 1300.0 190.0857 2500.0 231.1125 17000.0 233.1644 3500.0 261.1592 2100.0 275.1747 5000.0 303.1699 160000.0 304.1729 9300.0 330.1806 2100.0 343.1641 1900.0 344.1963 170000.0 345.1996 13000.0 361.1744 1600.0 422.2431 1800.0 442.2321 5300.0 443.2644 1600.0 450.2378 8900.0 460.243 2300.0 515.2646 2900.0 533.2748 74000.0 534.2781 11000.0 604.3486 1000.0 END IONS BEGIN IONS SCANS=32 PEPMASS=632.3439 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3600.0 86.0968 140000.0 87.1003 1700.0 89.0601 1700.0 120.0808 17000.0 133.086 1800.0 155.1176 1500.0 162.0911 1700.0 177.1121 1300.0 184.073 2700.0 190.0858 2600.0 231.1123 18000.0 233.1645 3900.0 261.1595 2000.0 275.1747 4700.0 302.1858 5300.0 303.1699 190000.0 304.1731 8000.0 330.1807 3400.0 344.1963 150000.0 345.1996 9900.0 415.2688 3000.0 422.2432 2700.0 443.2644 1400.0 450.2374 7800.0 451.2411 1200.0 491.3725 2800.0 515.2639 3400.0 533.2747 80000.0 534.2778 11000.0 604.3476 7800.0 END IONS BEGIN IONS SCANS=33 PEPMASS=633.361 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1700.0 86.0966 7000.0 120.0655 1800.0 120.0806 2500.0 143.1177 1000.0 155.1177 1700.0 171.113 6500.0 173.0916 2500.0 183.1121 3000.0 191.1027 2700.0 231.1125 3000.0 233.1645 12000.0 246.1443 1400.0 254.1494 3600.0 261.1593 18000.0 262.1623 1700.0 268.1643 1100.0 272.1602 8600.0 290.1704 12000.0 328.1856 3200.0 330.1805 6200.0 337.1862 2600.0 344.1963 100000.0 345.1993 7500.0 345.2128 3600.0 355.1967 9800.0 358.175 5300.0 362.2065 3800.0 367.2332 3700.0 373.2074 17000.0 385.2437 1800.0 401.2178 4000.0 415.2336 3200.0 415.2692 19000.0 429.2135 2600.0 443.2645 67000.0 444.2672 7800.0 450.27 3700.0 461.2746 2100.0 463.2544 3600.0 468.2809 5400.0 469.2801 1500.0 486.3068 7300.0 514.3017 30000.0 515.3052 4800.0 520.2755 9000.0 532.3114 11000.0 534.2913 16000.0 548.2703 14000.0 562.3211 3100.0 570.3261 1900.0 587.3533 3600.0 588.3366 3400.0 597.3389 6700.0 605.3646 26000.0 606.3677 3800.0 END IONS BEGIN IONS SCANS=34 PEPMASS=633.3605 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 86.0969 2800.0 120.0808 1700.0 171.1129 2700.0 173.0918 2000.0 183.1124 2200.0 191.1026 1300.0 231.1124 2200.0 233.1646 7700.0 246.1449 1100.0 254.1493 2600.0 261.1592 9400.0 272.16 3400.0 290.1704 4300.0 309.1918 1500.0 330.1807 3000.0 337.1862 1900.0 344.1962 40000.0 345.1999 2600.0 345.2127 2300.0 355.197 5100.0 358.1753 3300.0 362.2069 1500.0 367.2334 3400.0 373.2074 11000.0 401.2183 1300.0 415.2327 2700.0 415.2693 9800.0 419.2286 1100.0 443.2646 30000.0 444.2679 3700.0 450.2707 2100.0 461.2748 1400.0 463.2546 1800.0 468.2809 2700.0 469.2812 1300.0 486.3068 5700.0 514.3015 25000.0 515.3044 3100.0 520.2758 5100.0 532.312 6200.0 534.2911 6700.0 548.2701 5800.0 562.3218 1500.0 570.3289 1100.0 587.3542 1900.0 588.3379 1300.0 597.3376 4400.0 605.3647 14000.0 606.3684 2300.0 END IONS BEGIN IONS SCANS=35 PEPMASS=633.3598 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6700.0 120.0806 4300.0 171.112 5200.0 173.0914 5000.0 173.1281 4500.0 183.1125 1600.0 185.1282 2300.0 201.1234 13000.0 227.1386 1300.0 231.1127 3100.0 233.1646 7600.0 239.1753 1300.0 249.1225 2500.0 254.1491 3400.0 261.1589 22000.0 262.1622 1500.0 272.1597 27000.0 284.1963 2400.0 287.175 1400.0 314.2066 2300.0 330.1804 9700.0 332.1959 4500.0 344.196 40000.0 345.1996 2200.0 348.1906 4000.0 362.2063 23000.0 367.2333 16000.0 373.2072 7000.0 385.2437 12000.0 386.2442 2800.0 389.2535 3900.0 415.233 14000.0 415.2692 18000.0 419.2279 11000.0 433.2798 21000.0 443.2642 72000.0 444.2675 9700.0 461.2747 30000.0 462.2787 3500.0 469.2797 5800.0 486.3059 7000.0 487.2906 9000.0 488.2858 3600.0 504.3171 20000.0 514.3011 38000.0 515.3038 4700.0 520.2752 2700.0 532.3117 32000.0 533.3161 3000.0 597.3373 2400.0 END IONS BEGIN IONS SCANS=36 PEPMASS=633.3601 CHARGE=1 COLLISION_ENERGY=0.0 52.6892 6600.0 72.0813 15000.0 76.3485 7400.0 86.0951 12000.0 86.0968 120000.0 95.8436 6800.0 102.8877 6100.0 120.0811 31000.0 127.5647 6600.0 130.5518 6100.0 137.8251 6700.0 149.9851 6200.0 155.1174 10000.0 171.1126 27000.0 173.0913 18000.0 173.43 6700.0 183.1127 30000.0 191.1027 13000.0 231.1119 34000.0 233.1648 73000.0 246.1449 9200.0 248.1386 10000.0 254.1497 35000.0 261.1593 110000.0 272.1596 45000.0 275.1755 8400.0 290.17 45000.0 296.1959 20000.0 303.1696 100000.0 304.1731 26000.0 330.1809 39000.0 344.1962 600000.0 345.2 84000.0 345.2127 22000.0 355.1967 47000.0 358.1758 27000.0 362.2068 14000.0 367.2332 36000.0 373.2069 110000.0 398.2421 10000.0 401.2173 25000.0 415.2326 29000.0 415.2698 130000.0 416.2734 19000.0 443.2644 280000.0 444.2682 34000.0 450.2698 24000.0 461.275 18000.0 463.2547 20000.0 468.2815 34000.0 486.3065 67000.0 487.2914 16000.0 514.3013 280000.0 520.276 47000.0 532.3124 60000.0 533.2754 51000.0 534.2928 67000.0 548.27 96000.0 562.3232 19000.0 570.3284 11000.0 571.3215 11000.0 587.3547 22000.0 597.3381 47000.0 598.3429 11000.0 605.3645 130000.0 606.3679 21000.0 END IONS BEGIN IONS SCANS=37 PEPMASS=633.3609 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3000.0 86.0951 1200.0 86.0968 12000.0 91.506 1300.0 120.0808 3700.0 155.1176 1600.0 171.1122 3800.0 173.0916 2700.0 183.1124 3100.0 191.1023 2000.0 231.1126 3300.0 233.1647 8100.0 254.1488 3000.0 261.159 12000.0 268.1647 1100.0 272.1597 5300.0 284.1964 1100.0 290.1705 5700.0 303.1698 8800.0 330.1803 5000.0 337.1856 2900.0 344.196 62000.0 345.1995 6200.0 345.2125 3500.0 355.1968 7100.0 358.1748 3400.0 362.2068 2400.0 367.2335 4300.0 373.2073 10000.0 398.2434 1200.0 401.2176 2700.0 415.2332 3300.0 415.2693 16000.0 433.243 1300.0 443.2642 36000.0 444.2672 3700.0 450.2701 3400.0 461.2754 1700.0 463.2542 2400.0 468.2806 2900.0 486.3063 8500.0 487.2909 1100.0 514.3013 34000.0 515.3052 3200.0 520.275 5400.0 532.3112 8700.0 534.2926 8200.0 548.27 8400.0 562.3231 2500.0 587.3537 3200.0 588.3387 1700.0 597.339 6600.0 605.3641 18000.0 606.3677 3000.0 END IONS BEGIN IONS SCANS=38 PEPMASS=633.4537 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7300.0 120.0808 1800.0 184.073 5100.0 302.1857 1400.0 303.1697 8500.0 304.1732 2100.0 308.1383 2700.0 344.1961 8500.0 345.2 3500.0 491.3731 2500.0 492.3757 1900.0 533.2744 3000.0 534.2775 2700.0 END IONS BEGIN IONS SCANS=39 PEPMASS=634.3929 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2800.0 169.1335 9600.0 185.1649 1300.0 197.1283 21000.0 213.1597 6000.0 226.1183 52000.0 227.1219 1500.0 296.1969 1500.0 310.212 19000.0 311.2156 1100.0 381.2855 9000.0 409.2801 24000.0 410.2835 2100.0 422.239 26000.0 423.2422 2200.0 535.3234 1000.0 END IONS BEGIN IONS SCANS=40 PEPMASS=634.3931 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 2500.0 169.1333 8700.0 185.1646 1400.0 197.1284 20000.0 213.1597 4700.0 226.1184 41000.0 227.1216 1100.0 296.1964 1500.0 310.2119 18000.0 311.2158 1200.0 381.2852 9700.0 409.2801 20000.0 410.2837 1700.0 422.239 25000.0 423.2421 1800.0 535.3228 1200.0 END IONS BEGIN IONS SCANS=41 PEPMASS=634.4522 CHARGE=1 COLLISION_ENERGY=0.0 57.0704 1600.0 71.086 5900.0 85.1017 5000.0 87.0445 5800.0 89.0601 40000.0 91.5079 1400.0 121.0648 1200.0 131.0702 5300.0 133.0858 58000.0 134.0891 1100.0 147.0808 1700.0 165.0908 5200.0 167.1069 1400.0 175.0962 5200.0 177.1119 27000.0 184.0732 10000.0 191.1057 2300.0 209.1172 4800.0 211.1327 2500.0 221.1381 7000.0 235.1326 2200.0 239.1484 1500.0 247.2052 7100.0 255.1585 2000.0 265.1635 2300.0 273.2208 3400.0 283.1743 2900.0 291.231 27000.0 292.2343 1800.0 309.1907 1300.0 317.2463 2800.0 335.2572 11000.0 403.2319 1300.0 447.2588 1300.0 491.2841 9100.0 492.2882 1200.0 492.3752 6900.0 493.3898 6000.0 493.4237 4800.0 494.3919 1300.0 529.3724 1300.0 573.3983 1700.0 END IONS BEGIN IONS SCANS=42 PEPMASS=636.3389 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 END IONS BEGIN IONS SCANS=43 PEPMASS=636.3391 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 END IONS BEGIN IONS SCANS=44 PEPMASS=636.3392 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 END IONS BEGIN IONS SCANS=45 PEPMASS=636.3393 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 END IONS BEGIN IONS SCANS=46 PEPMASS=636.4234 CHARGE=1 COLLISION_ENERGY=0.0 81.0702 1100.0 95.0857 1500.0 133.086 1100.0 147.1166 1300.0 165.127 1400.0 183.1377 1900.0 184.0731 7900.0 201.1488 1400.0 208.1701 1800.0 226.1804 3300.0 239.2367 2500.0 257.174 3000.0 306.1456 3200.0 313.2731 3000.0 324.1568 1200.0 337.1407 1000.0 362.1715 2600.0 380.1824 7400.0 495.4034 270000.0 495.44 13000.0 496.4066 32000.0 496.4426 1500.0 549.3742 1600.0 END IONS BEGIN IONS SCANS=47 PEPMASS=637.33 CHARGE=1 COLLISION_ENERGY=0.0 508.2882 1400.0 END IONS BEGIN IONS SCANS=48 PEPMASS=637.3298 CHARGE=1 COLLISION_ENERGY=0.0 508.2883 1700.0 536.2831 1500.0 545.2819 1300.0 END IONS BEGIN IONS SCANS=49 PEPMASS=640.4775 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1200.0 337.2727 3600.0 368.1598 2400.0 369.1635 1400.0 384.2368 1700.0 402.2476 4600.0 456.3665 1200.0 474.3779 7200.0 538.2925 1100.0 556.3026 2700.0 END IONS BEGIN IONS SCANS=50 PEPMASS=640.478 CHARGE=1 COLLISION_ENERGY=0.0 71.2004 2400.0 72.1911 1700.0 75.2505 1600.0 91.5062 4000.0 94.7267 1600.0 99.1587 1800.0 113.3143 1500.0 114.5453 1500.0 114.7214 1700.0 118.2187 1600.0 143.7209 1800.0 146.4247 1600.0 160.2435 2700.0 171.2816 1600.0 176.8745 1600.0 183.7225 1700.0 188.4738 1900.0 188.8591 1600.0 202.716 1500.0 203.0769 1500.0 213.5742 1700.0 216.8376 1900.0 236.1493 5500.0 239.4768 1600.0 330.8554 1900.0 348.915 1700.0 363.5516 1900.0 384.236 8400.0 402.248 26000.0 403.2522 2400.0 408.4736 1800.0 456.3688 4200.0 458.7256 1600.0 469.7555 1900.0 474.3782 34000.0 475.3814 3000.0 569.186 2100.0 587.3431 2200.0 588.2084 1800.0 593.3725 2200.0 661.5648 2100.0 END IONS BEGIN IONS SCANS=51 PEPMASS=646.36 CHARGE=1 COLLISION_ENERGY=0.0 72.0815 2500.0 86.0968 230000.0 87.1002 2200.0 120.0775 1100.0 120.0809 16000.0 162.0909 1300.0 169.1326 1000.0 176.1071 2400.0 184.0731 2600.0 204.1016 11000.0 231.1124 25000.0 232.1163 1400.0 233.1645 5600.0 261.1589 3000.0 275.1744 3600.0 289.1902 4700.0 303.1698 94000.0 304.1729 4600.0 317.1855 140000.0 318.1892 5700.0 344.1964 360000.0 345.1994 22000.0 415.269 5500.0 429.2852 2100.0 436.2575 2500.0 443.2657 1800.0 450.2377 4700.0 464.2532 7500.0 515.2638 2100.0 529.28 2300.0 533.2747 45000.0 534.2776 5600.0 547.2903 52000.0 548.294 6200.0 572.4135 1200.0 618.3641 12000.0 619.3667 2500.0 END IONS BEGIN IONS SCANS=52 PEPMASS=647.3408 CHARGE=1 COLLISION_ENERGY=0.0 88.0761 2100.0 89.0601 1700.0 91.508 1500.0 133.0857 2200.0 177.112 1100.0 184.0734 3100.0 344.1955 1100.0 521.5113 1100.0 523.4194 4100.0 568.4772 13000.0 END IONS BEGIN IONS SCANS=53 PEPMASS=647.3753 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1400.0 120.081 1100.0 171.1125 1200.0 261.1593 2700.0 272.1595 2600.0 330.1807 1500.0 344.1957 8000.0 348.191 1000.0 362.2062 3900.0 367.2325 1600.0 385.2434 2700.0 389.2541 1100.0 415.2331 2800.0 415.2693 2400.0 419.2282 1400.0 433.2441 1700.0 433.28 2000.0 443.2645 9400.0 461.2753 3600.0 487.2904 1100.0 504.3174 2900.0 514.3015 4600.0 532.3115 3800.0 END IONS BEGIN IONS SCANS=54 PEPMASS=650.3539 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 20000.0 74.221 5900.0 81.4893 4800.0 82.9732 5100.0 86.0968 460000.0 87.1001 5900.0 102.3834 3500.0 112.7068 3900.0 120.0808 100000.0 145.5442 4100.0 155.1178 4900.0 162.0903 6000.0 179.197 4700.0 183.8957 4000.0 190.0858 7200.0 201.1227 4300.0 203.0609 4600.0 221.1276 14000.0 231.1124 81000.0 233.1644 21000.0 249.1227 33000.0 261.1593 30000.0 275.1747 30000.0 275.8287 4200.0 276.1696 9700.0 303.1699 1200000.0 304.1731 57000.0 318.1806 26000.0 330.1807 28000.0 344.1963 820000.0 345.2 47000.0 362.2064 54000.0 385.4682 4300.0 389.2533 12000.0 415.2688 9500.0 422.2431 49000.0 433.2798 8600.0 443.2639 28000.0 450.2379 420000.0 451.2411 42000.0 462.0992 4600.0 505.2801 13000.0 507.2593 84000.0 508.2621 11000.0 523.2905 16000.0 533.2747 770000.0 534.2783 95000.0 551.2848 130000.0 552.2866 7400.0 604.3487 15000.0 614.3309 6800.0 END IONS BEGIN IONS SCANS=55 PEPMASS=650.3543 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1100.0 86.0968 44000.0 91.508 1200.0 120.0807 9200.0 184.0729 3200.0 190.0857 1200.0 231.1124 7900.0 233.1647 1400.0 249.1227 2900.0 261.1592 2700.0 275.1747 2500.0 303.1698 110000.0 304.1734 4700.0 330.1805 2300.0 344.1963 53000.0 345.1992 2700.0 348.1917 2400.0 355.0694 1300.0 359.028 2000.0 362.2061 3600.0 422.2428 4700.0 429.0876 3100.0 443.264 1200.0 450.2377 32000.0 451.2416 3000.0 505.28 1100.0 507.2596 5600.0 508.2625 1100.0 515.2648 1200.0 533.2748 65000.0 534.2777 7800.0 551.2852 12000.0 552.2886 1200.0 563.3906 2600.0 604.3481 1600.0 END IONS BEGIN IONS SCANS=56 PEPMASS=651.3719 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 191.1026 1200.0 201.1237 1600.0 233.1645 1300.0 239.0946 1300.0 261.1592 5000.0 272.1599 2800.0 330.1809 1300.0 344.1963 13000.0 355.0695 2500.0 359.0275 4000.0 362.2067 7700.0 373.2073 2600.0 385.2432 1500.0 391.2182 1900.0 415.2697 4600.0 417.2493 1600.0 429.0878 4600.0 433.2805 5800.0 443.2646 26000.0 444.2679 3000.0 461.2747 9600.0 462.2779 1100.0 504.3175 2600.0 514.3008 4200.0 532.3122 4600.0 538.2852 1100.0 END IONS BEGIN IONS SCANS=57 PEPMASS=651.3712 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1300.0 191.1026 1200.0 201.1238 1700.0 233.1644 1400.0 239.0947 1200.0 261.159 3900.0 272.1599 2700.0 344.1962 7500.0 355.0689 2500.0 359.028 3600.0 362.2062 4200.0 373.2078 1700.0 389.254 1400.0 391.2177 2300.0 415.2333 1900.0 415.2694 3500.0 429.0878 5000.0 433.2803 4600.0 443.2644 15000.0 444.269 1500.0 461.2749 6500.0 487.2903 1300.0 504.317 1900.0 514.3008 3700.0 532.3115 3400.0 END IONS BEGIN IONS SCANS=58 PEPMASS=652.4122 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1600.0 89.0602 4000.0 133.0858 4600.0 169.1336 3300.0 177.1123 3000.0 197.1283 4900.0 213.1592 2000.0 244.1289 70000.0 245.1319 1900.0 310.2119 7300.0 359.028 1700.0 360.0279 1200.0 381.2852 3300.0 409.2802 8800.0 429.0885 1200.0 430.0884 1200.0 440.2498 25000.0 441.2533 1800.0 END IONS BEGIN IONS SCANS=59 PEPMASS=652.4041 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1600.0 89.0602 4000.0 133.0858 4600.0 169.1336 3300.0 177.1123 3000.0 197.1283 4900.0 213.1592 2000.0 244.1289 70000.0 245.1319 1900.0 310.2119 7300.0 359.028 1700.0 360.0279 1200.0 381.2852 3300.0 409.2802 8800.0 429.0885 1200.0 430.0884 1200.0 440.2498 25000.0 441.2533 1800.0 END IONS BEGIN IONS SCANS=60 PEPMASS=654.4937 CHARGE=1 COLLISION_ENERGY=0.0 184.0735 1300.0 338.2658 8600.0 339.2699 2200.0 390.248 4200.0 416.2636 3500.0 456.3683 1000.0 474.3779 5400.0 500.393 4000.0 512.402 2300.0 513.4047 1500.0 END IONS BEGIN IONS SCANS=61 PEPMASS=655.3815 CHARGE=1 COLLISION_ENERGY=0.0 126.1276 3000.0 184.0732 1100.0 236.1491 1000.0 273.1955 14000.0 274.1996 1100.0 301.1904 17000.0 302.1945 1400.0 338.1708 1000.0 344.1961 1900.0 355.1968 1700.0 384.2273 31000.0 385.2307 2400.0 390.2469 1600.0 402.2379 4600.0 415.2701 1100.0 416.263 2000.0 443.2643 4200.0 455.3007 6500.0 473.3113 1600.0 474.3775 3700.0 483.2956 23000.0 484.2986 3300.0 485.2746 4000.0 500.3937 2200.0 501.3059 3700.0 514.3024 1700.0 542.296 2100.0 554.3326 3500.0 556.3122 3800.0 556.3466 2000.0 584.3423 3000.0 627.3853 3100.0 END IONS BEGIN IONS SCANS=62 PEPMASS=657.3598 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2300.0 120.0809 17000.0 128.1066 1000.0 156.1016 1700.0 171.1124 1400.0 183.1125 1600.0 201.1233 5000.0 221.1283 2800.0 231.1126 19000.0 232.1159 1200.0 254.1492 2900.0 267.1331 1700.0 272.1595 1100.0 302.186 1800.0 303.1697 17000.0 330.1804 11000.0 332.1599 2500.0 337.1859 2800.0 338.1703 2900.0 355.197 11000.0 360.1908 7500.0 376.2224 4500.0 383.1919 1800.0 386.2067 150000.0 387.2103 13000.0 401.2178 6200.0 403.1977 1400.0 404.2171 17000.0 405.2202 1800.0 413.2177 2300.0 431.2284 4100.0 457.2798 7700.0 474.2705 2400.0 484.2545 4000.0 485.2751 62000.0 486.2783 7400.0 487.254 4800.0 502.2649 15000.0 503.268 1200.0 503.2862 2000.0 556.3116 6400.0 557.3156 1100.0 558.291 1100.0 629.364 2300.0 END IONS BEGIN IONS SCANS=63 PEPMASS=657.3593 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1800.0 86.0968 16000.0 171.1126 1500.0 173.1279 1200.0 190.0857 1500.0 197.1284 7600.0 201.1232 3000.0 215.1394 1100.0 254.1493 1700.0 267.1335 1200.0 296.1964 4900.0 298.1759 1100.0 303.1699 19000.0 304.1736 1200.0 337.1861 1700.0 338.1701 2000.0 355.1967 8600.0 360.191 4200.0 367.2332 2900.0 376.2223 2100.0 386.2068 100000.0 387.2102 7900.0 404.217 15000.0 405.22 1100.0 431.2647 1100.0 440.287 1000.0 450.2704 2200.0 457.2804 6100.0 468.2808 7600.0 485.275 50000.0 486.2787 4900.0 487.2544 3300.0 503.2859 2300.0 556.3118 7200.0 END IONS BEGIN IONS SCANS=64 PEPMASS=657.3589 CHARGE=1 COLLISION_ENERGY=0.0 68.6853 1900.0 72.0812 12000.0 74.0604 3200.0 75.6376 2200.0 86.0966 6100.0 91.5082 5900.0 104.4872 2300.0 107.8763 2300.0 120.0775 4100.0 120.0807 100000.0 125.6439 2100.0 128.1069 7300.0 155.1171 2500.0 156.101 9900.0 165.1019 3800.0 171.1125 12000.0 173.1281 7600.0 183.1124 7600.0 201.1231 20000.0 221.1285 21000.0 231.1125 87000.0 232.116 4000.0 248.1385 3200.0 249.1229 8400.0 254.1494 12000.0 266.1494 3400.0 267.1332 7800.0 272.1597 6200.0 282.1444 3500.0 285.1591 3800.0 302.1857 8300.0 303.1697 130000.0 330.1803 68000.0 332.1596 14000.0 337.1863 13000.0 338.1696 12000.0 355.1966 71000.0 358.2122 15000.0 360.1908 43000.0 376.2223 21000.0 386.2066 870000.0 387.2102 61000.0 401.2177 38000.0 403.2337 9900.0 404.2172 120000.0 405.2207 7900.0 413.218 13000.0 431.2279 18000.0 457.2798 49000.0 459.2597 12000.0 484.2544 22000.0 485.275 430000.0 486.2783 48000.0 487.2541 24000.0 502.2648 100000.0 502.3022 3200.0 503.2673 10000.0 503.2856 21000.0 505.1018 2100.0 556.3115 52000.0 557.314 5800.0 558.2901 3900.0 568.3129 2500.0 586.3232 5500.0 629.3638 10000.0 END IONS BEGIN IONS SCANS=65 PEPMASS=657.3599 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 13000.0 72.0823 1900.0 75.0274 1200.0 79.4117 1200.0 82.6439 1300.0 86.0968 110000.0 107.8764 2000.0 120.0802 5200.0 120.6697 1100.0 133.8357 1200.0 139.0864 2000.0 140.7757 1300.0 162.0909 5900.0 171.1129 9500.0 173.1284 6800.0 183.1124 11000.0 190.0859 15000.0 197.1283 47000.0 201.1232 13000.0 211.1079 2200.0 215.1392 3900.0 227.1389 2300.0 228.134 2400.0 239.1381 2100.0 254.1492 9800.0 267.1334 11000.0 272.16 4800.0 275.1743 5700.0 296.1963 44000.0 298.1752 5800.0 303.1696 94000.0 304.1736 6100.0 309.1913 4600.0 310.175 6700.0 337.1858 14000.0 338.17 22000.0 355.1966 59000.0 360.1909 8900.0 367.2332 27000.0 383.1914 8400.0 386.2065 820000.0 387.21 65000.0 403.2332 4200.0 404.2172 46000.0 405.221 3200.0 431.2624 1500.0 440.2858 5400.0 450.271 6100.0 457.2796 47000.0 468.2807 49000.0 485.2749 450000.0 486.2784 52000.0 487.2537 31000.0 502.2652 1600.0 502.3012 2100.0 503.2842 8500.0 504.2882 1600.0 528.3165 1800.0 556.3115 55000.0 557.3149 7300.0 558.2912 6900.0 558.3262 3400.0 568.311 1400.0 586.321 8600.0 608.2303 1500.0 629.3632 6900.0 END IONS BEGIN IONS SCANS=66 PEPMASS=657.3603 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 1100.0 86.0965 4200.0 120.0803 1500.0 197.1281 2200.0 201.1225 1000.0 296.1965 2500.0 303.1699 5500.0 330.1805 1100.0 355.1968 4000.0 367.2326 1000.0 376.2217 1000.0 386.2065 46000.0 387.2103 3300.0 404.2173 4000.0 429.2857 4300.0 430.2887 2000.0 457.28 3100.0 468.2805 2700.0 474.3775 1500.0 485.2746 25000.0 486.2777 3500.0 487.2533 1600.0 556.3115 3100.0 630.226 1300.0 END IONS BEGIN IONS SCANS=67 PEPMASS=657.3594 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 1100.0 86.0965 4200.0 120.0803 1500.0 197.1281 2200.0 201.1225 1000.0 296.1965 2500.0 303.1699 5500.0 330.1805 1100.0 355.1968 4000.0 367.2326 1000.0 376.2217 1000.0 386.2065 46000.0 387.2103 3300.0 404.2173 4000.0 429.2857 4300.0 430.2887 2000.0 457.28 3100.0 468.2805 2700.0 474.3775 1500.0 485.2746 25000.0 486.2777 3500.0 487.2533 1600.0 556.3115 3100.0 630.226 1300.0 END IONS BEGIN IONS SCANS=68 PEPMASS=658.5101 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 2200.0 87.0445 3600.0 89.0601 81000.0 117.0911 4300.0 131.0704 3500.0 133.0858 120000.0 134.0894 1400.0 175.0965 2600.0 175.1323 1200.0 177.1118 61000.0 184.0732 1600.0 221.1382 14000.0 239.1487 3600.0 265.164 4700.0 282.2785 1400.0 283.1743 5600.0 283.2819 1100.0 309.1893 3200.0 327.2004 4200.0 353.2159 2700.0 371.2267 5900.0 415.2526 16000.0 416.2556 3100.0 459.279 87000.0 460.282 7100.0 517.3856 2300.0 615.3621 1400.0 621.5994 1100.0 END IONS BEGIN IONS SCANS=69 PEPMASS=659.2703 CHARGE=1 COLLISION_ENERGY=0.0 75.0445 1200.0 93.055 5600.0 106.0654 14000.0 132.0441 1300.0 150.0551 2000.0 199.123 1200.0 224.0916 4400.0 225.102 46000.0 226.1055 1700.0 243.1124 1100.0 299.1379 1800.0 317.1489 15000.0 318.1529 1000.0 343.1279 4000.0 475.1757 2900.0 493.1858 7400.0 541.2437 2200.0 549.21 1100.0 567.2223 15000.0 568.2259 1500.0 END IONS BEGIN IONS SCANS=70 PEPMASS=659.2701 CHARGE=1 COLLISION_ENERGY=0.0 75.0445 1200.0 93.055 5600.0 106.0654 14000.0 132.0441 1300.0 150.0551 2000.0 199.123 1200.0 224.0916 4400.0 225.102 46000.0 226.1055 1700.0 243.1124 1100.0 299.1379 1800.0 317.1489 15000.0 318.1529 1000.0 343.1279 4000.0 475.1757 2900.0 493.1858 7400.0 541.2437 2200.0 549.21 1100.0 567.2223 15000.0 568.2259 1500.0 END IONS BEGIN IONS SCANS=71 PEPMASS=661.3325 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1100.0 106.0654 1100.0 217.1333 2300.0 235.1436 1400.0 245.128 9200.0 254.1494 2400.0 263.1386 1500.0 360.1906 1300.0 371.2066 2200.0 386.206 2100.0 389.2176 3000.0 399.2017 14000.0 400.2053 1400.0 408.191 1200.0 417.2128 5300.0 498.2713 2100.0 562.2644 1100.0 633.338 4900.0 END IONS BEGIN IONS SCANS=72 PEPMASS=664.4626 CHARGE=1 COLLISION_ENERGY=0.0 57.0705 3000.0 87.0445 3600.0 89.0601 14000.0 121.065 1000.0 131.0701 3000.0 133.0859 23000.0 165.0909 3000.0 175.0965 3200.0 177.112 14000.0 184.073 4500.0 191.1064 1500.0 209.1172 1400.0 211.133 1500.0 221.1377 3700.0 233.1898 2500.0 235.1327 1600.0 253.143 1100.0 255.1587 1400.0 259.205 2300.0 265.165 1700.0 277.2156 13000.0 283.1744 1200.0 303.2312 1700.0 309.1909 1200.0 321.2417 5400.0 522.4229 4200.0 522.4572 1600.0 523.4262 1400.0 523.4719 6300.0 524.4742 1100.0 535.3109 5500.0 576.394 1400.0 603.4084 1000.0 END IONS BEGIN IONS SCANS=73 PEPMASS=665.3868 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1400.0 187.1075 1400.0 205.1185 1100.0 261.1591 3800.0 272.1601 1100.0 344.1961 9100.0 362.2065 4800.0 387.2234 1100.0 389.2532 1200.0 415.2693 2600.0 419.228 1100.0 433.2803 3000.0 443.2646 17000.0 444.2691 1500.0 461.2749 5700.0 504.3181 1800.0 514.3011 3600.0 532.3119 3300.0 END IONS BEGIN IONS SCANS=74 PEPMASS=665.3863 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7600.0 120.0808 2100.0 173.1287 1000.0 187.1075 1200.0 205.1176 2000.0 231.1126 1500.0 233.1643 1400.0 261.1591 4600.0 272.16 2500.0 286.1759 1400.0 303.1694 4600.0 304.1736 1300.0 317.1852 9500.0 318.189 2300.0 344.1961 24000.0 345.1995 4500.0 362.2067 6400.0 367.2336 1500.0 385.2439 1400.0 387.2231 2100.0 389.254 1700.0 405.2337 1400.0 415.2326 1300.0 415.2692 4000.0 433.2804 5000.0 443.2645 20000.0 444.2671 1500.0 450.2383 2300.0 451.2408 1200.0 461.2749 7600.0 464.2538 2500.0 465.2565 1400.0 487.2902 1200.0 504.3175 2400.0 514.3018 4400.0 532.3121 4200.0 533.2746 2700.0 547.2897 4200.0 548.2933 3000.0 END IONS BEGIN IONS SCANS=75 PEPMASS=670.4283 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1300.0 296.1963 1200.0 342.1805 1400.0 375.2387 1100.0 455.264 4000.0 472.2909 93000.0 473.2946 7300.0 END IONS BEGIN IONS SCANS=76 PEPMASS=671.4117 CHARGE=1 COLLISION_ENERGY=0.0 70.0644 1400.0 70.0657 8700.0 120.0809 1900.0 171.1489 1000.0 195.1129 2100.0 199.1442 7800.0 225.1234 1100.0 245.1283 2500.0 279.1696 3800.0 296.1963 6400.0 342.1803 6700.0 360.1914 4600.0 376.2224 13000.0 393.2487 2000.0 472.2634 1100.0 473.2752 660000.0 474.2786 60000.0 540.3167 1400.0 572.3433 2900.0 END IONS BEGIN IONS SCANS=77 PEPMASS=672.5258 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 3000.0 89.0601 70000.0 117.0911 1400.0 130.0862 1400.0 131.0703 2500.0 133.0858 100000.0 134.0893 1600.0 175.0965 2600.0 177.1119 49000.0 178.1151 1800.0 221.1381 12000.0 239.1488 2600.0 265.1641 3400.0 283.1747 3800.0 309.1905 2300.0 327.2007 3100.0 353.2168 2300.0 371.2267 5600.0 415.2528 17000.0 416.2562 4100.0 459.2791 67000.0 460.2822 4500.0 END IONS BEGIN IONS SCANS=78 PEPMASS=675.3703 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 5500.0 171.1124 1600.0 190.086 1100.0 197.1283 3900.0 272.1596 3100.0 290.1697 1500.0 296.1961 2400.0 303.1695 3900.0 367.2328 1900.0 373.2077 3000.0 386.2064 43000.0 387.2099 2800.0 404.217 4700.0 457.2798 4700.0 468.2793 1600.0 485.2748 23000.0 486.2772 1600.0 486.2927 4400.0 503.2856 4000.0 505.2633 1500.0 556.3114 5400.0 574.3217 2900.0 604.3317 1000.0 647.3737 1500.0 END IONS BEGIN IONS SCANS=79 PEPMASS=679.3417 CHARGE=1 COLLISION_ENERGY=0.0 479.2622 1400.0 550.299 5300.0 578.2932 3200.0 635.3519 1400.0 END IONS BEGIN IONS SCANS=80 PEPMASS=682.4888 CHARGE=1 COLLISION_ENERGY=0.0 184.073 1300.0 236.149 1300.0 426.247 2100.0 444.258 5600.0 456.3653 1900.0 474.3779 9900.0 604.4924 3000.0 END IONS BEGIN IONS SCANS=81 PEPMASS=691.3439 CHARGE=1 COLLISION_ENERGY=0.0 65.7004 7500.0 72.0811 15000.0 72.0816 14000.0 80.6258 10000.0 90.7667 7000.0 93.8091 8400.0 102.9529 7400.0 105.9845 8100.0 110.5476 7000.0 111.0021 7900.0 120.0808 280000.0 121.3867 7200.0 155.118 7800.0 162.091 12000.0 171.1126 24000.0 173.1282 14000.0 183.1123 8000.0 190.0859 32000.0 201.1235 41000.0 221.1286 50000.0 229.2143 7900.0 231.1124 280000.0 232.1157 18000.0 249.1233 22000.0 254.1498 28000.0 266.1494 12000.0 267.1334 7900.0 272.1609 11000.0 276.1697 8400.0 278.8682 7100.0 302.1859 28000.0 330.1803 140000.0 332.16 24000.0 337.1538 320000.0 337.1861 43000.0 338.1705 32000.0 355.1968 110000.0 373.2242 12000.0 383.1924 27000.0 385.1864 10000.0 392.196 41000.0 394.1754 120000.0 401.2177 87000.0 410.2067 50000.0 420.1909 1900000.0 421.1943 180000.0 431.2285 37000.0 438.2015 250000.0 465.2505 12000.0 474.2695 18000.0 484.2544 43000.0 491.2644 130000.0 492.2676 23000.0 493.2436 25000.0 502.2651 140000.0 503.2689 19000.0 519.2591 750000.0 520.262 99000.0 521.2391 56000.0 537.2698 27000.0 590.2968 97000.0 591.3007 15000.0 592.2771 11000.0 598.9528 9400.0 609.2343 7800.0 654.9482 8300.0 662.6367 7800.0 663.3503 15000.0 664.8142 9000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=696.4067 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 86.097 1400.0 120.081 4700.0 201.1233 3800.0 221.1282 1600.0 231.1128 1600.0 233.1641 4300.0 247.1438 1900.0 249.1228 3200.0 261.1591 16000.0 262.1627 1100.0 272.1598 3500.0 289.186 3600.0 303.1695 1100.0 318.1808 1400.0 330.1804 11000.0 332.196 2000.0 344.1957 5300.0 348.1911 6800.0 360.2273 2600.0 362.2056 1700.0 363.205 2000.0 401.2181 3300.0 408.2274 12000.0 416.2527 1600.0 419.2274 4500.0 436.2544 7700.0 443.2643 17000.0 461.2749 4100.0 477.2496 2100.0 481.2798 2600.0 491.2643 18000.0 492.2671 2400.0 495.2597 3700.0 509.275 14000.0 514.3011 6200.0 532.311 1800.0 536.3213 2000.0 545.3101 3600.0 548.2853 1900.0 562.3373 5900.0 563.3212 3600.0 564.3161 2900.0 580.3478 12000.0 590.3325 32000.0 591.3356 4100.0 608.3427 24000.0 609.3454 2600.0 616.3483 2100.0 633.3749 1400.0 634.3572 2200.0 651.385 3800.0 661.3691 13000.0 END IONS BEGIN IONS SCANS=83 PEPMASS=697.3911 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 2300.0 86.0967 1600.0 120.0808 13000.0 173.1283 1600.0 189.1232 4000.0 201.1233 8300.0 221.1283 3100.0 231.1125 4000.0 233.1645 9200.0 247.1436 3100.0 249.1228 7900.0 261.1592 45000.0 262.1628 2100.0 285.159 1200.0 290.1701 6600.0 303.1699 1100.0 315.2067 1900.0 330.1805 30000.0 331.1839 1400.0 344.1959 6900.0 348.1908 12000.0 360.2271 4700.0 362.2069 2400.0 363.2059 5300.0 398.2426 1000.0 408.2273 27000.0 415.2698 2700.0 416.2541 2500.0 419.2277 4900.0 437.2385 18000.0 443.2644 29000.0 461.2744 7600.0 464.2535 3800.0 477.2482 4200.0 481.2797 5800.0 491.2642 34000.0 495.2592 5500.0 507.2957 1500.0 509.2747 23000.0 510.2779 2600.0 536.3209 3200.0 545.3113 4800.0 562.3372 8700.0 563.3214 5200.0 564.3148 3800.0 580.348 19000.0 590.3322 49000.0 591.3354 7000.0 608.3428 31000.0 609.3455 4200.0 END IONS BEGIN IONS SCANS=84 PEPMASS=702.4178 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1400.0 86.0966 16000.0 86.0983 1400.0 120.08 1100.0 171.1121 2300.0 183.1125 2100.0 190.0852 2400.0 197.1282 5000.0 201.1227 1700.0 254.149 2200.0 267.1327 2200.0 272.1603 2600.0 275.1745 1100.0 296.1964 11000.0 298.176 1100.0 303.1696 27000.0 304.1722 1400.0 310.1747 1400.0 337.1866 5600.0 338.1698 9900.0 344.1962 1400.0 355.1964 30000.0 367.2332 6400.0 383.1911 2300.0 386.2064 160000.0 387.2102 11000.0 397.243 2500.0 404.2172 19000.0 430.1953 2000.0 440.2858 1700.0 457.2797 6300.0 468.2809 52000.0 469.2839 5400.0 485.2749 270000.0 486.278 29000.0 487.2544 10000.0 502.3022 1300.0 503.2849 21000.0 504.2881 1500.0 533.2749 2300.0 556.3114 26000.0 557.3156 2900.0 558.2898 3500.0 558.3285 1100.0 586.3226 13000.0 587.325 1100.0 612.339 1200.0 629.3646 7500.0 639.348 4800.0 657.3591 35000.0 658.3616 6700.0 END IONS BEGIN IONS SCANS=85 PEPMASS=702.5366 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1500.0 87.0445 5900.0 89.0601 100000.0 117.0912 3100.0 130.086 1800.0 131.0703 4500.0 133.0858 150000.0 134.0894 2300.0 175.0961 4500.0 177.112 65000.0 178.1151 2000.0 183.2105 1300.0 184.073 5500.0 219.1225 1900.0 221.1381 17000.0 239.1485 3500.0 265.1636 6000.0 283.1743 6700.0 309.1899 5400.0 327.2002 3600.0 353.2165 3300.0 371.2263 3300.0 397.2427 1900.0 415.2526 6100.0 416.256 1100.0 459.2788 17000.0 460.2818 4600.0 485.2943 1100.0 503.3051 72000.0 504.3082 5100.0 561.4498 2500.0 561.4871 1400.0 END IONS BEGIN IONS SCANS=86 PEPMASS=705.36 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1400.0 120.0809 23000.0 171.1126 1500.0 176.1067 2000.0 201.1235 3200.0 204.1018 7100.0 221.1283 3800.0 231.1126 21000.0 249.1231 2300.0 254.1496 2400.0 267.1338 1000.0 302.1859 1500.0 330.1804 10000.0 332.1594 2300.0 337.1866 1500.0 338.1706 1800.0 351.1697 19000.0 352.1737 1900.0 355.1967 8000.0 373.2231 1100.0 383.1923 2600.0 387.2099 1400.0 401.2174 7200.0 408.1909 6300.0 424.2225 4000.0 431.228 2700.0 434.2068 120000.0 435.2101 10000.0 452.2171 14000.0 453.2204 1500.0 474.271 1600.0 484.2553 3700.0 486.2782 1900.0 487.2817 2000.0 502.2651 12000.0 505.2797 6000.0 507.2597 1800.0 533.2748 41000.0 534.2783 5400.0 535.2542 3400.0 551.2861 1500.0 563.5021 2500.0 564.5057 2200.0 604.3118 5500.0 END IONS BEGIN IONS SCANS=87 PEPMASS=705.3596 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3000.0 120.0808 13000.0 185.1284 1400.0 187.1437 1300.0 190.0856 1300.0 215.1387 2500.0 221.128 2300.0 231.1126 14000.0 249.1229 1400.0 268.1653 1800.0 316.202 1500.0 332.1596 1800.0 337.1537 13000.0 338.1573 1000.0 344.1959 5500.0 351.2019 1200.0 352.1856 1300.0 360.1909 3100.0 369.2121 4800.0 392.1959 2100.0 394.175 5500.0 410.2068 2700.0 415.233 3400.0 420.1908 97000.0 421.1942 7500.0 434.2062 1400.0 438.2016 12000.0 498.2701 2000.0 505.2799 6500.0 506.283 1000.0 516.28 6300.0 521.2377 3300.0 533.2747 29000.0 534.2775 3500.0 563.5017 2700.0 564.5053 2700.0 604.3114 4300.0 END IONS BEGIN IONS SCANS=88 PEPMASS=709.3546 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1400.0 120.0808 5900.0 201.1233 1100.0 221.1282 2300.0 231.1125 2900.0 272.1596 3000.0 330.1803 2600.0 337.1539 9600.0 392.1965 1100.0 394.1753 5500.0 410.2061 3400.0 419.2276 3400.0 420.1909 46000.0 421.1941 3400.0 438.2015 16000.0 439.2049 1300.0 491.2642 1600.0 493.2431 2400.0 509.2746 1200.0 519.2592 34000.0 520.2604 3300.0 537.2697 9100.0 590.2957 1300.0 608.3059 2700.0 END IONS BEGIN IONS SCANS=89 PEPMASS=709.3547 CHARGE=1 COLLISION_ENERGY=0.0 120.0809 15000.0 162.0912 1800.0 171.1126 4700.0 173.0918 1800.0 190.0861 2100.0 191.1025 1100.0 221.1287 1500.0 231.1125 19000.0 254.1497 1200.0 272.1599 6900.0 290.1704 3900.0 302.1865 1800.0 303.1699 1300.0 330.1804 6600.0 337.1537 9800.0 355.1973 2300.0 373.2078 4500.0 373.2222 1200.0 392.1961 1100.0 394.1754 3600.0 401.2177 5800.0 410.2065 1900.0 419.2268 1700.0 420.191 100000.0 421.1942 8700.0 438.2016 12000.0 450.2379 1000.0 491.2645 13000.0 492.2827 1900.0 493.244 1800.0 502.2649 5300.0 519.2591 46000.0 520.2601 2300.0 520.2781 9500.0 537.2698 9500.0 539.2487 3300.0 590.2959 13000.0 591.2991 1100.0 604.312 1600.0 608.3067 7100.0 609.3098 1000.0 610.2861 2600.0 638.3177 2000.0 663.3495 1400.0 664.3312 1000.0 681.3599 5000.0 END IONS BEGIN IONS SCANS=90 PEPMASS=709.3544 CHARGE=1 COLLISION_ENERGY=0.0 120.0809 15000.0 162.0912 1800.0 171.1126 4700.0 173.0918 1800.0 190.0861 2100.0 191.1025 1100.0 221.1287 1500.0 231.1125 19000.0 254.1497 1200.0 272.1599 6900.0 290.1704 3900.0 302.1865 1800.0 303.1699 1300.0 330.1804 6600.0 337.1537 9800.0 355.1973 2300.0 373.2078 4500.0 373.2222 1200.0 392.1961 1100.0 394.1754 3600.0 401.2177 5800.0 410.2065 1900.0 419.2268 1700.0 420.191 100000.0 421.1942 8700.0 438.2016 12000.0 450.2379 1000.0 491.2645 13000.0 492.2827 1900.0 493.244 1800.0 502.2649 5300.0 519.2591 46000.0 520.2601 2300.0 520.2781 9500.0 537.2698 9500.0 539.2487 3300.0 590.2959 13000.0 591.2991 1100.0 604.312 1600.0 608.3067 7100.0 609.3098 1000.0 610.2861 2600.0 638.3177 2000.0 663.3495 1400.0 664.3312 1000.0 681.3599 5000.0 END IONS BEGIN IONS SCANS=91 PEPMASS=713.3254 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 481.2438 1100.0 584.2831 1200.0 612.2786 1000.0 END IONS BEGIN IONS SCANS=92 PEPMASS=716.5519 CHARGE=1 COLLISION_ENERGY=0.0 59.0497 2200.0 87.0445 2300.0 89.0601 32000.0 117.091 2000.0 131.0703 1700.0 133.0858 41000.0 175.0965 2200.0 175.1326 1300.0 177.112 23000.0 178.1155 1200.0 221.1381 4400.0 265.1641 1800.0 283.1744 2700.0 309.1903 1300.0 327.2001 1600.0 353.2163 1000.0 397.2424 1100.0 415.2524 1600.0 459.279 8600.0 460.2821 2800.0 503.3051 25000.0 504.3086 2000.0 END IONS BEGIN IONS SCANS=93 PEPMASS=716.5521 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1000.0 87.0443 1900.0 89.0601 25000.0 91.5081 1100.0 117.0911 1500.0 131.0704 1500.0 133.0858 36000.0 175.0965 1300.0 177.1119 21000.0 178.1155 1100.0 221.1379 5200.0 265.1638 1900.0 283.1744 1400.0 309.1898 1400.0 327.2007 1400.0 371.2267 1100.0 415.253 1500.0 459.2787 4200.0 503.3051 23000.0 504.3094 2200.0 END IONS BEGIN IONS SCANS=94 PEPMASS=718.5381 CHARGE=1 COLLISION_ENERGY=0.0 71.0861 6500.0 81.0703 5700.0 83.0862 9500.0 85.1016 3800.0 95.0861 11000.0 97.1016 5300.0 103.1682 2200.0 109.1015 6600.0 111.1172 2500.0 121.1012 2200.0 123.1169 4000.0 149.1329 2500.0 151.1483 2600.0 163.9683 2200.0 168.9399 2000.0 184.0727 10000.0 198.7016 1800.0 214.1371 2200.0 218.9123 2100.0 239.2366 24000.0 240.3819 1900.0 247.2419 4500.0 265.2518 27000.0 282.279 7900.0 308.2938 21000.0 313.2728 17000.0 321.2786 2700.0 339.2884 19000.0 347.0727 2000.0 358.0354 2400.0 362.4122 2300.0 366.2968 2000.0 408.8323 2200.0 436.2816 5200.0 454.2918 8400.0 461.9642 2400.0 462.2957 2400.0 476.5235 2000.0 511.1638 2200.0 576.5046 12000.0 577.5181 2100000.0 578.5214 280000.0 596.8293 2800.0 667.0544 2200.0 END IONS BEGIN IONS SCANS=95 PEPMASS=719.3755 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2000.0 120.0808 17000.0 183.113 1100.0 184.073 1300.0 190.1218 1700.0 201.1233 3000.0 218.1174 12000.0 221.1281 3400.0 231.1126 16000.0 232.1163 1100.0 249.123 2000.0 254.1496 2300.0 302.1857 1500.0 330.1804 11000.0 332.1595 2000.0 337.1867 1100.0 338.1699 1500.0 355.197 6000.0 365.1853 14000.0 366.1882 1700.0 373.2227 1200.0 383.192 1500.0 401.2174 5600.0 422.2068 4700.0 431.2278 2400.0 438.2385 2600.0 448.2223 79000.0 449.2258 7500.0 466.2325 9600.0 467.2361 1300.0 474.2704 1400.0 484.2543 2400.0 502.2648 11000.0 519.2953 3800.0 547.2905 34000.0 548.2946 4300.0 549.2696 2200.0 565.3006 1500.0 577.5179 67000.0 578.5214 45000.0 579.5246 2800.0 618.3275 3700.0 620.3429 1100.0 END IONS BEGIN IONS SCANS=96 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 55.6022 1800.0 65.8314 1600.0 69.3544 1800.0 79.4241 1700.0 86.0968 120000.0 87.1003 2000.0 105.7107 1500.0 108.263 1700.0 120.0809 60000.0 138.8028 1500.0 140.6964 1600.0 159.1089 1600.0 162.0913 1800.0 162.1028 1700.0 173.1285 2000.0 185.1284 1700.0 190.0865 2500.0 201.1233 9800.0 203.1176 4800.0 221.1282 9100.0 231.1124 8200.0 233.1646 6600.0 249.1225 31000.0 254.149 4400.0 256.1281 2400.0 261.1591 7800.0 272.1598 25000.0 275.1749 6600.0 276.1695 2500.0 303.1698 460000.0 304.1729 26000.0 320.1969 4900.0 330.1804 43000.0 344.1959 66000.0 348.1907 28000.0 356.1956 2900.0 362.2067 28000.0 367.2334 11000.0 374.2068 5500.0 385.2431 8800.0 391.2333 14000.0 401.2178 18000.0 415.2328 13000.0 419.2277 45000.0 422.2429 29000.0 433.244 6500.0 443.2645 16000.0 450.2377 250000.0 451.241 27000.0 469.2786 2400.0 486.306 4200.0 487.2901 4700.0 488.2861 2200.0 507.2589 26000.0 514.3016 27000.0 523.2903 13000.0 532.312 19000.0 533.2747 270000.0 534.2776 38000.0 551.285 110000.0 552.288 15000.0 578.332 2600.0 604.3477 26000.0 605.3505 3000.0 606.3257 10000.0 632.3427 190000.0 633.3457 27000.0 634.5446 2400.0 650.3528 9200.0 END IONS BEGIN IONS SCANS=97 PEPMASS=721.3901 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 40000.0 120.0808 18000.0 190.0853 1000.0 201.1234 3500.0 221.1278 3200.0 231.1126 3200.0 233.1646 2100.0 249.1228 7200.0 254.1495 1600.0 261.159 2800.0 272.1595 6900.0 275.1746 1500.0 303.1697 150000.0 304.173 6800.0 320.1965 1600.0 330.1801 13000.0 344.196 21000.0 348.1908 7900.0 362.2065 10000.0 367.2328 3400.0 374.2064 1100.0 385.2435 2500.0 391.2333 3400.0 401.2174 5900.0 415.2325 3700.0 415.2693 2000.0 419.2278 14000.0 422.2432 7300.0 443.2637 3800.0 450.2375 72000.0 451.2414 6800.0 487.2897 2300.0 507.2589 10000.0 514.3011 7500.0 523.2901 4200.0 532.3114 6500.0 533.2747 82000.0 534.2782 9800.0 551.2851 38000.0 552.2888 4500.0 579.5245 1300.0 604.348 8700.0 605.3515 1100.0 606.3278 2900.0 632.3428 61000.0 633.3455 8800.0 650.353 2200.0 END IONS BEGIN IONS SCANS=98 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1500.0 86.0968 50000.0 120.0775 1700.0 120.0808 28000.0 173.1284 1200.0 183.1133 1300.0 190.0853 1400.0 201.1235 4600.0 221.1284 3900.0 231.1128 3600.0 233.1648 2400.0 249.1227 9600.0 254.1494 1400.0 261.1596 2700.0 272.1601 10000.0 275.1748 2400.0 276.1694 1400.0 302.1863 2700.0 303.1699 180000.0 304.173 9600.0 330.1804 16000.0 344.1961 25000.0 348.1914 8200.0 362.2065 13000.0 367.2329 4100.0 374.2065 1800.0 385.2433 2900.0 389.2541 1800.0 391.2334 5900.0 401.2174 8000.0 415.2336 4100.0 419.2278 21000.0 422.2428 11000.0 433.2791 3500.0 443.264 5600.0 450.2039 5200.0 450.2379 98000.0 451.2406 10000.0 461.2738 1500.0 469.2803 1600.0 487.2907 3100.0 504.3176 5300.0 507.2592 11000.0 514.3012 11000.0 532.312 8600.0 533.2748 110000.0 534.2786 13000.0 551.2853 46000.0 552.2891 5800.0 579.5235 1500.0 604.3482 9500.0 605.3508 1600.0 606.3279 2400.0 632.343 80000.0 633.3461 13000.0 650.3531 2900.0 688.2625 1000.0 END IONS BEGIN IONS SCANS=99 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 63.5493 1800.0 72.0811 8000.0 74.1439 1600.0 86.0968 240000.0 87.1001 2600.0 91.5063 4700.0 112.8439 1600.0 114.7821 1600.0 120.0809 110000.0 121.0844 2300.0 133.9709 1600.0 134.7927 1600.0 155.1177 3100.0 158.3767 2000.0 162.0904 2200.0 173.1283 3700.0 183.1124 3700.0 190.0862 5200.0 201.1237 17000.0 221.1281 15000.0 231.1124 14000.0 233.1649 9900.0 239.1753 2400.0 249.1226 33000.0 254.1491 6400.0 261.1591 14000.0 272.1599 39000.0 275.1743 11000.0 284.1961 5000.0 285.1598 3500.0 302.1857 10000.0 303.1698 750000.0 304.1731 33000.0 330.1805 69000.0 344.1961 120000.0 348.1909 32000.0 362.2065 51000.0 367.2334 19000.0 374.2067 7500.0 375.2016 7200.0 385.2436 9200.0 391.2331 20000.0 401.2177 33000.0 415.2334 19000.0 415.2693 10000.0 419.228 77000.0 422.2429 41000.0 443.2646 20000.0 450.238 380000.0 451.2413 37000.0 461.2744 5700.0 469.2802 4500.0 486.3053 9100.0 487.2898 9600.0 507.2596 52000.0 514.3014 45000.0 523.2903 21000.0 532.3117 29000.0 533.2748 430000.0 534.2781 51000.0 551.2852 190000.0 552.2887 26000.0 555.9824 1800.0 578.3316 2600.0 579.5239 1900.0 604.348 41000.0 605.3517 4400.0 606.326 13000.0 632.3431 310000.0 633.3464 42000.0 650.353 11000.0 656.1282 1800.0 659.9827 1700.0 END IONS BEGIN IONS SCANS=100 PEPMASS=724.4011 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6100.0 120.0809 3000.0 201.1233 2200.0 231.1126 1200.0 249.1236 1300.0 275.1706 2100.0 299.0614 4000.0 303.1696 32000.0 304.1732 1600.0 330.1808 3100.0 344.196 11000.0 362.2065 2800.0 405.2121 1900.0 415.0362 1000.0 422.2397 5400.0 429.088 1400.0 443.2642 3800.0 450.2377 25000.0 451.2409 2800.0 461.2747 2300.0 507.2591 4700.0 523.291 1300.0 533.2748 41000.0 534.2781 4800.0 535.323 7700.0 551.285 11000.0 552.289 1200.0 606.3271 1100.0 618.3271 1300.0 632.3428 25000.0 633.3462 4100.0 END IONS BEGIN IONS SCANS=101 PEPMASS=727.3658 CHARGE=1 COLLISION_ENERGY=0.0 120.0808 3900.0 221.1282 1500.0 231.1123 2500.0 272.1598 2000.0 299.0608 2900.0 330.1812 1900.0 337.1534 6900.0 373.2074 1300.0 394.1751 5700.0 410.207 2200.0 420.1909 37000.0 421.1944 3000.0 438.2016 12000.0 493.2432 2200.0 519.259 25000.0 520.2607 2900.0 537.2693 5000.0 538.2875 2200.0 608.3063 1300.0 END IONS BEGIN IONS SCANS=102 PEPMASS=728.4339 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1500.0 86.0969 4000.0 120.0811 6600.0 171.1125 2400.0 183.1129 1200.0 184.0731 4800.0 199.1802 6000.0 201.1238 2400.0 213.1594 1300.0 227.1751 26000.0 228.1791 1100.0 231.1119 5100.0 249.1233 1300.0 254.1494 3200.0 276.2679 3300.0 284.1962 1600.0 294.2783 8000.0 296.1961 4600.0 298.2125 2300.0 310.2126 3300.0 326.2433 2300.0 329.2219 2900.0 330.1805 18000.0 338.1707 2700.0 344.1961 10000.0 355.1966 8700.0 367.2333 6500.0 372.1909 2000.0 374.243 12000.0 381.2484 2700.0 383.1923 2500.0 401.2173 7600.0 409.2802 14000.0 415.2696 2000.0 423.2592 1200.0 431.2279 3600.0 443.2645 9000.0 451.2542 3900.0 456.3313 3900.0 457.28 29000.0 458.2837 2900.0 475.2908 4400.0 480.3168 9300.0 502.265 39000.0 503.2683 5200.0 511.3268 3400.0 514.3015 8800.0 528.3171 5800.0 528.3528 5500.0 556.348 21000.0 557.3513 3600.0 574.3588 7800.0 582.3626 4300.0 597.3375 2800.0 599.3904 5700.0 612.3381 2400.0 615.3484 12000.0 627.3852 42000.0 628.3887 5700.0 639.3845 4200.0 640.3687 2000.0 657.3954 3400.0 683.4125 3400.0 700.4379 8800.0 END IONS BEGIN IONS SCANS=103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=105 PEPMASS=738.4176 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1000.0 86.0951 1300.0 86.0967 13000.0 120.0809 5500.0 201.1231 2100.0 221.1283 1100.0 231.1123 2300.0 249.1234 3000.0 261.1592 1400.0 272.1598 1600.0 290.17 1300.0 302.1854 1000.0 303.1698 70000.0 304.1731 2500.0 330.1809 6600.0 344.1961 28000.0 348.1913 2800.0 362.207 5200.0 415.2693 2100.0 419.2284 4400.0 422.243 4600.0 436.2547 2200.0 437.2389 3200.0 443.2645 7000.0 450.2379 53000.0 451.2412 3300.0 461.2745 4500.0 507.2592 9800.0 523.2899 2400.0 532.3116 1700.0 533.2747 92000.0 534.2787 5700.0 549.338 3800.0 550.3226 4200.0 551.2853 25000.0 552.2882 1700.0 604.3475 3100.0 606.327 2000.0 632.343 60000.0 633.3463 4600.0 650.3532 3200.0 703.3822 1100.0 END IONS BEGIN IONS SCANS=106 PEPMASS=739.4004 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2400.0 86.0968 44000.0 91.5082 2100.0 120.0807 17000.0 162.0898 1500.0 173.1281 2300.0 183.1126 1200.0 189.1229 3500.0 190.0855 1200.0 201.1233 7500.0 221.1279 2500.0 231.1123 7400.0 233.1646 3400.0 249.1231 8100.0 261.1593 5900.0 272.1602 1600.0 275.1746 2400.0 290.1704 6800.0 303.1698 200000.0 304.173 15000.0 330.1802 18000.0 344.1961 67000.0 345.1999 5400.0 348.1906 7000.0 362.2065 15000.0 389.2539 2600.0 415.2696 4700.0 419.228 7500.0 422.2427 10000.0 433.2798 5800.0 437.238 10000.0 443.2644 21000.0 450.2378 110000.0 451.2414 17000.0 461.2747 11000.0 462.279 1800.0 507.259 21000.0 508.2627 3400.0 523.2904 5900.0 532.3118 5000.0 533.2748 200000.0 534.2779 33000.0 550.3222 19000.0 550.342 1300.0 551.2851 48000.0 551.325 2800.0 552.288 11000.0 578.3317 1000.0 604.3469 5200.0 605.3511 1800.0 606.3274 4900.0 632.3429 100000.0 633.3459 28000.0 650.3511 3400.0 END IONS BEGIN IONS SCANS=107 PEPMASS=739.4134 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1100.0 70.0657 10000.0 84.0448 3200.0 86.0968 11000.0 101.0712 3100.0 102.0552 12000.0 115.0867 24000.0 136.0756 8000.0 141.1023 1200.0 164.0083 4900.0 169.097 1300.0 184.073 5400.0 198.1234 2000.0 226.1184 17000.0 227.1216 1300.0 231.0974 2400.0 249.1596 2000.0 251.2365 1000.0 263.2363 1700.0 268.2628 7800.0 297.1552 1800.0 302.134 1400.0 319.2623 1200.0 337.2732 1400.0 370.2942 5500.0 380.278 1800.0 389.1812 2200.0 398.2895 10000.0 399.2928 2500.0 432.2232 1200.0 460.218 1200.0 531.7665 2200.0 532.2589 1900.0 532.7585 1100.0 540.7711 8600.0 541.2722 5600.0 577.517 1100.0 580.3353 1100.0 588.8482 4800.0 589.3499 4000.0 599.502 90000.0 605.2909 1600.0 620.3063 1400.0 637.3334 1300.0 658.3814 1000.0 682.8702 1000.0 683.8975 2200.0 684.3961 2300.0 697.4759 3600.0 END IONS BEGIN IONS SCANS=108 PEPMASS=739.9149 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 12000.0 81.0702 1500.0 84.0447 3300.0 86.0968 10000.0 95.0857 1200.0 101.0712 3500.0 102.0552 12000.0 115.0868 22000.0 116.09 1200.0 120.9659 1100.0 136.0758 5600.0 164.0081 17000.0 169.097 1200.0 184.073 11000.0 198.1235 1600.0 226.1182 16000.0 227.1221 1600.0 231.0972 2200.0 249.1598 2700.0 263.2362 5200.0 268.2629 7900.0 269.2665 2000.0 297.1558 1700.0 299.0617 2900.0 302.134 1500.0 306.2787 3900.0 319.263 2100.0 337.2723 4100.0 359.0276 1100.0 370.2946 6500.0 380.2791 1200.0 389.1808 3200.0 398.2891 12000.0 399.2924 2900.0 460.2173 1100.0 478.2915 1100.0 531.7657 2900.0 532.7605 1100.0 540.7702 11000.0 541.2722 5500.0 541.7737 2000.0 577.5178 3000.0 580.3358 1200.0 588.8502 3700.0 589.349 3700.0 589.8514 1400.0 599.5021 310000.0 605.7932 1100.0 620.3065 1800.0 624.8688 1400.0 683.3696 1100.0 683.8949 1600.0 684.3968 1400.0 697.4765 12000.0 END IONS BEGIN IONS SCANS=109 PEPMASS=740.5221 CHARGE=1 COLLISION_ENERGY=0.0 67.0547 1600.0 70.0656 5300.0 81.0703 1400.0 84.0446 2000.0 86.0968 4500.0 95.0858 1800.0 101.0711 2000.0 102.0552 6000.0 109.1015 1400.0 115.0867 12000.0 120.9661 2100.0 136.0753 3600.0 164.0082 16000.0 167.0548 3000.0 184.0731 13000.0 198.1236 1700.0 226.1183 9500.0 227.1216 1700.0 231.0976 1600.0 239.0942 2600.0 249.1591 1100.0 263.2365 5800.0 268.2628 3200.0 269.2664 1100.0 299.0609 15000.0 302.1343 1400.0 306.278 4100.0 319.2628 2300.0 337.2729 4100.0 355.0692 3300.0 359.0272 6400.0 370.2946 2600.0 380.2791 1400.0 398.2892 4500.0 399.2925 1600.0 415.0364 4300.0 429.088 3500.0 460.2812 1400.0 478.2918 1400.0 531.7654 1100.0 540.7708 2900.0 541.272 3700.0 541.7739 1400.0 577.5173 2700.0 588.848 1800.0 589.3506 2200.0 589.8517 1400.0 599.5021 300000.0 600.5056 43000.0 684.3977 1300.0 697.4763 9700.0 698.4794 1700.0 END IONS BEGIN IONS SCANS=110 PEPMASS=741.1957 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=111 PEPMASS=741.1951 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=112 PEPMASS=741.1949 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=113 PEPMASS=741.1951 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=114 PEPMASS=741.1954 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=115 PEPMASS=741.1957 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=116 PEPMASS=741.1952 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=117 PEPMASS=741.1954 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=118 PEPMASS=741.1955 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=119 PEPMASS=741.1947 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=120 PEPMASS=741.1942 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=121 PEPMASS=741.1947 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=122 PEPMASS=741.195 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=123 PEPMASS=741.1935 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=124 PEPMASS=741.1946 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=125 PEPMASS=741.3804 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1500.0 91.5062 1100.0 120.0809 3900.0 167.0553 3800.0 187.1073 2800.0 205.1182 1200.0 221.1283 1300.0 225.0431 1600.0 231.1127 2700.0 239.0946 3400.0 272.1598 1300.0 281.0498 1800.0 286.1751 2200.0 299.061 18000.0 300.0607 1800.0 330.1803 1900.0 337.1538 7700.0 355.0689 3300.0 359.0276 7400.0 360.0274 1200.0 387.2228 1100.0 394.1753 6000.0 410.206 2100.0 415.0357 5400.0 420.1907 46000.0 421.1943 3400.0 429.0876 3000.0 438.2013 14000.0 491.2641 1400.0 493.2435 2000.0 503.1063 1300.0 519.2591 28000.0 520.2621 3600.0 534.291 1700.0 537.2697 6200.0 552.3004 2100.0 608.3063 1500.0 END IONS BEGIN IONS SCANS=126 PEPMASS=741.5256 CHARGE=1 COLLISION_ENERGY=0.0 70.0658 1200.0 81.0704 2000.0 86.0968 1400.0 91.0577 2000.0 95.0859 1500.0 109.1014 1600.0 115.0867 2400.0 120.9663 2300.0 123.1167 1100.0 149.045 1100.0 164.0083 18000.0 167.0555 4700.0 184.0732 12000.0 225.043 1700.0 226.1188 1500.0 239.0946 4700.0 263.2363 4800.0 281.0499 2500.0 299.0611 26000.0 300.0604 2900.0 306.2787 3300.0 319.2623 2400.0 337.2726 3300.0 338.2766 1300.0 355.0686 4200.0 359.0277 11000.0 360.0277 1400.0 415.0357 7000.0 416.0367 1500.0 429.0877 3800.0 430.0882 1200.0 478.292 1500.0 503.1059 1700.0 577.5178 3000.0 578.5211 2200.0 599.5023 160000.0 600.5056 140000.0 601.5156 13000.0 697.4768 6100.0 698.4797 5700.0 END IONS BEGIN IONS SCANS=127 PEPMASS=748.4024 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1500.0 120.0808 7200.0 184.0731 3300.0 231.1127 3600.0 233.1644 7100.0 240.1333 1100.0 258.1444 1500.0 261.1592 22000.0 262.1628 1100.0 288.1339 1200.0 318.1808 1200.0 330.1803 12000.0 341.1815 3000.0 344.1962 6300.0 363.2061 1200.0 369.1759 2300.0 387.2013 4000.0 401.2175 1800.0 408.2274 6200.0 415.2695 1300.0 443.228 1600.0 443.2643 7600.0 460.254 1800.0 470.2387 3200.0 488.2495 28000.0 489.2526 2600.0 491.2645 18000.0 492.2677 1900.0 500.2858 5900.0 509.2756 2100.0 534.271 1100.0 545.3104 1900.0 548.2859 2600.0 562.338 3100.0 575.2861 1500.0 580.3478 1200.0 583.3226 2500.0 590.3321 9900.0 591.337 1200.0 601.333 9900.0 602.3349 2600.0 608.3427 2500.0 619.3595 2600.0 647.3539 13000.0 648.3563 1600.0 650.5334 1700.0 720.4066 3200.0 END IONS BEGIN IONS SCANS=128 PEPMASS=752.4332 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 23000.0 120.0806 7700.0 201.1228 1900.0 215.1387 1800.0 221.1279 1700.0 231.1127 2900.0 233.1644 1700.0 249.1227 4500.0 261.159 3900.0 272.1599 1600.0 286.1751 2000.0 303.1698 50000.0 304.173 2600.0 317.1854 47000.0 330.18 4700.0 344.1962 50000.0 345.1995 3000.0 362.2064 14000.0 389.2537 1000.0 415.2332 2600.0 419.2279 4000.0 422.2433 4000.0 433.2433 5700.0 436.2565 5200.0 443.2645 7500.0 450.2379 38000.0 450.2695 3000.0 451.2414 3600.0 457.28 5400.0 461.2744 4200.0 464.2534 34000.0 507.259 8500.0 533.2748 72000.0 534.2783 8300.0 547.2902 59000.0 548.2937 7000.0 549.3383 7900.0 551.2852 25000.0 552.2897 2500.0 563.3533 6900.0 565.3009 18000.0 566.3044 2200.0 618.3636 4500.0 620.3433 3400.0 646.3585 92000.0 647.3618 12000.0 664.3687 5800.0 693.3201 5300.0 717.3943 2400.0 END IONS BEGIN IONS SCANS=129 PEPMASS=753.4174 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2200.0 86.0968 34000.0 91.5081 2200.0 120.0807 14000.0 173.1284 2000.0 183.1124 1400.0 184.0728 1200.0 190.0858 1600.0 201.1231 9200.0 203.1393 5700.0 221.1278 1300.0 231.1124 6800.0 233.1646 3300.0 249.123 5400.0 261.1589 4700.0 275.174 1200.0 276.17 1200.0 303.1697 160000.0 304.1729 8700.0 304.1848 4200.0 330.1803 17000.0 344.1961 71000.0 345.1992 4400.0 362.2063 10000.0 389.2543 3100.0 415.2691 4200.0 422.2427 10000.0 433.2433 3200.0 433.2792 5100.0 438.2058 2000.0 443.2642 16000.0 450.2378 94000.0 451.2403 8500.0 451.2553 5700.0 461.2745 8000.0 505.2802 2400.0 507.2592 17000.0 523.2899 5500.0 533.2746 180000.0 534.278 25000.0 546.326 2200.0 551.285 46000.0 552.2892 5600.0 564.338 7800.0 565.3405 1000.0 604.3477 4700.0 606.3261 2400.0 632.3426 80000.0 633.3456 12000.0 650.3522 2200.0 END IONS BEGIN IONS SCANS=130 PEPMASS=753.418 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2200.0 86.0968 34000.0 91.5081 2200.0 120.0807 14000.0 173.1284 2000.0 183.1124 1400.0 184.0728 1200.0 190.0858 1600.0 201.1231 9200.0 203.1393 5700.0 221.1278 1300.0 231.1124 6800.0 233.1646 3300.0 249.123 5400.0 261.1589 4700.0 275.174 1200.0 276.17 1200.0 303.1697 160000.0 304.1729 8700.0 304.1848 4200.0 330.1803 17000.0 344.1961 71000.0 345.1992 4400.0 362.2063 10000.0 389.2543 3100.0 415.2691 4200.0 422.2427 10000.0 433.2433 3200.0 433.2792 5100.0 438.2058 2000.0 443.2642 16000.0 450.2378 94000.0 451.2403 8500.0 451.2553 5700.0 461.2745 8000.0 505.2802 2400.0 507.2592 17000.0 523.2899 5500.0 533.2746 180000.0 534.278 25000.0 546.326 2200.0 551.285 46000.0 552.2892 5600.0 564.338 7800.0 565.3405 1000.0 604.3477 4700.0 606.3261 2400.0 632.3426 80000.0 633.3456 12000.0 650.3522 2200.0 END IONS BEGIN IONS SCANS=131 PEPMASS=760.579 CHARGE=1 COLLISION_ENERGY=0.0 59.0497 6000.0 87.0444 2800.0 89.0601 33000.0 115.0755 1300.0 117.0912 5800.0 131.0695 1700.0 133.0858 48000.0 134.0892 1300.0 175.0964 2200.0 175.1327 2700.0 177.1118 23000.0 221.138 5900.0 233.1745 1400.0 239.1485 1100.0 265.164 1600.0 283.1749 2500.0 299.0604 2500.0 309.1896 2300.0 327.2008 1300.0 353.2157 1100.0 355.0695 1200.0 459.2789 1700.0 503.3049 5000.0 504.3089 1500.0 547.3312 19000.0 548.3346 2300.0 END IONS BEGIN IONS SCANS=132 PEPMASS=761.3866 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3900.0 120.0809 13000.0 183.1125 1500.0 184.0728 2900.0 201.1234 1600.0 231.1127 5200.0 254.15 1800.0 267.1338 1100.0 299.0614 2200.0 300.0616 1100.0 337.1862 1200.0 338.1705 1500.0 355.0693 1200.0 355.1971 3900.0 407.1959 14000.0 408.1989 1000.0 462.2372 1500.0 464.2176 4400.0 480.2486 2400.0 490.2329 110000.0 491.2362 8800.0 505.1029 1000.0 507.26 1300.0 508.2435 10000.0 509.2472 1100.0 561.3057 9100.0 562.3101 1200.0 589.301 34000.0 590.304 3400.0 591.28 5100.0 660.3377 3000.0 733.3895 1900.0 END IONS BEGIN IONS SCANS=133 PEPMASS=762.385 CHARGE=1 COLLISION_ENERGY=0.0 233.1319 1700.0 261.1263 6600.0 299.0608 1500.0 330.1806 1700.0 344.1962 1900.0 408.1943 4000.0 443.2306 1100.0 491.2316 3800.0 491.264 1100.0 502.2651 3800.0 526.3011 1400.0 562.3044 1100.0 590.299 3600.0 597.338 2100.0 615.3473 1500.0 661.3365 4700.0 698.3857 7800.0 734.3888 1200.0 END IONS BEGIN IONS SCANS=134 PEPMASS=762.4177 CHARGE=1 COLLISION_ENERGY=0.0 53.446 2100.0 68.6355 2200.0 72.0812 6700.0 72.2271 2100.0 86.0967 19000.0 90.5028 2100.0 108.3345 2300.0 120.0809 36000.0 128.8457 2100.0 147.6769 2400.0 155.1173 2500.0 158.1018 2400.0 171.1126 3300.0 173.1273 2600.0 183.1127 4100.0 199.8717 2100.0 201.1234 17000.0 203.1179 7300.0 221.1284 6900.0 231.1123 35000.0 233.1647 19000.0 249.1229 17000.0 254.149 34000.0 261.1262 7800.0 261.1591 62000.0 266.1486 3600.0 272.1596 12000.0 285.1598 4000.0 302.1494 56000.0 327.1701 11000.0 330.1805 42000.0 337.1861 18000.0 344.196 170000.0 348.1911 15000.0 355.1968 41000.0 356.1955 14000.0 362.2065 13000.0 363.2058 9700.0 370.2115 7100.0 373.2232 8200.0 401.2174 34000.0 408.2276 38000.0 415.233 43000.0 419.2286 25000.0 431.2274 13000.0 443.2645 59000.0 457.2438 18000.0 461.2745 15000.0 469.2798 19000.0 484.2546 54000.0 491.2644 130000.0 492.269 15000.0 502.2651 40000.0 509.2746 29000.0 514.3011 30000.0 526.3012 14000.0 545.311 17000.0 548.285 12000.0 562.3016 27000.0 574.3013 86000.0 580.3495 17000.0 590.3318 53000.0 592.3115 36000.0 597.3384 48000.0 608.3432 33000.0 615.3494 22000.0 616.3484 16000.0 631.3219 19000.0 645.3387 44000.0 649.3324 16000.0 661.368 12000.0 663.3475 12000.0 673.3693 95000.0 674.375 10000.0 691.3798 19000.0 698.3854 10000.0 716.4121 10000.0 717.3953 16000.0 726.3957 8200.0 734.4224 19000.0 787.22 2600.0 END IONS BEGIN IONS SCANS=135 PEPMASS=762.4185 CHARGE=1 COLLISION_ENERGY=0.0 59.0499 1400.0 72.0813 1400.0 86.0967 1500.0 89.06 2000.0 91.5082 1500.0 117.0914 1500.0 120.081 8900.0 133.0858 1500.0 164.0081 2300.0 171.1124 2200.0 173.1286 1200.0 177.112 1200.0 184.0732 2500.0 201.1227 1500.0 219.1132 1100.0 231.113 5000.0 233.1647 8500.0 247.1435 1400.0 254.1496 2800.0 261.1593 31000.0 262.1624 1900.0 272.1602 2100.0 282.1441 1400.0 302.1493 3100.0 330.1804 21000.0 332.1964 3300.0 337.1867 2500.0 338.1707 2500.0 344.1961 12000.0 355.1968 7900.0 360.2275 1500.0 363.206 3500.0 373.2238 1300.0 378.1809 1400.0 383.1918 2500.0 401.2175 13000.0 408.2274 11000.0 415.233 3300.0 419.2284 2000.0 431.2283 3300.0 443.2643 17000.0 457.2444 2000.0 477.2486 2100.0 484.254 5100.0 485.239 2700.0 491.2641 31000.0 492.2684 2400.0 502.265 28000.0 503.2676 4700.0 509.2737 4200.0 514.3013 12000.0 545.3109 4000.0 548.2852 3600.0 562.3018 4700.0 562.3376 7100.0 575.2852 2800.0 580.3473 3700.0 590.3323 22000.0 591.3362 3300.0 608.3436 6400.0 615.3485 8800.0 616.3476 5500.0 633.3743 6400.0 645.3377 2500.0 646.3219 2200.0 661.3691 38000.0 662.3728 4400.0 663.3503 1400.0 673.3694 4700.0 674.3533 2300.0 691.3801 2900.0 717.3962 2300.0 719.4609 1800.0 734.4224 7300.0 735.4262 1200.0 END IONS BEGIN IONS SCANS=136 PEPMASS=770.4446 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 6800.0 81.074 5500.0 83.8479 5600.0 86.0951 11000.0 86.0968 160000.0 96.9487 5400.0 111.7427 4900.0 115.9768 4800.0 120.0807 57000.0 137.2201 4600.0 145.6166 5500.0 152.8648 5200.0 156.054 4800.0 167.1704 5000.0 171.1124 10000.0 183.113 8400.0 184.9727 5100.0 200.2309 5800.0 201.1229 15000.0 201.3826 5600.0 231.1124 21000.0 233.1644 7100.0 249.1231 8200.0 254.1493 19000.0 261.1593 18000.0 269.1855 490000.0 270.1891 19000.0 282.1448 9000.0 296.196 16000.0 303.1698 180000.0 310.2115 41000.0 330.1805 76000.0 337.1871 16000.0 338.1705 25000.0 344.1961 210000.0 355.1971 76000.0 362.2066 15000.0 367.2334 19000.0 383.1919 11000.0 385.1858 8600.0 388.2585 47000.0 401.2179 46000.0 416.2537 300000.0 417.257 23000.0 431.2275 18000.0 443.2647 71000.0 445.244 18000.0 450.2716 13000.0 468.2813 37000.0 473.2755 35000.0 480.317 16000.0 484.2548 18000.0 499.2906 700000.0 500.2945 60000.0 502.265 130000.0 514.3012 70000.0 517.3011 100000.0 526.3012 14000.0 544.3118 12000.0 570.3635 36000.0 581.3643 57000.0 587.3533 20000.0 597.3372 28000.0 598.3585 470000.0 599.3618 53000.0 600.3382 46000.0 615.3486 260000.0 616.3513 20000.0 647.4536 5800.0 669.3956 63000.0 670.3961 6400.0 671.3751 9100.0 703.4501 6300.0 731.5115 5400.0 742.4477 19000.0 743.1373 5900.0 END IONS BEGIN IONS SCANS=137 PEPMASS=770.4798 CHARGE=1 COLLISION_ENERGY=0.0 184.073 1300.0 199.1437 2600.0 296.1965 1300.0 298.2119 1900.0 342.1811 1800.0 376.2227 2700.0 395.2649 3100.0 473.275 140000.0 474.2783 11000.0 572.3428 11000.0 573.3456 1200.0 639.386 1700.0 END IONS BEGIN IONS SCANS=138 PEPMASS=776.3975 CHARGE=1 COLLISION_ENERGY=0.0 59.4305 9700.0 70.7925 12000.0 73.1974 11000.0 77.5292 9900.0 86.0968 530000.0 92.6398 11000.0 103.0744 9600.0 120.0808 220000.0 125.412 9300.0 134.3424 11000.0 142.4491 11000.0 143.0817 22000.0 155.0816 14000.0 158.0434 10000.0 160.3352 11000.0 162.0909 15000.0 162.9285 11000.0 173.0918 36000.0 221.1277 18000.0 226.1182 33000.0 231.1125 60000.0 233.1645 42000.0 244.1286 28000.0 249.1224 35000.0 254.1127 12000.0 261.1593 38000.0 274.1537 14000.0 275.1749 39000.0 281.1606 17000.0 282.1444 40000.0 302.1489 210000.0 303.1697 1800000.0 304.173 90000.0 310.1385 52000.0 327.1657 170000.0 344.196 480000.0 355.1605 50000.0 362.2063 55000.0 373.1862 140000.0 374.1895 12000.0 385.187 20000.0 387.2375 19000.0 403.1974 77000.0 415.233 140000.0 422.2426 110000.0 427.2331 16000.0 445.2439 34000.0 446.2387 41000.0 450.2378 600000.0 451.2396 64000.0 456.2228 60000.0 474.2337 520000.0 486.2703 200000.0 498.2698 41000.0 507.2599 61000.0 515.2632 14000.0 516.2806 57000.0 533.2747 810000.0 534.2786 99000.0 543.2894 13000.0 551.2847 120000.0 559.3224 40000.0 569.3074 66000.0 576.3162 57000.0 587.3176 730000.0 588.3212 67000.0 604.3115 610000.0 605.3137 82000.0 622.3205 13000.0 631.5358 11000.0 634.3218 75000.0 647.3513 20000.0 659.0291 14000.0 675.3485 87000.0 676.3499 22000.0 705.3575 34000.0 742.1682 11000.0 747.8832 10000.0 END IONS BEGIN IONS SCANS=139 PEPMASS=780.4282 CHARGE=1 COLLISION_ENERGY=0.0 56.2405 1100.0 72.0813 1500.0 76.3709 1100.0 91.5079 2200.0 95.8065 1100.0 97.9776 1100.0 114.9507 1200.0 120.0809 7300.0 123.3816 1100.0 166.066 1000.0 171.1128 1700.0 173.0919 1600.0 173.128 1100.0 184.0729 1500.0 199.9747 1100.0 201.1234 7000.0 221.1285 2800.0 231.1129 3300.0 233.1644 7100.0 247.1441 3000.0 249.1225 4700.0 254.15 1700.0 258.9028 1100.0 259.7654 1000.0 261.1592 23000.0 272.1595 13000.0 315.2063 1800.0 318.1806 3300.0 330.1803 15000.0 332.1959 4600.0 344.1962 9500.0 348.1903 10000.0 355.1977 1800.0 360.2276 3700.0 362.2069 2600.0 363.2061 3100.0 373.2076 4600.0 374.2074 2700.0 401.2175 10000.0 408.2274 16000.0 415.2333 4100.0 419.2279 14000.0 431.2648 3300.0 443.2646 25000.0 461.274 8400.0 477.2497 3200.0 479.2648 3800.0 481.2811 4300.0 491.2642 29000.0 495.2599 3400.0 509.2749 17000.0 514.3016 18000.0 520.2752 17000.0 532.3111 4800.0 545.3104 6200.0 548.2856 4500.0 562.3008 7100.0 562.337 11000.0 563.3225 6000.0 580.3478 18000.0 590.3322 55000.0 591.3353 6100.0 608.343 32000.0 609.3448 5800.0 616.3474 7200.0 633.3762 2200.0 634.358 5500.0 635.3546 2200.0 651.3845 10000.0 652.3888 1700.0 661.3692 34000.0 662.3727 5000.0 679.3798 24000.0 680.385 2800.0 712.0157 1100.0 744.4056 3200.0 END IONS BEGIN IONS SCANS=140 PEPMASS=780.429 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 2000.0 120.0809 5400.0 171.1127 1300.0 183.1123 1300.0 184.0729 4100.0 231.1125 5700.0 233.1649 8100.0 247.1442 1100.0 261.1593 23000.0 272.16 3100.0 290.1705 2300.0 302.1857 1100.0 330.1806 13000.0 332.1974 1000.0 344.1961 7100.0 355.198 1100.0 360.2271 1700.0 362.2068 1600.0 372.1913 1300.0 373.208 1600.0 401.2031 2000.0 401.2178 4800.0 408.2276 5600.0 443.2645 11000.0 477.2497 2300.0 484.2553 1500.0 490.234 1800.0 491.2357 1700.0 491.2644 29000.0 492.2664 1500.0 502.2651 7100.0 514.3015 4400.0 520.2756 19000.0 521.2787 1900.0 545.3121 2400.0 548.2876 1600.0 562.301 1800.0 562.3377 4600.0 563.3426 1200.0 589.3014 1200.0 590.3326 16000.0 591.3372 2700.0 608.3428 3600.0 615.3484 2600.0 616.3517 1200.0 633.3595 2800.0 633.376 2200.0 634.3601 1100.0 661.3704 21000.0 662.373 3000.0 663.3495 1200.0 679.3807 3200.0 709.3912 1600.0 734.4218 1200.0 744.4064 3700.0 752.434 7200.0 END IONS BEGIN IONS SCANS=141 PEPMASS=780.4281 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1700.0 120.0808 4700.0 171.1127 1300.0 184.0731 8700.0 231.1125 3500.0 233.1646 7700.0 247.144 1400.0 261.1594 18000.0 272.1599 3600.0 290.1708 1600.0 330.1808 13000.0 332.1964 2200.0 344.1963 6400.0 348.1914 1400.0 355.1975 1300.0 360.2274 1400.0 363.205 1900.0 372.1916 1000.0 373.207 2200.0 401.2029 1600.0 401.2181 6000.0 408.2277 6000.0 419.2274 2300.0 421.6906 3300.0 443.2644 14000.0 461.2758 1900.0 477.2493 1500.0 479.2655 1200.0 484.2556 1100.0 491.2647 17000.0 492.2661 2100.0 502.265 4900.0 509.2753 2200.0 514.3016 8200.0 520.2756 18000.0 521.2794 1400.0 545.312 2600.0 562.3033 2000.0 562.338 4200.0 580.3137 1200.0 580.347 2100.0 590.3327 17000.0 591.3354 2600.0 608.3425 3500.0 615.3491 2900.0 616.3488 1300.0 633.3594 4600.0 633.3787 1500.0 634.3596 1000.0 651.3863 1300.0 661.3706 22000.0 662.3738 3200.0 663.3495 1200.0 679.3807 2600.0 681.3604 1100.0 709.3917 1200.0 734.4227 1100.0 744.407 4400.0 752.4343 4900.0 END IONS BEGIN IONS SCANS=142 PEPMASS=781.4593 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 486.2695 1000.0 491.2286 1600.0 583.3224 60000.0 584.3259 7300.0 653.4018 1600.0 717.3988 1400.0 END IONS BEGIN IONS SCANS=143 PEPMASS=784.4612 CHARGE=1 COLLISION_ENERGY=0.0 86.0949 1000.0 86.0968 19000.0 120.0809 4700.0 184.0732 2000.0 231.1129 1600.0 254.1495 1000.0 269.1855 6300.0 283.2011 38000.0 284.2048 1300.0 296.1967 1900.0 303.1695 7900.0 310.2119 10000.0 317.1855 18000.0 330.1805 5700.0 338.1706 1900.0 344.1963 24000.0 355.1971 6200.0 362.2068 2000.0 367.2338 1700.0 369.213 1000.0 383.1926 1400.0 401.2175 3500.0 402.2745 3500.0 416.2534 7000.0 430.2693 23000.0 443.2645 5500.0 445.2444 1800.0 468.2809 3100.0 473.2755 4300.0 480.3171 2100.0 484.2556 1500.0 487.2913 2100.0 499.2908 18000.0 502.2652 11000.0 513.3065 53000.0 514.3005 7100.0 516.281 2700.0 517.3011 2700.0 531.3168 6300.0 581.365 8600.0 582.3669 1100.0 584.3788 4200.0 587.3547 1700.0 595.3816 1800.0 597.3398 2500.0 612.3744 45000.0 613.3775 6300.0 614.3533 2900.0 615.3491 23000.0 616.3503 3000.0 629.3647 3300.0 683.4114 5000.0 685.3916 1300.0 748.5714 1400.0 756.4646 1400.0 END IONS BEGIN IONS SCANS=144 PEPMASS=784.4604 CHARGE=1 COLLISION_ENERGY=0.0 86.0949 1000.0 86.0968 19000.0 120.0809 4700.0 184.0732 2000.0 231.1129 1600.0 254.1495 1000.0 269.1855 6300.0 283.2011 38000.0 284.2048 1300.0 296.1967 1900.0 303.1695 7900.0 310.2119 10000.0 317.1855 18000.0 330.1805 5700.0 338.1706 1900.0 344.1963 24000.0 355.1971 6200.0 362.2068 2000.0 367.2338 1700.0 369.213 1000.0 383.1926 1400.0 401.2175 3500.0 402.2745 3500.0 416.2534 7000.0 430.2693 23000.0 443.2645 5500.0 445.2444 1800.0 468.2809 3100.0 473.2755 4300.0 480.3171 2100.0 484.2556 1500.0 487.2913 2100.0 499.2908 18000.0 502.2652 11000.0 513.3065 53000.0 514.3005 7100.0 516.281 2700.0 517.3011 2700.0 531.3168 6300.0 581.365 8600.0 582.3669 1100.0 584.3788 4200.0 587.3547 1700.0 595.3816 1800.0 597.3398 2500.0 612.3744 45000.0 613.3775 6300.0 614.3533 2900.0 615.3491 23000.0 616.3503 3000.0 629.3647 3300.0 683.4114 5000.0 685.3916 1300.0 748.5714 1400.0 756.4646 1400.0 END IONS BEGIN IONS SCANS=145 PEPMASS=788.4009 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1900.0 86.0968 59000.0 104.0531 14000.0 120.0805 2300.0 162.0907 1700.0 171.1125 3100.0 183.1125 1000.0 190.0858 2300.0 201.1231 4000.0 215.0846 6300.0 217.1366 2600.0 227.1389 1700.0 233.0954 1600.0 245.1317 3900.0 254.1489 3100.0 267.1334 2900.0 272.1595 2600.0 275.1749 2500.0 286.1574 2100.0 287.1416 9100.0 303.1699 230000.0 304.1731 12000.0 314.1524 24000.0 328.1683 68000.0 337.1861 4800.0 338.1701 7800.0 355.1967 24000.0 358.212 3000.0 367.2328 4200.0 383.1915 5500.0 385.1898 13000.0 399.2412 5100.0 406.2152 6600.0 415.2 5900.0 427.2365 16000.0 429.2154 4400.0 434.2101 71000.0 435.2137 4900.0 458.2419 3800.0 468.2265 5400.0 486.237 47000.0 487.2421 3600.0 491.2311 6300.0 498.2734 20000.0 500.2525 2300.0 510.273 3300.0 517.2469 210000.0 518.25 19000.0 528.2835 2300.0 535.2571 22000.0 554.2992 1600.0 571.3253 4500.0 581.3105 7900.0 588.3199 11000.0 590.299 1600.0 599.3207 77000.0 600.3235 6600.0 615.3488 4400.0 616.3149 120000.0 617.3178 15000.0 618.294 11000.0 634.326 2200.0 687.3516 16000.0 688.3554 2200.0 689.3313 1900.0 760.4031 3800.0 END IONS BEGIN IONS SCANS=146 PEPMASS=788.4344 CHARGE=1 COLLISION_ENERGY=0.0 112.1123 1200.0 146.0965 1100.0 184.0734 2200.0 259.1801 10000.0 287.1747 28000.0 288.1785 1400.0 330.1805 3400.0 355.1971 1500.0 401.2177 1700.0 431.2285 1300.0 434.243 14000.0 435.2469 1400.0 491.2647 2500.0 502.2648 8800.0 517.28 35000.0 518.2833 3100.0 535.2902 6000.0 588.3527 2700.0 590.3321 2100.0 616.3481 21000.0 617.3512 2800.0 618.3287 3200.0 634.3584 1900.0 661.3694 3000.0 687.3851 4400.0 717.3949 1400.0 760.4379 1500.0 END IONS BEGIN IONS SCANS=147 PEPMASS=788.4342 CHARGE=1 COLLISION_ENERGY=0.0 184.0727 1900.0 259.1799 8100.0 287.1748 22000.0 330.1804 2900.0 355.1972 1600.0 401.2178 2600.0 434.2431 12000.0 491.2638 2400.0 502.2646 8200.0 517.2486 1100.0 517.2798 30000.0 518.2823 3200.0 535.2903 5500.0 588.3535 3400.0 590.3342 2000.0 616.3481 22000.0 617.3526 3200.0 618.3272 2000.0 634.3603 2500.0 661.3696 2700.0 687.3852 3700.0 729.4841 1000.0 760.438 1300.0 END IONS BEGIN IONS SCANS=148 PEPMASS=788.4543 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1200.0 269.1853 5300.0 303.1703 2300.0 344.196 1800.0 416.2536 9200.0 419.228 2000.0 473.2744 1400.0 499.2906 12000.0 500.2935 1100.0 517.3008 6800.0 532.3117 1100.0 598.3588 14000.0 599.3597 1700.0 616.3701 1500.0 633.3599 1900.0 END IONS BEGIN IONS SCANS=149 PEPMASS=788.4541 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 3700.0 85.7418 1700.0 85.848 1700.0 86.0968 88000.0 88.2651 1700.0 91.5082 2800.0 104.5121 1700.0 120.0655 1800.0 120.0808 30000.0 120.2809 1800.0 138.4821 1800.0 146.789 1800.0 153.4919 1700.0 171.112 12000.0 173.0918 4800.0 183.1119 2000.0 191.102 4900.0 196.7961 1900.0 201.8568 2000.0 212.718 1800.0 227.1395 1800.0 231.1125 17000.0 233.1648 5300.0 248.1391 2100.0 254.1492 5400.0 261.1593 5800.0 269.1854 230000.0 270.1888 7600.0 272.1596 26000.0 290.1703 20000.0 303.1693 33000.0 310.2117 15000.0 330.1803 37000.0 344.196 130000.0 345.2001 6900.0 345.2126 8900.0 350.1703 2100.0 355.1966 15000.0 362.2063 5500.0 367.2333 2300.0 373.2075 33000.0 388.2585 15000.0 401.2024 12000.0 401.2176 15000.0 415.2703 9100.0 416.2533 99000.0 419.2283 8300.0 443.2642 30000.0 468.2816 3800.0 473.2755 8800.0 486.2917 3200.0 489.3062 3900.0 492.2805 7500.0 499.2906 300000.0 500.2944 24000.0 502.2649 27000.0 514.3017 18000.0 517.301 37000.0 520.2755 78000.0 532.3113 8300.0 570.3633 22000.0 572.3433 4000.0 581.3656 2800.0 597.3384 4400.0 598.3585 170000.0 599.3621 18000.0 605.3646 16000.0 615.3483 23000.0 616.3713 11000.0 618.3478 18000.0 633.3593 170000.0 634.3624 17000.0 669.395 38000.0 670.3992 4700.0 687.4059 15000.0 689.3859 16000.0 689.4186 3000.0 717.416 14000.0 718.4183 3400.0 742.4487 2200.0 743.4315 3600.0 760.4594 25000.0 761.4619 6300.0 819.2254 2100.0 END IONS BEGIN IONS SCANS=150 PEPMASS=790.4131 CHARGE=1 COLLISION_ENERGY=0.0 65.3027 2900.0 72.0813 6400.0 85.3243 2800.0 86.0968 140000.0 91.508 9700.0 99.8226 2900.0 104.2839 2900.0 111.1188 3200.0 112.5169 3600.0 120.0807 49000.0 146.1668 2800.0 157.0968 4500.0 162.0911 3000.0 173.1285 2700.0 183.1121 2600.0 190.0859 3500.0 190.3062 2700.0 201.1234 3200.0 217.1386 2900.0 231.1125 15000.0 233.1646 16000.0 240.1338 7000.0 249.1226 7500.0 254.149 3400.0 258.1442 7100.0 261.1596 13000.0 275.175 6100.0 295.1755 4900.0 296.1598 11000.0 303.1698 410000.0 304.1734 21000.0 324.155 11000.0 330.1807 47000.0 341.1811 30000.0 344.1962 150000.0 353.217 5200.0 359.2084 3200.0 362.2071 8300.0 369.1766 11000.0 387.202 21000.0 389.1815 4800.0 401.2174 7600.0 415.2699 13000.0 422.2429 15000.0 436.2543 3700.0 443.2643 44000.0 445.2445 4700.0 450.2378 110000.0 451.2407 11000.0 460.2543 10000.0 470.2386 20000.0 488.2495 150000.0 489.2519 19000.0 500.2856 42000.0 502.2649 6400.0 505.2831 3900.0 507.2602 8100.0 533.2748 280000.0 534.2776 29000.0 550.3018 3100.0 551.2852 38000.0 552.288 4500.0 555.3293 3800.0 573.3386 18000.0 583.3223 20000.0 601.3332 420000.0 602.3362 41000.0 604.3486 10000.0 632.3431 130000.0 633.3458 18000.0 634.3225 9700.0 686.2996 3100.0 689.3639 17000.0 691.3435 3500.0 762.4157 6600.0 END IONS BEGIN IONS SCANS=151 PEPMASS=790.4142 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1300.0 86.0968 40000.0 120.081 15000.0 184.073 1300.0 231.1129 4100.0 233.1647 3000.0 240.1341 1300.0 258.1439 1400.0 261.1593 3600.0 275.1748 1400.0 303.1699 120000.0 304.1731 4900.0 316.1647 7000.0 330.1806 14000.0 341.1808 7000.0 344.1963 26000.0 362.2071 1200.0 369.1761 3500.0 387.2023 3400.0 401.2177 7100.0 417.213 2300.0 422.2427 6300.0 429.2487 4000.0 431.2282 2200.0 443.2649 4100.0 450.2379 41000.0 451.2415 3800.0 460.2537 2100.0 470.2385 2700.0 488.2495 27000.0 489.2534 2500.0 500.2862 6900.0 514.3016 11000.0 519.2593 20000.0 533.275 54000.0 534.2784 5500.0 537.269 3800.0 551.2855 3800.0 556.3131 1100.0 573.3381 3200.0 583.3224 2500.0 584.3063 1200.0 590.332 1800.0 601.3333 55000.0 602.3365 5600.0 604.3479 5300.0 618.3273 16000.0 620.3068 7900.0 632.3431 33000.0 689.3659 2600.0 703.3801 8600.0 704.3843 1300.0 719.3746 1000.0 762.416 1100.0 END IONS BEGIN IONS SCANS=152 PEPMASS=794.4076 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0809 9800.0 143.0815 1700.0 173.0918 1600.0 190.0862 1500.0 226.1186 2000.0 231.1125 6100.0 233.1642 2900.0 244.1286 7600.0 249.123 1200.0 261.1595 3300.0 262.1395 2600.0 275.1755 1100.0 281.1601 1400.0 299.1707 1800.0 302.1495 11000.0 303.17 110000.0 304.1732 4800.0 327.1657 3500.0 344.1963 45000.0 345.1765 10000.0 362.2064 2400.0 373.1717 2500.0 373.1863 6700.0 387.2377 1200.0 391.1975 2000.0 415.2331 8600.0 422.243 4800.0 430.2435 1800.0 440.2498 1000.0 450.238 30000.0 464.2491 2900.0 474.2337 10000.0 486.27 6900.0 492.2447 38000.0 493.2478 2900.0 504.281 2700.0 507.2598 1900.0 520.2393 1800.0 533.275 52000.0 534.2764 5000.0 551.2854 7600.0 576.317 5500.0 577.3342 3800.0 578.2966 1300.0 587.3177 9500.0 588.3212 1100.0 604.3122 36000.0 605.3289 61000.0 606.3318 7200.0 621.3387 1600.0 622.3223 5300.0 652.3333 3000.0 675.3492 11000.0 676.3524 1600.0 693.3597 3900.0 694.3634 1000.0 723.3702 6600.0 748.4011 1200.0 766.4115 4800.0 END IONS BEGIN IONS SCANS=153 PEPMASS=794.4436 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6600.0 120.0808 3000.0 145.0971 1400.0 201.1235 1100.0 231.1125 1400.0 249.1232 1100.0 272.1602 1200.0 303.1698 31000.0 304.1732 1300.0 330.18 2900.0 344.1962 14000.0 345.213 1100.0 362.2065 2900.0 419.2282 3100.0 422.2427 2700.0 443.2649 3400.0 450.2381 25000.0 451.2413 2500.0 461.2753 1500.0 492.2442 1100.0 492.2815 2200.0 507.2594 5500.0 514.3013 1400.0 523.2905 1500.0 532.3128 2000.0 533.2749 46000.0 534.2786 4400.0 551.2853 15000.0 552.2888 1500.0 605.3278 1600.0 605.3649 3400.0 606.3282 1800.0 632.3431 31000.0 633.3465 4400.0 650.3541 2000.0 703.379 1100.0 721.3895 1100.0 750.2955 1400.0 END IONS BEGIN IONS SCANS=154 PEPMASS=794.4442 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 80000.0 98.0966 4700.0 120.0809 24000.0 127.0863 2400.0 145.097 1500.0 155.1178 9400.0 171.1124 4900.0 173.0917 2600.0 173.1287 6400.0 191.1022 2800.0 199.1438 11000.0 227.1388 29000.0 231.1125 10000.0 245.1492 49000.0 246.1443 5300.0 248.1389 28000.0 249.1234 4600.0 261.1589 7100.0 266.1499 3300.0 272.1596 3300.0 275.1747 4300.0 282.1805 7600.0 283.1758 4400.0 303.1699 240000.0 309.1916 76000.0 327.2019 34000.0 344.1962 84000.0 345.2126 70000.0 347.207 18000.0 350.1699 1100.0 356.1813 2500.0 361.2227 15000.0 362.2064 7900.0 379.2336 1900.0 393.2121 1400.0 415.2693 10000.0 419.2278 3700.0 421.2074 13000.0 422.2429 11000.0 433.2797 3200.0 443.2642 9500.0 450.2378 80000.0 451.241 7600.0 460.291 6400.0 475.2542 10000.0 492.2808 68000.0 493.2842 6100.0 503.2493 3400.0 507.2592 6400.0 514.3026 3400.0 533.2748 140000.0 534.2766 7800.0 534.2915 11000.0 550.3013 33000.0 551.2853 29000.0 552.2881 2700.0 587.3535 8100.0 588.3385 14000.0 589.341 1400.0 604.3482 30000.0 605.3648 70000.0 606.3683 7200.0 632.343 76000.0 633.3456 11000.0 649.3696 25000.0 650.3482 3200.0 650.3737 2600.0 652.3327 9200.0 669.3594 1400.0 678.348 10000.0 679.3445 1600.0 705.36 2400.0 721.3895 2900.0 723.3701 23000.0 723.4064 4900.0 724.3743 3200.0 749.4233 1600.0 751.4009 8200.0 END IONS BEGIN IONS SCANS=155 PEPMASS=796.3684 CHARGE=1 COLLISION_ENERGY=0.0 214.0859 1700.0 295.1105 2400.0 378.1472 1300.0 502.265 2200.0 525.2169 1700.0 624.2843 1300.0 695.32 2000.0 732.3702 5200.0 733.3744 1200.0 END IONS BEGIN IONS SCANS=156 PEPMASS=796.3685 CHARGE=1 COLLISION_ENERGY=0.0 214.0863 1600.0 295.1107 3900.0 442.1793 1600.0 502.2651 2600.0 525.2155 2800.0 624.2846 1800.0 631.3238 1700.0 649.3014 1200.0 695.3213 2400.0 732.3699 5200.0 END IONS BEGIN IONS SCANS=157 PEPMASS=798.4386 CHARGE=1 COLLISION_ENERGY=0.0 120.0804 6400.0 191.1024 3800.0 201.1235 4100.0 221.1279 1700.0 231.1127 2100.0 233.1644 4300.0 247.1435 1900.0 249.1227 3900.0 261.1593 19000.0 272.1597 5700.0 290.17 1200.0 315.2057 1900.0 318.1799 1500.0 330.1804 15000.0 332.196 2400.0 344.1963 6500.0 348.191 8000.0 355.0687 2700.0 360.2273 3900.0 362.2064 2200.0 363.2063 2300.0 373.2075 3900.0 391.2178 7300.0 401.2169 3200.0 408.2273 15000.0 416.2533 1700.0 419.2281 5700.0 431.2641 1800.0 443.2644 25000.0 450.2372 2200.0 461.2747 7200.0 477.2485 3400.0 481.2799 4100.0 491.2641 24000.0 495.2587 4300.0 509.2748 18000.0 514.3014 8300.0 520.275 3500.0 536.3218 3400.0 538.2858 16000.0 545.3113 4900.0 562.3374 10000.0 563.3217 5000.0 564.3165 4100.0 580.348 19000.0 590.3325 54000.0 591.3356 5600.0 608.3428 47000.0 609.3461 5400.0 616.3483 1700.0 633.3752 1700.0 634.3571 2600.0 651.3885 4700.0 661.3695 18000.0 662.3729 2500.0 679.38 13000.0 680.3837 2300.0 762.4171 1800.0 END IONS BEGIN IONS SCANS=158 PEPMASS=804.3951 CHARGE=1 COLLISION_ENERGY=0.0 72.0814 2900.0 77.2402 2400.0 86.0967 4500.0 86.5008 2400.0 91.5063 8700.0 98.0603 5100.0 110.3614 2500.0 119.0096 2200.0 120.0361 2500.0 120.0804 3500.0 125.6642 2700.0 129.9995 2700.0 171.1127 3800.0 175.9271 3000.0 186.7629 2500.0 190.053 150000.0 199.9012 3300.0 201.1232 2400.0 231.1124 7100.0 233.1642 17000.0 234.348 2800.0 235.0608 2800.0 249.1231 3900.0 254.1494 4900.0 255.485 2900.0 261.1594 16000.0 275.1418 15000.0 278.1855 3100.0 285.1262 3400.0 303.137 330000.0 304.1404 13000.0 330.1806 26000.0 338.1713 8600.0 344.1962 140000.0 345.1995 12000.0 355.1967 18000.0 362.2067 15000.0 367.2334 6900.0 373.223 3400.0 383.1912 4800.0 386.2072 4000.0 401.2177 19000.0 415.2338 7300.0 415.2697 16000.0 422.2101 49000.0 443.2645 53000.0 445.2434 12000.0 450.205 200000.0 451.2097 16000.0 461.2755 5600.0 469.2437 7100.0 484.2526 5700.0 486.3056 5800.0 502.265 60000.0 514.3016 59000.0 515.3061 6900.0 526.3015 9000.0 533.2419 230000.0 534.2453 29000.0 551.2524 35000.0 552.2547 3700.0 568.3112 7400.0 587.3536 11000.0 597.3381 16000.0 598.3209 4700.0 604.3154 34000.0 615.349 250000.0 616.3523 25000.0 632.3102 190000.0 633.3126 26000.0 634.2891 20000.0 678.4612 2700.0 703.3474 25000.0 704.3487 3900.0 705.3268 6800.0 733.3561 2900.0 740.3973 22000.0 741.3986 3100.0 762.708 3100.0 776.3972 10000.0 END IONS BEGIN IONS SCANS=159 PEPMASS=804.428 CHARGE=1 COLLISION_ENERGY=0.0 72.0815 4000.0 82.9333 3700.0 86.0951 6000.0 86.0968 120000.0 91.5083 4900.0 95.812 3700.0 105.4053 3700.0 112.2402 3600.0 120.0784 5000.0 120.0809 31000.0 141.9365 3700.0 149.1817 4100.0 155.1175 11000.0 173.0918 62000.0 183.1127 11000.0 190.0864 4300.0 195.6399 4000.0 199.9815 4100.0 201.1232 3500.0 221.8455 3900.0 229.2355 3800.0 231.1126 12000.0 232.2606 3700.0 248.1382 4900.0 254.1495 5800.0 272.1596 190000.0 275.1748 7600.0 282.1444 16000.0 285.1594 27000.0 298.1756 7900.0 302.1855 92000.0 303.1696 210000.0 304.1725 8100.0 310.1749 9000.0 330.1805 63000.0 344.1961 120000.0 355.1967 130000.0 362.2072 5400.0 370.2124 7100.0 373.2228 15000.0 378.302 4900.0 383.1916 19000.0 401.2175 160000.0 402.2214 11000.0 415.269 89000.0 422.2434 11000.0 432.2279 12000.0 443.2642 52000.0 450.238 61000.0 455.3019 9800.0 458.2751 160000.0 459.2792 13000.0 483.2973 7100.0 486.3055 18000.0 502.2649 350000.0 503.2689 33000.0 514.3015 100000.0 515.2639 30000.0 533.275 200000.0 534.2776 23000.0 550.3027 9800.0 551.2855 12000.0 554.3326 7600.0 571.3588 34000.0 586.3385 11000.0 597.3392 8700.0 604.348 470000.0 605.351 53000.0 615.3485 350000.0 616.3517 50000.0 632.3428 460000.0 633.3464 57000.0 662.3171 11000.0 675.3862 8400.0 682.5994 4500.0 685.3677 17000.0 703.3799 310000.0 704.3831 45000.0 705.3596 26000.0 733.3909 9400.0 742.4262 7400.0 745.3892 6600.0 760.4063 5800.0 760.4374 23000.0 776.4335 68000.0 777.4373 13000.0 END IONS BEGIN IONS SCANS=160 PEPMASS=804.4293 CHARGE=1 COLLISION_ENERGY=0.0 61.2991 1600.0 70.5226 2100.0 72.0813 4200.0 85.0392 1900.0 86.0969 81000.0 93.1483 1800.0 112.621 1800.0 120.0808 33000.0 121.9048 1900.0 133.0853 2000.0 133.5801 1800.0 143.9774 1800.0 171.1125 5800.0 173.0916 1900.0 173.1286 2600.0 183.1127 3500.0 184.0726 4100.0 193.5512 1900.0 201.123 4300.0 221.1277 2600.0 231.1125 15000.0 233.1649 5100.0 240.0809 2400.0 249.1229 5600.0 254.149 5600.0 261.1595 5800.0 267.1336 4000.0 272.1599 3200.0 275.1746 3700.0 282.1435 2800.0 303.1699 290000.0 304.1731 18000.0 330.1802 39000.0 338.1701 10000.0 344.1962 120000.0 345.1992 7600.0 355.197 24000.0 362.2062 9000.0 367.2333 3900.0 373.2223 2800.0 383.1918 9100.0 385.1852 2700.0 401.2175 22000.0 415.2688 6400.0 422.2429 14000.0 431.2286 7600.0 443.2648 24000.0 445.2435 7800.0 450.2381 110000.0 451.241 8600.0 461.2735 3200.0 474.2703 6900.0 484.2546 9000.0 486.3069 4900.0 502.2649 68000.0 503.2675 6900.0 507.2578 10000.0 514.3014 35000.0 533.2749 260000.0 534.2781 32000.0 551.2854 30000.0 552.2901 3100.0 570.3259 2600.0 587.3544 8100.0 589.8402 1900.0 597.3369 13000.0 604.3481 17000.0 615.3492 110000.0 616.3517 15000.0 632.3432 160000.0 633.346 26000.0 634.3229 17000.0 664.1648 1900.0 703.3807 18000.0 705.3594 6400.0 753.3973 1900.0 762.8727 2000.0 768.5951 2000.0 770.7873 2000.0 776.4337 3400.0 END IONS BEGIN IONS SCANS=161 PEPMASS=806.4104 CHARGE=1 COLLISION_ENERGY=0.0 86.0947 1700.0 86.0968 24000.0 104.0531 3100.0 120.0809 3800.0 171.1119 3900.0 173.0924 1500.0 183.1123 1800.0 191.1026 1400.0 215.0844 3000.0 231.1128 2000.0 245.1311 1100.0 261.1594 1300.0 272.1599 6500.0 275.1753 1300.0 286.1577 1000.0 287.1416 38000.0 290.1701 4400.0 303.1698 49000.0 314.1534 3900.0 328.1681 24000.0 330.1805 3400.0 344.1961 28000.0 345.1995 3700.0 355.1967 3400.0 373.2074 11000.0 373.2198 1200.0 385.1893 2100.0 388.6855 3100.0 399.2414 2100.0 401.2177 2500.0 406.2144 4100.0 427.2358 4300.0 434.2098 25000.0 435.2137 2200.0 443.2644 6400.0 476.2517 1400.0 486.2368 3100.0 491.231 2300.0 492.2808 1300.0 498.273 3600.0 499.2372 1100.0 504.2475 13000.0 514.3024 4300.0 517.2469 88000.0 518.2498 8100.0 520.275 8100.0 535.2582 10000.0 588.3198 11000.0 589.3377 1600.0 599.3201 3600.0 615.3498 4200.0 616.3152 58000.0 617.3333 26000.0 633.3593 28000.0 634.3262 4900.0 636.305 5800.0 687.3515 12000.0 688.3547 1500.0 705.3636 4500.0 707.343 7000.0 707.3726 1700.0 716.3595 7600.0 717.3636 2500.0 735.3724 4800.0 760.4028 1500.0 778.4144 8500.0 779.4191 1200.0 END IONS BEGIN IONS SCANS=162 PEPMASS=806.407 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 62000.0 120.0807 26000.0 120.0837 1100.0 155.0814 1100.0 162.0908 1100.0 173.0922 4700.0 185.0919 14000.0 190.0858 1600.0 203.1021 1900.0 231.1122 4600.0 233.1644 4900.0 238.1179 1800.0 249.1228 4000.0 256.1285 10000.0 261.1595 9200.0 268.1654 2200.0 274.139 2500.0 275.1744 3600.0 288.1331 1600.0 303.17 220000.0 304.1732 12000.0 314.1489 6200.0 332.1597 19000.0 339.1658 6200.0 344.196 32000.0 357.1761 20000.0 359.1703 1800.0 362.2069 5000.0 367.16 1800.0 385.1725 3500.0 385.1846 3700.0 403.1971 6100.0 415.1971 5300.0 422.243 12000.0 427.2334 7700.0 445.2438 23000.0 446.2462 2600.0 450.2379 96000.0 451.2408 9000.0 460.2178 5900.0 468.2226 3500.0 486.2337 20000.0 498.2701 6900.0 504.2443 58000.0 505.2478 6900.0 516.2805 13000.0 528.2803 3500.0 533.2748 52000.0 534.2779 5400.0 551.2851 15000.0 573.301 3600.0 581.3062 5600.0 589.3329 4200.0 590.2964 3100.0 599.3178 21000.0 606.3273 3400.0 616.3121 22000.0 617.3282 140000.0 618.3314 18000.0 634.3223 73000.0 635.3262 10000.0 652.3326 1600.0 661.3342 1200.0 687.3489 9200.0 705.3583 5200.0 717.3582 4500.0 762.4152 1000.0 770.3853 5600.0 778.4126 2700.0 END IONS BEGIN IONS SCANS=163 PEPMASS=806.4647 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7800.0 120.0806 1500.0 191.1021 1300.0 201.1236 1800.0 269.1853 8900.0 272.1601 4100.0 296.1961 1500.0 303.1698 28000.0 304.1734 2900.0 310.2119 5300.0 328.2226 1100.0 330.1805 1000.0 344.1961 4000.0 373.2073 2700.0 385.2435 2400.0 388.2588 3100.0 391.2179 3000.0 409.2804 2700.0 416.2536 39000.0 417.2569 2200.0 419.2284 1100.0 427.2912 1600.0 443.2649 1500.0 451.2085 2000.0 473.2757 6200.0 480.3177 1100.0 489.3065 1300.0 498.3275 2300.0 499.2906 66000.0 500.2939 6800.0 504.3018 2800.0 517.2468 1400.0 517.3011 21000.0 518.3036 2400.0 534.2473 1900.0 570.3639 1300.0 572.3425 2100.0 598.3589 59000.0 599.3607 7000.0 615.3157 1200.0 616.3185 4800.0 616.3688 4100.0 617.3204 1600.0 617.3865 7400.0 633.313 3100.0 651.3709 3100.0 669.3954 1200.0 687.4069 2400.0 END IONS BEGIN IONS SCANS=164 PEPMASS=808.4235 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 9700.0 86.0967 1300.0 120.0809 3700.0 171.1128 1300.0 231.1123 2700.0 272.1602 1900.0 289.154 32000.0 290.1572 1400.0 290.1705 1600.0 303.1699 7800.0 330.1805 20000.0 331.1836 1600.0 344.1962 3100.0 348.1909 1100.0 355.1976 1300.0 373.2072 3300.0 401.2024 1100.0 401.217 3000.0 401.2537 1800.0 419.2281 1400.0 429.2485 3200.0 436.2221 9700.0 450.2377 8300.0 492.28 1100.0 500.2855 3000.0 502.2644 2900.0 519.2592 26000.0 520.277 9500.0 533.2748 9800.0 537.2695 3500.0 551.285 3500.0 590.3336 3000.0 591.3483 1400.0 601.3329 2500.0 618.3272 17000.0 619.3447 20000.0 620.347 1400.0 632.3427 8900.0 638.3164 1400.0 689.3649 3600.0 690.3665 1100.0 707.3732 1600.0 709.3529 1500.0 737.3837 1200.0 780.4277 2000.0 END IONS BEGIN IONS SCANS=165 PEPMASS=808.4229 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0808 11000.0 157.097 4100.0 173.0913 1800.0 231.1125 6000.0 231.1333 1100.0 233.1645 1700.0 240.1339 1400.0 249.1229 1100.0 258.1445 7100.0 261.1591 2500.0 275.1744 1700.0 276.1548 3300.0 288.1697 1400.0 295.1756 2000.0 303.1699 110000.0 304.1728 4300.0 316.1648 11000.0 331.1967 3700.0 341.1812 4700.0 344.1962 47000.0 359.1917 9700.0 362.2067 2100.0 387.1871 2200.0 387.2019 6600.0 401.2543 2700.0 405.2131 1900.0 422.2434 4100.0 429.2489 9400.0 444.2594 1600.0 450.2379 29000.0 451.2416 2500.0 472.291 1100.0 478.2649 2400.0 488.2496 8700.0 500.2855 7800.0 506.26 29000.0 507.2613 4500.0 518.2977 2000.0 533.2749 75000.0 534.2783 7900.0 550.301 1100.0 551.285 8800.0 552.2878 1400.0 583.3221 1300.0 590.3323 7800.0 591.3501 4800.0 601.3331 11000.0 618.3273 44000.0 619.3445 52000.0 620.3469 6700.0 635.3538 1500.0 636.3372 3700.0 652.3329 4400.0 689.3641 10000.0 690.3672 1200.0 707.3744 3400.0 709.3895 1400.0 723.3691 2500.0 737.3862 4800.0 763.402 2100.0 780.4274 6600.0 END IONS BEGIN IONS SCANS=166 PEPMASS=808.4232 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0808 11000.0 157.097 4100.0 173.0913 1800.0 231.1125 6000.0 231.1333 1100.0 233.1645 1700.0 240.1339 1400.0 249.1229 1100.0 258.1445 7100.0 261.1591 2500.0 275.1744 1700.0 276.1548 3300.0 288.1697 1400.0 295.1756 2000.0 303.1699 110000.0 304.1728 4300.0 316.1648 11000.0 331.1967 3700.0 341.1812 4700.0 344.1962 47000.0 359.1917 9700.0 362.2067 2100.0 387.1871 2200.0 387.2019 6600.0 401.2543 2700.0 405.2131 1900.0 422.2434 4100.0 429.2489 9400.0 444.2594 1600.0 450.2379 29000.0 451.2416 2500.0 472.291 1100.0 478.2649 2400.0 488.2496 8700.0 500.2855 7800.0 506.26 29000.0 507.2613 4500.0 518.2977 2000.0 533.2749 75000.0 534.2783 7900.0 550.301 1100.0 551.285 8800.0 552.2878 1400.0 583.3221 1300.0 590.3323 7800.0 591.3501 4800.0 601.3331 11000.0 618.3273 44000.0 619.3445 52000.0 620.3469 6700.0 635.3538 1500.0 636.3372 3700.0 652.3329 4400.0 689.3641 10000.0 690.3672 1200.0 707.3744 3400.0 709.3895 1400.0 723.3691 2500.0 737.3862 4800.0 763.402 2100.0 780.4274 6600.0 END IONS BEGIN IONS SCANS=167 PEPMASS=808.4228 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3600.0 86.0968 57000.0 91.5082 1100.0 118.0862 1300.0 120.0807 16000.0 159.0763 1200.0 162.0913 1300.0 171.1127 6200.0 177.0863 1100.0 190.0864 1900.0 191.1031 1400.0 231.1129 8900.0 233.1646 3600.0 240.134 1200.0 258.1442 3900.0 261.1594 5900.0 272.1599 4400.0 275.1747 2300.0 276.1548 4800.0 290.1699 3200.0 303.17 170000.0 304.1731 7900.0 316.1644 6600.0 330.1806 34000.0 341.1817 4800.0 344.1963 55000.0 359.1918 12000.0 360.1921 1100.0 362.2062 1300.0 387.1869 3100.0 387.2014 2000.0 401.2178 4100.0 415.2693 3200.0 419.2287 1900.0 422.2432 6000.0 429.2497 5300.0 443.2653 9800.0 450.238 44000.0 451.2414 5300.0 478.2653 3700.0 488.2497 10000.0 506.2603 43000.0 507.2626 5900.0 514.3013 5900.0 519.2594 29000.0 533.275 95000.0 534.278 11000.0 551.286 6900.0 552.2901 1200.0 574.3218 1100.0 583.322 1800.0 590.3318 2300.0 591.3487 6900.0 601.3333 9100.0 618.3272 16000.0 619.3439 97000.0 620.347 8700.0 632.3433 44000.0 638.3165 9000.0 650.3531 2000.0 689.3652 1700.0 703.3806 7100.0 709.3542 6900.0 709.3909 2200.0 721.3906 1800.0 737.3855 6300.0 762.4175 1500.0 763.4017 2100.0 780.4272 10000.0 781.431 1300.0 END IONS BEGIN IONS SCANS=168 PEPMASS=808.4234 CHARGE=1 COLLISION_ENERGY=0.0 62.8567 8300.0 64.061 8500.0 66.6005 9600.0 68.8357 8000.0 72.0812 8900.0 86.0968 500000.0 119.4382 9200.0 120.0781 14000.0 120.0808 120000.0 138.0783 8700.0 157.0969 14000.0 159.0767 12000.0 160.8328 9900.0 162.0913 11000.0 176.4185 9200.0 190.0862 15000.0 215.9679 7700.0 218.4346 7500.0 218.8664 9100.0 227.4171 8400.0 231.1127 79000.0 233.1646 29000.0 258.1441 91000.0 261.1595 19000.0 269.4958 9200.0 275.1745 27000.0 276.1549 98000.0 295.1766 12000.0 303.1699 1100000.0 304.1736 59000.0 330.1812 95000.0 331.1971 28000.0 344.1964 600000.0 345.2 43000.0 359.1916 46000.0 387.1861 26000.0 387.2018 23000.0 415.2703 25000.0 422.243 46000.0 443.2639 78000.0 444.2608 17000.0 450.2381 180000.0 451.2422 27000.0 470.2386 10000.0 478.2652 25000.0 488.2499 85000.0 489.252 15000.0 500.2859 26000.0 506.2604 300000.0 507.2623 29000.0 533.275 700000.0 534.256 17000.0 534.2784 65000.0 551.2857 34000.0 562.1536 9400.0 591.3495 31000.0 592.3531 9100.0 601.3333 84000.0 604.3482 60000.0 619.3441 730000.0 620.3477 75000.0 632.3433 280000.0 633.3455 29000.0 689.3646 53000.0 709.3536 33000.0 710.4407 8900.0 755.6345 8900.0 762.4156 12000.0 763.4036 11000.0 780.4272 47000.0 END IONS BEGIN IONS SCANS=169 PEPMASS=810.4032 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4900.0 120.0808 2500.0 231.1131 1100.0 261.1595 1300.0 303.1697 24000.0 304.1732 1200.0 321.1075 1200.0 330.1808 2900.0 344.1961 8600.0 420.176 1600.0 422.2429 1700.0 434.1913 9600.0 443.2644 2900.0 450.2377 11000.0 451.2413 1000.0 491.2134 2500.0 514.3018 2600.0 533.2749 33000.0 534.2787 4000.0 576.3012 1200.0 604.2955 1100.0 621.3226 4100.0 623.2702 6600.0 632.343 30000.0 633.3462 3300.0 END IONS BEGIN IONS SCANS=170 PEPMASS=812.4186 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 91.5062 1100.0 120.0809 1100.0 244.129 1500.0 302.1494 1600.0 303.1695 11000.0 344.1966 1800.0 362.2063 1500.0 363.1868 1200.0 391.1966 1500.0 415.2335 1400.0 450.2377 11000.0 492.2439 1200.0 507.2593 2400.0 510.2541 1900.0 533.2745 9500.0 534.2778 1200.0 551.2857 4600.0 604.3121 11000.0 605.3131 1000.0 622.3215 1900.0 623.3386 4100.0 END IONS BEGIN IONS SCANS=171 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=172 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=173 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=174 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=175 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=176 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS 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1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=181 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=182 PEPMASS=815.214 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=183 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=184 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=185 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=186 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=187 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=188 PEPMASS=815.2134 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=189 PEPMASS=815.2131 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 2900.0 221.0843 1600.0 225.0424 2100.0 239.0946 6600.0 281.0506 1100.0 285.0092 1600.0 299.0612 11000.0 355.0693 28000.0 356.068 2300.0 359.0272 4500.0 373.0799 1400.0 415.036 3300.0 429.0874 1800.0 END IONS BEGIN IONS SCANS=190 PEPMASS=815.2135 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1700.0 167.0549 2200.0 225.0426 1300.0 239.0944 5600.0 285.009 1300.0 299.0613 8100.0 355.0691 21000.0 356.0678 1700.0 359.0274 3700.0 373.0795 1000.0 415.0366 2300.0 429.0881 1700.0 END IONS BEGIN IONS SCANS=191 PEPMASS=815.2142 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=192 PEPMASS=815.2139 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=193 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=194 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1300.0 167.0556 1900.0 225.0428 1100.0 239.0948 5800.0 281.0497 1200.0 285.009 1200.0 299.0613 9500.0 355.0694 23000.0 356.0688 1800.0 359.0274 4000.0 373.0796 1900.0 415.0356 3400.0 429.0882 1400.0 END IONS BEGIN IONS SCANS=195 PEPMASS=815.2142 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1800.0 167.0553 2200.0 221.0842 1400.0 225.0425 1200.0 239.0945 5100.0 281.0508 1100.0 285.0092 1500.0 299.0611 9300.0 355.0692 23000.0 356.0681 1700.0 359.0277 4000.0 373.08 1400.0 415.0356 2800.0 429.088 2200.0 END IONS BEGIN IONS SCANS=196 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=197 PEPMASS=815.2145 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=198 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=199 PEPMASS=815.2149 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=200 PEPMASS=815.215 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1200.0 167.0551 2300.0 239.0945 6000.0 285.0092 2100.0 299.061 9100.0 355.0691 22000.0 356.069 2300.0 359.0278 4300.0 373.0801 1300.0 415.0353 2800.0 429.0883 2100.0 END IONS BEGIN IONS SCANS=201 PEPMASS=815.216 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1200.0 167.0551 2300.0 239.0945 6000.0 285.0092 2100.0 299.061 9100.0 355.0691 22000.0 356.069 2300.0 359.0278 4300.0 373.0801 1300.0 415.0353 2800.0 429.0883 2100.0 END IONS BEGIN IONS SCANS=202 PEPMASS=815.2136 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=203 PEPMASS=815.2137 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=204 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=205 PEPMASS=815.2138 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=206 PEPMASS=815.2139 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=207 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=208 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=209 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=210 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=211 PEPMASS=815.2155 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=212 PEPMASS=815.2155 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=213 PEPMASS=815.2151 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=214 PEPMASS=818.4107 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3200.0 120.0809 1500.0 204.0689 19000.0 233.1647 1700.0 239.0945 1600.0 261.1598 2700.0 299.0617 1900.0 303.1698 6700.0 317.1521 21000.0 318.1557 1100.0 330.1804 2000.0 344.196 13000.0 351.1656 3300.0 355.0693 4700.0 355.1969 1300.0 356.0697 3000.0 357.0652 2800.0 415.2691 1700.0 436.2258 2700.0 443.2646 5200.0 450.2376 1100.0 459.2114 1100.0 464.2208 14000.0 498.2334 4100.0 502.265 4800.0 514.3011 5400.0 544.3115 1000.0 547.2573 13000.0 548.2603 1000.0 565.2668 2000.0 587.353 1500.0 597.3388 2100.0 611.3186 1900.0 615.3489 23000.0 616.352 3100.0 618.33 2100.0 646.3255 12000.0 647.3279 1900.0 717.3625 2200.0 754.4108 2300.0 END IONS BEGIN IONS SCANS=215 PEPMASS=818.4447 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 10000.0 91.508 1400.0 120.0809 4000.0 184.073 12000.0 185.0763 1200.0 231.1127 1700.0 233.1646 1200.0 239.0943 1800.0 261.1594 1400.0 299.0616 2400.0 300.0612 1300.0 301.0582 1100.0 303.1698 18000.0 317.1854 18000.0 330.1798 3300.0 344.1961 22000.0 355.0694 4400.0 355.1969 1700.0 356.0693 3000.0 357.0652 2700.0 362.2068 1200.0 369.2129 1700.0 401.2179 1800.0 415.2334 2500.0 443.2644 2100.0 445.2435 1600.0 450.238 7500.0 457.2796 1500.0 464.2534 6400.0 502.2647 4300.0 514.3012 2800.0 516.2806 5000.0 533.2748 22000.0 534.2781 2700.0 547.2905 14000.0 551.2847 2900.0 565.3006 2100.0 597.3383 1200.0 615.3489 9500.0 616.3534 1600.0 618.3646 2000.0 629.3647 7800.0 646.3586 20000.0 647.36 2300.0 717.3959 2600.0 END IONS BEGIN IONS SCANS=216 PEPMASS=820.4237 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1700.0 120.0809 2700.0 130.0863 4300.0 162.0912 1800.0 190.0857 6100.0 231.112 3000.0 269.1854 1500.0 272.1598 1200.0 303.1699 5900.0 319.1646 11000.0 330.1806 8600.0 344.1969 1500.0 355.0692 1000.0 355.1976 1800.0 360.191 3600.0 383.1917 1600.0 401.2176 3600.0 416.254 7800.0 431.2283 1300.0 439.255 1100.0 459.2589 1600.0 466.2329 21000.0 467.2368 2000.0 473.2751 2000.0 484.2549 1300.0 499.2906 12000.0 502.2652 13000.0 503.2685 1300.0 517.3007 3800.0 530.2962 4800.0 531.2596 4800.0 549.2695 10000.0 550.2724 1100.0 567.2801 1600.0 598.359 14000.0 599.3608 1600.0 613.3335 1600.0 630.3268 1100.0 631.3438 24000.0 632.3486 2200.0 648.3383 11000.0 649.34 1300.0 719.3742 2900.0 END IONS BEGIN IONS SCANS=217 PEPMASS=820.4232 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 18000.0 120.0807 1200.0 130.0974 1400.0 136.0756 1900.0 146.06 6600.0 171.1127 1500.0 190.0863 1500.0 229.0966 5000.0 233.1647 1700.0 247.1073 9800.0 254.1494 8300.0 259.1434 4900.0 272.1599 1800.0 277.1541 1400.0 303.1698 28000.0 304.1732 1900.0 328.1646 7900.0 330.1432 1900.0 344.1959 2100.0 346.1754 8200.0 355.197 6500.0 360.191 19000.0 361.1945 1500.0 381.1762 1900.0 383.1917 1100.0 399.2021 5800.0 417.2123 3900.0 424.2543 1100.0 443.2281 36000.0 444.2318 3300.0 447.2227 1400.0 448.2224 6600.0 459.2112 1300.0 459.2591 4100.0 461.2387 4500.0 466.2332 6500.0 490.2651 1000.0 500.2492 11000.0 512.286 3400.0 518.2599 15000.0 531.2596 11000.0 542.296 2500.0 549.2693 11000.0 550.2734 1000.0 567.2803 1600.0 613.3334 15000.0 630.3278 7800.0 631.3439 28000.0 632.3462 3000.0 648.3381 20000.0 649.3406 2400.0 701.3644 3100.0 719.3761 1700.0 END IONS BEGIN IONS SCANS=218 PEPMASS=820.4237 CHARGE=1 COLLISION_ENERGY=0.0 61.6272 8100.0 65.6814 8100.0 72.081 14000.0 86.0968 470000.0 91.3506 8300.0 95.826 9200.0 105.8736 8700.0 106.4417 8400.0 109.2749 8200.0 120.0808 230000.0 132.3681 7800.0 145.7168 8700.0 168.1442 8100.0 171.113 39000.0 173.1282 19000.0 174.4976 9100.0 178.0856 16000.0 183.113 11000.0 201.1232 31000.0 206.0808 11000.0 228.1339 14000.0 231.1126 130000.0 233.1644 24000.0 249.123 24000.0 254.1492 26000.0 261.1593 12000.0 267.1336 30000.0 272.16 23000.0 285.1593 11000.0 291.1697 59000.0 303.1697 51000.0 319.1648 1900000.0 320.1683 99000.0 330.1807 230000.0 338.171 61000.0 344.1962 310000.0 355.1968 150000.0 362.2062 12000.0 367.2351 17000.0 374.168 9600.0 383.1913 33000.0 385.1861 12000.0 401.2179 120000.0 413.218 23000.0 415.2697 19000.0 431.2281 55000.0 438.2373 62000.0 443.2646 87000.0 457.2426 19000.0 466.233 730000.0 467.2361 76000.0 474.2705 35000.0 484.2547 58000.0 486.3075 11000.0 502.2651 410000.0 503.2687 37000.0 514.3012 86000.0 523.254 73000.0 533.2742 39000.0 549.2698 2000000.0 550.273 210000.0 566.2966 12000.0 567.2804 200000.0 568.2834 25000.0 587.3543 15000.0 597.3394 18000.0 615.3491 270000.0 616.3527 29000.0 620.343 130000.0 622.3223 22000.0 648.3379 1100000.0 649.3416 140000.0 650.3177 110000.0 666.3478 32000.0 691.379 14000.0 719.3752 170000.0 720.3792 24000.0 721.3541 34000.0 721.692 9200.0 722.3577 8900.0 749.3847 12000.0 768.797 7700.0 792.4284 46000.0 END IONS BEGIN IONS SCANS=219 PEPMASS=820.4598 CHARGE=1 COLLISION_ENERGY=0.0 59.828 1400.0 73.0158 1500.0 80.7645 1500.0 85.1208 1500.0 86.0968 65000.0 88.7517 1600.0 104.6193 1500.0 106.5868 1800.0 120.0781 3000.0 120.0808 24000.0 129.1794 1700.0 135.7407 1600.0 157.1222 3200.0 161.7981 1900.0 171.1125 12000.0 173.1288 2000.0 176.44 1900.0 189.1228 2500.0 201.123 2200.0 209.7765 1600.0 231.1125 14000.0 231.479 1700.0 233.1644 6400.0 249.1231 4600.0 261.1596 3700.0 272.1595 9300.0 275.1743 3700.0 282.1443 1800.0 286.9197 1900.0 288.1909 7700.0 303.1698 190000.0 304.1732 8500.0 319.1645 29000.0 330.1804 21000.0 344.1962 99000.0 345.1996 6900.0 353.2174 2700.0 362.2062 8600.0 367.2337 3600.0 371.1911 3900.0 371.2281 6100.0 373.1863 2600.0 401.2174 9200.0 415.2335 2600.0 415.2698 5100.0 419.228 17000.0 422.2433 12000.0 443.264 17000.0 450.2381 97000.0 451.2413 7500.0 466.2328 12000.0 466.3018 4100.0 474.2341 24000.0 486.2699 5200.0 514.3012 15000.0 518.2961 15000.0 532.3115 15000.0 533.2748 180000.0 534.278 14000.0 549.2695 37000.0 550.2718 4700.0 551.2854 44000.0 552.2889 4800.0 567.2794 4000.0 569.3065 2900.0 587.3177 38000.0 604.3118 28000.0 631.3433 27000.0 631.3796 31000.0 632.3431 130000.0 633.3466 17000.0 648.3378 21000.0 650.3192 3200.0 650.3528 24000.0 651.3544 2800.0 666.3488 2100.0 675.3499 4200.0 703.3796 12000.0 705.3604 3200.0 719.3738 4900.0 721.3575 1900.0 721.3902 31000.0 722.3918 4600.0 758.3862 2700.0 761.5755 1900.0 776.3936 5400.0 792.428 2900.0 792.4619 6200.0 END IONS BEGIN IONS SCANS=220 PEPMASS=821.4216 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1100.0 303.1691 2200.0 344.1634 1200.0 450.2049 5200.0 502.2321 6100.0 533.2415 4400.0 615.3162 14000.0 616.3185 1700.0 632.3101 9000.0 633.3134 1700.0 707.391 1100.0 END IONS BEGIN IONS SCANS=221 PEPMASS=821.4307 CHARGE=1 COLLISION_ENERGY=0.0 68.9398 1900.0 72.0811 26000.0 74.0604 2700.0 86.0968 890000.0 91.5081 4100.0 98.5434 5600.0 105.8448 2700.0 120.0656 11000.0 120.0773 5500.0 120.0809 210000.0 136.0752 5200.0 143.1178 5400.0 162.0912 9500.0 171.1126 86000.0 173.0922 33000.0 183.1126 19000.0 190.0858 16000.0 191.1024 23000.0 201.1234 13000.0 231.1125 110000.0 233.1646 35000.0 245.1494 12000.0 246.1438 13000.0 249.1231 15000.0 254.1494 20000.0 261.1591 43000.0 272.1598 130000.0 275.1747 35000.0 285.1587 10000.0 290.1702 93000.0 302.1857 30000.0 303.1698 2300000.0 309.1908 26000.0 330.1805 230000.0 344.1963 1000000.0 345.2122 59000.0 350.1706 11000.0 355.1969 81000.0 358.1749 11000.0 360.1908 19000.0 362.2064 34000.0 373.2073 170000.0 401.2024 51000.0 401.2177 90000.0 415.2692 56000.0 419.2283 43000.0 422.2426 85000.0 443.2641 190000.0 450.2378 710000.0 458.2749 17000.0 466.2329 18000.0 468.2812 15000.0 486.3066 19000.0 492.2806 52000.0 502.2648 140000.0 507.2596 39000.0 514.3011 110000.0 520.2754 450000.0 532.3115 54000.0 533.2748 1900000.0 550.2722 21000.0 550.3005 15000.0 551.2849 220000.0 587.3531 13000.0 588.338 13000.0 597.338 23000.0 604.3478 180000.0 605.3641 81000.0 615.3485 140000.0 631.3429 37000.0 632.3428 1200000.0 633.3591 990000.0 650.3196 3700.0 650.353 69000.0 652.3322 100000.0 661.3535 4000.0 675.3851 5300.0 678.3474 6100.0 703.3795 240000.0 705.3583 10000.0 721.3902 80000.0 723.369 76000.0 723.4056 23000.0 733.3891 8900.0 751.4005 74000.0 776.4325 25000.0 777.4156 34000.0 780.4271 7100.0 786.4156 7100.0 794.4424 150000.0 END IONS BEGIN IONS SCANS=222 PEPMASS=821.455 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4400.0 120.081 2600.0 231.1127 1200.0 272.1599 2000.0 303.1699 27000.0 304.1732 1700.0 319.1648 1200.0 330.1806 2800.0 344.196 7100.0 348.1911 1200.0 355.197 4400.0 362.2068 1800.0 419.2284 6600.0 422.2429 2900.0 443.2645 2400.0 450.2381 30000.0 451.2419 3000.0 461.2752 1400.0 502.265 3100.0 507.2592 4700.0 514.3017 3400.0 532.3127 4500.0 533.2751 35000.0 534.2772 3500.0 551.2858 20000.0 552.2899 2400.0 597.3394 1400.0 604.3484 1100.0 606.3276 3100.0 615.3488 4000.0 632.3436 57000.0 632.3753 5900.0 633.3475 7100.0 650.3541 8700.0 703.3809 1400.0 721.3907 4000.0 732.3387 7600.0 760.4 2700.0 761.4034 1900.0 783.3373 1100.0 786.4162 1500.0 END IONS BEGIN IONS SCANS=223 PEPMASS=822.3858 CHARGE=1 COLLISION_ENERGY=0.0 62.7142 3800.0 72.0814 13000.0 86.0968 130000.0 87.1002 5400.0 100.0391 3400.0 104.0531 190000.0 120.0809 79000.0 131.6581 3400.0 148.8018 3500.0 171.1127 20000.0 173.0917 4200.0 175.6979 4000.0 179.4424 3700.0 183.1131 5600.0 191.1021 4000.0 201.1233 11000.0 209.6976 3400.0 231.1125 44000.0 233.1641 4600.0 248.1387 4100.0 249.1232 14000.0 251.1208 14000.0 254.1495 12000.0 261.1595 8300.0 272.16 25000.0 279.1154 12000.0 290.17 8200.0 303.1701 240000.0 319.1649 64000.0 320.1682 49000.0 321.1262 410000.0 330.1803 76000.0 344.1963 140000.0 355.197 42000.0 362.1524 130000.0 373.2078 21000.0 380.1631 8100.0 383.1918 14000.0 385.1892 5400.0 401.2174 49000.0 415.2707 11000.0 419.2287 11000.0 431.2279 10000.0 440.1995 32000.0 443.2644 26000.0 450.2377 70000.0 461.2208 28000.0 466.2333 21000.0 467.2361 32000.0 468.1945 160000.0 469.1968 12000.0 502.265 89000.0 520.2756 50000.0 532.2576 34000.0 533.2751 220000.0 534.2771 25000.0 549.2699 27000.0 550.2734 74000.0 551.2312 400000.0 551.2742 21000.0 551.2834 19000.0 552.2341 42000.0 569.2418 59000.0 615.3487 24000.0 622.3044 27000.0 632.3432 140000.0 633.3053 95000.0 633.3603 130000.0 649.3409 49000.0 650.2997 250000.0 650.3448 23000.0 651.3022 30000.0 652.2784 23000.0 652.3322 17000.0 668.3079 3900.0 703.3796 25000.0 721.3366 39000.0 721.3863 11000.0 723.315 5700.0 723.3693 8700.0 751.4005 12000.0 777.4189 4200.0 793.4336 4000.0 794.3892 8900.0 794.443 18000.0 795.4459 5700.0 END IONS BEGIN IONS SCANS=224 PEPMASS=822.4064 CHARGE=1 COLLISION_ENERGY=0.0 190.0529 11000.0 275.1418 1500.0 303.1367 20000.0 330.1803 1900.0 344.1962 15000.0 345.1986 1000.0 373.2078 1700.0 415.2689 1300.0 422.2103 3300.0 443.265 2500.0 450.2049 13000.0 514.3005 1700.0 520.2751 3700.0 533.2421 16000.0 534.2452 1300.0 551.2527 2000.0 604.315 3700.0 615.3486 2100.0 632.3101 12000.0 633.3127 1500.0 633.3594 22000.0 634.3628 2300.0 652.3003 1800.0 703.3464 2200.0 723.335 1100.0 751.3665 1200.0 758.4077 2200.0 794.4094 2500.0 END IONS BEGIN IONS SCANS=225 PEPMASS=822.4069 CHARGE=1 COLLISION_ENERGY=0.0 190.0529 11000.0 275.1418 1500.0 303.1367 20000.0 330.1803 1900.0 344.1962 15000.0 345.1986 1000.0 373.2078 1700.0 415.2689 1300.0 422.2103 3300.0 443.265 2500.0 450.2049 13000.0 514.3005 1700.0 520.2751 3700.0 533.2421 16000.0 534.2452 1300.0 551.2527 2000.0 604.315 3700.0 615.3486 2100.0 632.3101 12000.0 633.3127 1500.0 633.3594 22000.0 634.3628 2300.0 652.3003 1800.0 703.3464 2200.0 723.335 1100.0 751.3665 1200.0 758.4077 2200.0 794.4094 2500.0 END IONS BEGIN IONS SCANS=226 PEPMASS=822.4069 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1900.0 231.0793 5700.0 261.1262 1900.0 303.1697 8700.0 330.1473 2300.0 344.1631 8500.0 358.2119 1200.0 443.231 2600.0 450.2047 8800.0 492.2479 1000.0 502.2323 1200.0 514.268 1000.0 520.2422 11000.0 533.2418 15000.0 534.2449 1500.0 551.2523 1900.0 569.329 1600.0 604.3144 1700.0 605.3309 1200.0 615.3173 1300.0 632.3099 13000.0 633.3267 26000.0 634.328 2600.0 703.3472 1300.0 723.3372 1300.0 751.3657 1100.0 758.4053 2800.0 794.409 3100.0 END IONS BEGIN IONS SCANS=227 PEPMASS=822.4387 CHARGE=1 COLLISION_ENERGY=0.0 86.0953 1500.0 86.0968 12000.0 91.5082 2000.0 120.0809 6000.0 130.0498 1300.0 161.9371 1100.0 173.0919 18000.0 190.1983 1100.0 201.1235 1200.0 231.1128 1300.0 233.1649 1000.0 249.123 2600.0 261.159 1500.0 272.1598 17000.0 273.1635 1200.0 302.1862 2500.0 303.1696 58000.0 304.173 2400.0 330.1803 6600.0 344.1961 20000.0 345.1997 2300.0 355.1977 2000.0 362.2069 7600.0 373.2073 22000.0 374.2103 1700.0 401.2181 2800.0 415.2702 1800.0 419.2287 3600.0 422.2424 6600.0 432.2279 1200.0 443.2639 6300.0 450.2377 57000.0 451.2417 5000.0 461.275 4200.0 507.2599 10000.0 514.3025 4200.0 520.2751 22000.0 523.2921 4100.0 533.2749 88000.0 534.2776 8900.0 551.2852 39000.0 552.288 3000.0 588.3164 1100.0 604.348 12000.0 606.3276 2900.0 615.3491 3500.0 632.3429 81000.0 633.3589 15000.0 634.3629 2100.0 650.3542 7200.0 651.3622 1100.0 703.3804 11000.0 721.389 1700.0 778.4135 1800.0 END IONS BEGIN IONS SCANS=228 PEPMASS=822.4387 CHARGE=1 COLLISION_ENERGY=0.0 61.1718 6100.0 63.7413 6100.0 72.0812 11000.0 84.1196 6400.0 86.0968 340000.0 91.5063 12000.0 102.0648 5400.0 104.0052 6000.0 104.3668 6300.0 105.8002 6100.0 120.081 92000.0 150.4808 6600.0 171.1128 39000.0 173.0921 22000.0 183.1125 14000.0 186.9531 7200.0 191.1026 8800.0 201.1236 8200.0 217.2448 6600.0 231.1125 61000.0 233.1648 22000.0 245.149 7200.0 246.1441 9700.0 261.1591 26000.0 261.9436 6600.0 272.1599 57000.0 275.1747 17000.0 277.5875 6200.0 290.1707 45000.0 303.1699 850000.0 304.173 75000.0 319.165 26000.0 330.1804 110000.0 344.1963 470000.0 345.1996 46000.0 355.1971 39000.0 362.2065 18000.0 373.2076 66000.0 375.7608 6400.0 401.2025 26000.0 401.2177 42000.0 415.2698 38000.0 422.243 48000.0 443.265 77000.0 444.2678 19000.0 450.238 290000.0 451.2405 37000.0 458.275 9900.0 467.2366 12000.0 486.3058 8800.0 492.28 24000.0 502.2656 83000.0 507.2593 18000.0 514.3024 58000.0 520.2757 220000.0 533.275 780000.0 534.2773 120000.0 550.2728 29000.0 551.2858 79000.0 552.2885 20000.0 567.2665 6900.0 598.3428 6800.0 604.3479 79000.0 605.3671 32000.0 615.3493 85000.0 632.3434 460000.0 633.361 440000.0 634.3632 63000.0 650.3538 36000.0 652.3323 40000.0 703.3807 86000.0 704.382 16000.0 721.3901 36000.0 722.3917 9600.0 723.3679 29000.0 723.4045 12000.0 751.4014 31000.0 777.4169 17000.0 794.443 60000.0 795.4448 17000.0 848.0525 8000.0 END IONS BEGIN IONS SCANS=229 PEPMASS=822.4369 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 8200.0 120.0809 3100.0 171.1125 1200.0 173.0919 2600.0 184.0732 6300.0 231.1118 1000.0 272.16 6200.0 302.1859 1500.0 303.1699 30000.0 304.1726 2000.0 330.1801 4100.0 344.1961 15000.0 345.1998 1300.0 355.1969 5900.0 373.2072 5000.0 401.2176 3600.0 415.27 2700.0 422.2426 1500.0 443.2646 4300.0 450.2377 11000.0 451.241 1700.0 458.2756 2300.0 502.265 15000.0 514.3019 2900.0 519.4034 2100.0 520.2756 9500.0 533.2749 35000.0 534.2781 4500.0 551.2841 2100.0 562.5538 2000.0 604.3481 9000.0 615.3487 18000.0 616.3517 3800.0 632.343 31000.0 633.3609 23000.0 634.3645 2500.0 650.3519 1300.0 652.3317 1400.0 703.3792 6700.0 705.3583 1300.0 763.4199 2200.0 764.4221 1200.0 776.4323 5000.0 786.4161 1100.0 END IONS BEGIN IONS SCANS=230 PEPMASS=823.4013 CHARGE=2 COLLISION_ENERGY=0.0 118.3903 1500.0 120.0807 10000.0 121.0835 1400.0 125.873 1600.0 137.2314 1500.0 142.9836 1600.0 157.421 1600.0 157.7522 1700.0 165.8106 1600.0 169.9526 1700.0 173.0922 1700.0 189.6617 1800.0 207.2968 2500.0 214.7732 2000.0 231.1126 3700.0 232.0612 2000.0 232.1159 2700.0 233.1645 2300.0 257.1302 2000.0 265.681 1800.0 272.1599 3500.0 303.1698 80000.0 304.1735 55000.0 305.1763 15000.0 330.1802 16000.0 344.1963 30000.0 345.2001 27000.0 355.1973 13000.0 356.2003 7000.0 357.1698 59000.0 357.6721 19000.0 371.1673 7100.0 371.6686 4300.0 401.2183 9400.0 421.6914 1500000.0 422.1928 760000.0 422.6943 140000.0 423.196 10000.0 444.2683 9900.0 450.2383 53000.0 451.2418 55000.0 452.2447 39000.0 453.2491 3100.0 462.2789 3800.0 485.2584 2400.0 502.2657 51000.0 503.2689 54000.0 504.2714 40000.0 533.2757 60000.0 534.2789 97000.0 535.2819 60000.0 551.2849 15000.0 551.3048 2700.0 552.2367 2700.0 552.2897 20000.0 553.2916 15000.0 599.3465 4400.0 615.3494 62000.0 616.353 94000.0 617.3559 100000.0 632.3438 76000.0 633.3467 140000.0 634.3486 160000.0 650.3544 6700.0 651.3575 17000.0 652.3599 20000.0 660.9374 2900.0 703.3801 16000.0 704.3842 17000.0 705.3869 16000.0 713.331 2900.0 722.3956 4200.0 735.3992 8500.0 773.3817 9300.0 778.4399 7800.0 788.4232 8300.0 795.446 6900.0 798.3491 5900.0 798.3866 8700.0 1214.7986 3100.0 1375.9891 3500.0 1543.0762 3300.0 1574.8777 3800.0 1583.3353 3500.0 1680.6454 3700.0 END IONS BEGIN IONS SCANS=231 PEPMASS=826.3768 CHARGE=1 COLLISION_ENERGY=0.0 679.2911 1100.0 762.3782 62000.0 763.3813 8100.0 END IONS BEGIN IONS SCANS=232 PEPMASS=826.4338 CHARGE=1 COLLISION_ENERGY=0.0 67.4032 1100.0 72.0813 2300.0 86.0947 2000.0 86.0967 26000.0 91.5083 2000.0 95.8443 1200.0 104.3404 1000.0 114.5514 1000.0 120.0808 14000.0 120.1884 1000.0 122.8717 1100.0 142.681 1100.0 159.0763 2100.0 162.0903 1500.0 173.1287 2900.0 177.0864 2400.0 195.6445 1000.0 201.1233 11000.0 203.1897 1100.0 221.1279 2500.0 231.1123 5000.0 233.1643 2300.0 249.1229 5700.0 258.1442 10000.0 261.1588 4300.0 264.9202 1100.0 275.1743 2000.0 276.1554 2800.0 277.3633 1200.0 303.1698 150000.0 304.1729 7300.0 330.1804 17000.0 344.196 55000.0 345.1993 3900.0 348.1909 4500.0 353.2195 1100.0 359.1916 15000.0 362.2066 14000.0 377.2024 25000.0 377.2157 2400.0 389.254 1400.0 405.2122 7200.0 415.2699 3200.0 422.2427 14000.0 429.249 3900.0 433.2798 4400.0 443.2644 16000.0 450.2379 140000.0 451.2413 11000.0 461.2744 9000.0 461.2975 1200.0 463.0925 1000.0 490.3012 1600.0 507.2592 28000.0 519.2592 23000.0 524.2708 26000.0 533.2747 200000.0 534.2776 20000.0 537.2698 11000.0 551.2853 68000.0 552.2894 7800.0 606.326 5500.0 618.3271 16000.0 619.3452 12000.0 632.343 160000.0 633.3467 21000.0 637.3541 47000.0 650.3542 7500.0 695.3448 1200.0 707.3746 4300.0 744.7556 1200.0 762.3782 31000.0 762.6474 1400.0 763.3799 4900.0 790.4103 3400.0 END IONS BEGIN IONS SCANS=233 PEPMASS=826.4335 CHARGE=1 COLLISION_ENERGY=0.0 67.4032 1100.0 72.0813 2300.0 86.0947 2000.0 86.0967 26000.0 91.5083 2000.0 95.8443 1200.0 104.3404 1000.0 114.5514 1000.0 120.0808 14000.0 120.1884 1000.0 122.8717 1100.0 142.681 1100.0 159.0763 2100.0 162.0903 1500.0 173.1287 2900.0 177.0864 2400.0 195.6445 1000.0 201.1233 11000.0 203.1897 1100.0 221.1279 2500.0 231.1123 5000.0 233.1643 2300.0 249.1229 5700.0 258.1442 10000.0 261.1588 4300.0 264.9202 1100.0 275.1743 2000.0 276.1554 2800.0 277.3633 1200.0 303.1698 150000.0 304.1729 7300.0 330.1804 17000.0 344.196 55000.0 345.1993 3900.0 348.1909 4500.0 353.2195 1100.0 359.1916 15000.0 362.2066 14000.0 377.2024 25000.0 377.2157 2400.0 389.254 1400.0 405.2122 7200.0 415.2699 3200.0 422.2427 14000.0 429.249 3900.0 433.2798 4400.0 443.2644 16000.0 450.2379 140000.0 451.2413 11000.0 461.2744 9000.0 461.2975 1200.0 463.0925 1000.0 490.3012 1600.0 507.2592 28000.0 519.2592 23000.0 524.2708 26000.0 533.2747 200000.0 534.2776 20000.0 537.2698 11000.0 551.2853 68000.0 552.2894 7800.0 606.326 5500.0 618.3271 16000.0 619.3452 12000.0 632.343 160000.0 633.3467 21000.0 637.3541 47000.0 650.3542 7500.0 695.3448 1200.0 707.3746 4300.0 744.7556 1200.0 762.3782 31000.0 762.6474 1400.0 763.3799 4900.0 790.4103 3400.0 END IONS BEGIN IONS SCANS=234 PEPMASS=829.4182 CHARGE=1 COLLISION_ENERGY=0.0 184.0731 2400.0 207.2271 1100.0 421.6917 3600.0 428.6803 2000.0 428.6991 4400.0 699.3726 2100.0 727.3685 1600.0 END IONS BEGIN IONS SCANS=235 PEPMASS=831.3869 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 5300.0 161.9501 1100.0 165.2156 1100.0 171.1128 1200.0 184.0733 1700.0 197.4915 1100.0 201.1237 2000.0 221.0842 1000.0 231.1127 4700.0 233.1645 2100.0 239.095 2700.0 254.1494 2400.0 261.1591 1300.0 270.3564 1200.0 286.4807 1200.0 299.0613 5300.0 303.17 70000.0 304.1729 12000.0 329.6373 29000.0 330.1393 7600.0 330.1806 13000.0 344.1963 24000.0 355.0699 19000.0 355.197 13000.0 365.1562 45000.0 365.6576 17000.0 379.1535 20000.0 379.6548 8800.0 420.672 11000.0 429.1796 52000.0 429.6779 500000.0 430.1793 250000.0 430.6795 88000.0 431.1804 11000.0 450.2383 42000.0 451.2419 14000.0 467.7506 1500.0 474.2722 2200.0 476.162 1600.0 484.2549 2700.0 502.2655 50000.0 503.2694 14000.0 514.3022 15000.0 533.2756 75000.0 534.2787 21000.0 535.2827 3200.0 551.2859 17000.0 552.29 4000.0 561.2151 7600.0 562.2188 1800.0 587.3552 2700.0 597.338 3800.0 604.3491 8000.0 615.3497 84000.0 616.3533 29000.0 632.3438 100000.0 633.3472 43000.0 634.3231 9800.0 650.3533 10000.0 658.2683 23000.0 659.2712 9100.0 686.2632 29000.0 687.2662 12000.0 688.2637 5100.0 703.2892 4000.0 703.3817 21000.0 704.3846 9500.0 705.3601 2400.0 706.3651 2100.0 733.3911 3200.0 757.3011 5600.0 759.3 8100.0 776.4339 3900.0 786.4168 7100.0 796.3474 8700.0 797.3497 3500.0 804.4282 26000.0 856.3508 2200.0 857.3483 29000.0 858.348 310000.0 859.3511 170000.0 860.3508 67000.0 861.3533 6600.0 900.0161 1600.0 1248.2319 1600.0 1393.0094 1700.0 END IONS BEGIN IONS SCANS=236 PEPMASS=832.4605 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 104.1072 1400.0 117.0912 1500.0 120.0808 4300.0 184.0732 7600.0 218.1172 3900.0 231.1126 1800.0 233.1647 1100.0 239.0947 4200.0 261.1588 2700.0 299.0613 6000.0 330.1804 6000.0 331.201 42000.0 332.2047 2100.0 338.1711 1500.0 344.1962 28000.0 345.1992 1800.0 355.0692 18000.0 355.1971 3600.0 356.0695 2400.0 359.0271 1800.0 362.2074 1700.0 367.2339 1500.0 401.2176 3900.0 415.0356 3000.0 415.2696 1500.0 429.088 2000.0 431.2276 1600.0 443.2644 5800.0 450.2745 3100.0 478.2694 17000.0 479.2721 1700.0 484.2552 1400.0 486.3055 1100.0 502.2652 11000.0 503.1069 1300.0 503.2676 1100.0 514.3014 8000.0 526.3021 1400.0 535.2897 1200.0 561.306 31000.0 562.3096 4100.0 579.3165 4200.0 587.3533 1700.0 597.3387 2200.0 601.332 1100.0 615.3489 26000.0 616.3525 2900.0 632.3785 1900.0 660.3747 23000.0 661.3779 3300.0 662.3544 2400.0 731.412 2800.0 END IONS BEGIN IONS SCANS=237 PEPMASS=834.4374 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1800.0 86.0968 36000.0 120.0808 13000.0 167.0551 1100.0 184.0733 2700.0 201.1231 1500.0 231.1128 5100.0 233.1647 2900.0 239.0943 3100.0 258.1443 2900.0 261.1592 4900.0 295.1761 1100.0 296.1594 1400.0 299.0609 3800.0 303.1697 99000.0 317.1852 46000.0 318.1887 2400.0 330.1803 19000.0 341.1809 7300.0 344.1962 56000.0 355.0693 8100.0 356.0693 3900.0 357.066 3300.0 362.2062 2900.0 369.1765 3300.0 387.2015 4900.0 415.2693 3600.0 417.2125 3500.0 422.243 7100.0 436.2577 2400.0 443.2641 17000.0 445.2438 2500.0 450.2377 51000.0 460.255 2600.0 461.2746 2100.0 464.2534 14000.0 470.2391 4900.0 488.2494 81000.0 500.2859 7900.0 518.2607 10000.0 530.2961 3600.0 533.2747 87000.0 534.2786 3700.0 547.2903 35000.0 551.2854 15000.0 565.2991 3400.0 573.3387 5000.0 583.3225 6900.0 599.3215 2800.0 601.3332 230000.0 602.3359 5100.0 616.3151 5600.0 631.3437 25000.0 632.343 94000.0 646.3585 21000.0 650.3535 6300.0 657.336 1300.0 689.3644 10000.0 691.3434 1100.0 715.3784 1600.0 733.39 3700.0 734.3931 1100.0 762.4163 5400.0 772.4007 8200.0 790.3501 1700.0 790.4115 16000.0 806.4442 1300.0 END IONS BEGIN IONS SCANS=238 PEPMASS=834.439 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 3000.0 86.0968 69000.0 106.458 1200.0 120.0809 18000.0 171.1126 4800.0 173.1279 2100.0 183.1124 1700.0 184.0731 3100.0 192.1015 2500.0 201.1234 4800.0 220.0967 9200.0 231.1124 9400.0 233.1648 1700.0 239.0945 2000.0 249.1232 2900.0 254.1496 3100.0 261.1588 3500.0 267.1332 3100.0 272.1598 2500.0 282.1442 1200.0 299.0617 3300.0 305.1853 6000.0 330.1805 29000.0 333.1804 260000.0 334.1838 11000.0 338.1702 5600.0 344.1963 48000.0 355.069 6900.0 355.1967 17000.0 356.0685 3600.0 357.0661 3500.0 373.2227 2400.0 383.192 4500.0 401.2174 16000.0 413.2175 2300.0 415.27 1700.0 431.228 6300.0 443.2645 8400.0 445.2442 2800.0 452.2533 6000.0 457.2434 1900.0 474.2706 4000.0 480.2485 90000.0 481.2519 7800.0 484.2545 6300.0 502.2651 46000.0 503.2682 5200.0 514.3011 13000.0 535.2897 2400.0 537.2696 9400.0 545.2751 2300.0 553.3013 2400.0 563.2853 230000.0 564.2886 24000.0 581.2957 25000.0 582.2997 2600.0 597.3383 4200.0 601.3337 2500.0 615.3486 39000.0 616.3526 4800.0 634.3587 14000.0 635.3619 1700.0 636.3376 2300.0 662.3535 130000.0 663.3564 18000.0 664.3326 12000.0 665.3367 1200.0 680.3634 2600.0 733.3909 18000.0 734.3924 2300.0 735.3703 3500.0 763.4022 1300.0 789.4142 1600.0 790.4119 1100.0 798.3678 1400.0 806.4427 4200.0 END IONS BEGIN IONS SCANS=239 PEPMASS=835.4713 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1700.0 86.0967 31000.0 91.5084 1300.0 104.053 2700.0 120.0781 1700.0 120.0807 16000.0 171.1126 2900.0 173.0918 1300.0 184.073 4300.0 220.0964 1100.0 231.1128 1900.0 233.1641 2300.0 258.1438 1300.0 261.1587 3900.0 272.1599 2900.0 299.0607 1400.0 303.1697 110000.0 316.1646 11000.0 330.1802 18000.0 333.1801 22000.0 341.1812 12000.0 344.196 16000.0 355.0688 2900.0 355.1967 2800.0 356.0694 2700.0 362.1524 3100.0 369.1759 2300.0 387.2024 4000.0 401.2173 2500.0 417.2126 3100.0 422.2428 8400.0 429.2487 9900.0 431.2279 3300.0 443.2645 1800.0 450.2378 81000.0 451.2412 9700.0 480.2485 7300.0 481.2533 3900.0 488.2492 60000.0 489.2524 3500.0 500.2854 11000.0 502.2644 7900.0 519.259 78000.0 520.2622 9000.0 533.275 11000.0 537.2692 16000.0 561.3063 3900.0 563.2853 15000.0 564.2883 10000.0 565.2475 3900.0 573.3373 3900.0 583.3218 4100.0 601.3333 100000.0 602.3359 12000.0 618.3273 94000.0 619.3247 9500.0 620.3072 8500.0 632.342 9700.0 662.3538 8800.0 663.3571 7800.0 664.3132 2300.0 689.3621 5300.0 690.3662 1900.0 691.3437 1400.0 717.3992 1100.0 719.3764 4400.0 733.3915 1500.0 762.4164 3300.0 772.4012 5800.0 790.412 15000.0 791.4113 2100.0 END IONS BEGIN IONS SCANS=240 PEPMASS=836.4539 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6700.0 91.508 1200.0 120.0806 4000.0 201.1233 1200.0 231.1122 1400.0 249.1231 1400.0 272.1595 1300.0 286.1755 2900.0 303.1697 22000.0 317.1854 14000.0 330.1801 2900.0 335.1594 3400.0 344.1962 17000.0 348.1908 1300.0 355.0696 1700.0 357.0665 1300.0 362.2074 5100.0 376.1855 1100.0 387.2228 1000.0 401.2174 1100.0 415.2332 1100.0 419.2277 3500.0 422.2429 2000.0 433.2433 3700.0 443.2643 2000.0 450.2378 21000.0 451.2426 2000.0 457.2791 1800.0 464.2536 13000.0 482.2281 1100.0 507.2593 4100.0 514.3013 2100.0 532.312 2200.0 533.2749 33000.0 534.2742 2800.0 547.2903 17000.0 551.2855 16000.0 552.2885 1400.0 565.2654 2100.0 565.3005 8800.0 618.3636 1300.0 620.3429 1400.0 632.3436 5000.0 633.3613 3100.0 646.3588 41000.0 647.3628 5000.0 664.3328 1600.0 664.368 4100.0 717.3965 1900.0 735.4072 3000.0 END IONS BEGIN IONS SCANS=241 PEPMASS=836.4543 CHARGE=1 COLLISION_ENERGY=0.0 68.3771 69000.0 76.3391 63000.0 79.2813 67000.0 83.0352 69000.0 86.0968 3100000.0 95.2884 63000.0 108.1851 76000.0 120.0781 120000.0 120.0809 630000.0 130.1319 60000.0 134.3793 60000.0 148.9364 63000.0 171.1122 100000.0 173.0919 130000.0 185.1282 250000.0 186.3688 68000.0 191.1024 120000.0 197.1283 63000.0 204.1012 92000.0 231.1127 370000.0 233.1643 200000.0 254.1497 87000.0 261.1591 210000.0 272.1599 200000.0 286.1756 270000.0 289.1897 95000.0 290.1694 81000.0 303.1696 4600000.0 304.1864 270000.0 317.1853 3100000.0 330.1798 420000.0 344.196 5900000.0 345.1993 290000.0 355.1972 120000.0 359.2281 220000.0 362.2069 240000.0 369.2126 98000.0 373.2064 320000.0 387.2226 380000.0 401.2174 240000.0 415.2328 310000.0 421.2066 140000.0 422.2435 130000.0 436.2578 170000.0 443.2648 430000.0 450.2378 1600000.0 451.2404 81000.0 457.28 490000.0 464.2531 940000.0 465.2576 90000.0 492.2809 100000.0 502.2646 300000.0 516.2808 390000.0 520.2754 900000.0 533.2746 4600000.0 534.2935 1100000.0 547.2902 2800000.0 550.3038 87000.0 551.2859 710000.0 552.6413 62000.0 565.3 400000.0 594.0224 67000.0 597.3384 90000.0 615.348 340000.0 618.3635 810000.0 633.3592 2500000.0 634.3621 330000.0 646.3583 4100000.0 647.3765 1900000.0 652.3325 270000.0 663.3816 94000.0 664.3712 310000.0 666.3495 140000.0 717.3958 740000.0 718.3984 86000.0 723.3688 270000.0 735.406 310000.0 737.4203 83000.0 765.4156 360000.0 777.3033 71000.0 787.9688 76000.0 790.4448 94000.0 790.5486 80000.0 791.434 130000.0 808.4584 560000.0 END IONS BEGIN IONS SCANS=242 PEPMASS=837.4196 CHARGE=2 COLLISION_ENERGY=0.0 120.0807 6400.0 126.5593 1100.0 135.2679 1000.0 144.0822 1100.0 151.6702 1000.0 153.7839 1000.0 158.7031 1200.0 161.6987 1100.0 173.8606 1100.0 176.1062 1200.0 201.9921 1100.0 206.1716 1200.0 210.5097 1200.0 231.1122 2800.0 242.6504 1300.0 262.646 1500.0 303.17 29000.0 304.1734 15000.0 317.1855 29000.0 318.1889 20000.0 344.1964 23000.0 345.2002 16000.0 355.1971 5000.0 364.1779 43000.0 364.68 14000.0 369.2127 4800.0 372.1642 4900.0 378.1748 4000.0 428.6993 1100000.0 429.2008 560000.0 429.6786 38000.0 429.702 120000.0 436.6854 57000.0 437.1864 13000.0 450.2386 19000.0 451.2419 19000.0 452.2451 11000.0 464.254 19000.0 465.2578 23000.0 466.261 17000.0 502.2659 27000.0 503.2689 28000.0 533.2756 32000.0 534.2786 28000.0 548.2943 27000.0 549.2978 31000.0 551.2873 6500.0 552.2891 7100.0 553.2918 10000.0 566.3049 9100.0 567.3086 10000.0 599.3457 3900.0 615.3496 46000.0 616.3531 65000.0 617.3557 67000.0 646.3595 54000.0 647.3629 95000.0 648.3657 150000.0 664.369 8500.0 665.3724 8400.0 666.3759 15000.0 686.2625 2400.0 701.3336 2900.0 717.3964 11000.0 718.3996 11000.0 719.4035 16000.0 727.3491 3400.0 749.4138 5600.0 753.8649 1900.0 786.8972 2200.0 787.3934 2500.0 790.4434 2700.0 792.4554 4500.0 858.3488 26000.0 858.3968 17000.0 872.3632 37000.0 873.3669 5800.0 1225.4711 2300.0 1241.9402 2000.0 1417.8419 2200.0 1537.2896 2500.0 1698.5582 2400.0 END IONS BEGIN IONS SCANS=243 PEPMASS=838.3801 CHARGE=1 COLLISION_ENERGY=0.0 231.1129 1300.0 245.1281 2700.0 273.1223 2400.0 295.1104 3100.0 314.1492 1000.0 330.1802 6200.0 337.1209 120000.0 338.1243 5700.0 355.1967 3200.0 378.1473 16000.0 383.192 1100.0 401.2173 3700.0 431.2285 1700.0 456.1942 6700.0 474.2694 1200.0 477.2157 2600.0 484.1891 24000.0 484.2543 2500.0 485.1923 1300.0 502.265 14000.0 503.2282 3800.0 503.2678 1100.0 539.2311 1000.0 541.2105 2300.0 548.252 2900.0 567.2259 82000.0 568.2291 8000.0 585.2359 9400.0 585.3017 4300.0 586.24 1400.0 602.2959 1700.0 621.3048 1000.0 638.2983 6100.0 649.2999 24000.0 650.3025 2300.0 666.2941 53000.0 667.298 7200.0 668.2736 7200.0 673.3323 1300.0 684.3043 1900.0 737.3301 8200.0 738.3341 1400.0 739.3095 1500.0 756.3688 1400.0 767.3414 1200.0 774.3803 9700.0 775.3854 2100.0 810.3845 3900.0 END IONS BEGIN IONS SCANS=244 PEPMASS=838.3795 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1500.0 84.0809 2000.0 86.0968 12000.0 120.0805 1600.0 136.0755 4000.0 162.0908 1700.0 171.1126 2300.0 190.0861 4700.0 231.1125 2300.0 245.1281 1500.0 247.1071 2300.0 254.1494 1100.0 272.1597 3100.0 273.1228 1100.0 277.1542 1700.0 290.1701 3700.0 295.1104 1800.0 301.1536 4600.0 303.1696 33000.0 319.1651 3600.0 330.1804 9000.0 337.1208 48000.0 346.175 4300.0 355.1965 3500.0 360.1909 21000.0 373.2076 4800.0 378.1475 8700.0 401.2021 2400.0 401.2176 3000.0 417.2122 1700.0 431.2644 1500.0 438.2373 2400.0 448.2217 2800.0 456.1946 2800.0 459.2597 3300.0 466.2329 15000.0 477.2156 2100.0 484.1888 11000.0 484.2541 1300.0 502.2646 10000.0 518.2599 2300.0 520.2752 11000.0 531.2589 11000.0 536.2703 8300.0 549.2695 32000.0 550.272 3900.0 567.2256 42000.0 567.2792 3300.0 568.2292 3800.0 585.2364 5200.0 585.3013 2800.0 630.3265 7000.0 631.3436 17000.0 638.2994 3700.0 648.3378 22000.0 649.2998 17000.0 649.3545 27000.0 650.3022 1900.0 650.3561 2200.0 666.2944 25000.0 667.298 3600.0 668.2741 3300.0 668.3263 1500.0 701.3633 1600.0 719.3743 4400.0 737.3314 3600.0 737.3832 1200.0 739.3633 1700.0 767.3956 2100.0 774.3808 3900.0 792.4266 1900.0 802.4119 2100.0 810.4376 2600.0 END IONS BEGIN IONS SCANS=245 PEPMASS=838.4334 CHARGE=1 COLLISION_ENERGY=0.0 84.0811 1500.0 86.0968 2300.0 91.5081 1900.0 120.0806 3100.0 136.0755 1500.0 162.091 1900.0 171.1126 2300.0 190.0859 9300.0 231.1123 4500.0 245.1281 2800.0 267.1153 1700.0 272.1596 2500.0 273.1227 3000.0 277.1537 1500.0 290.1706 1800.0 295.1105 2500.0 301.154 6900.0 303.1692 8500.0 330.1807 15000.0 337.1209 96000.0 338.1245 4800.0 342.1797 4300.0 355.197 3500.0 360.1907 5200.0 373.2075 3000.0 378.1472 18000.0 379.1497 1200.0 401.2024 2200.0 401.2173 5700.0 413.218 1200.0 431.2282 1800.0 441.2486 1700.0 448.2218 4400.0 456.1941 4600.0 466.2327 7900.0 477.2157 4400.0 484.1891 24000.0 484.2543 2800.0 485.1936 2800.0 502.265 18000.0 503.2281 3000.0 520.2756 16000.0 531.2589 14000.0 541.2106 3100.0 549.2697 12000.0 550.2731 1300.0 557.2423 1100.0 567.2259 88000.0 568.2292 9700.0 585.2361 8500.0 585.3016 7500.0 630.3271 8800.0 631.3442 18000.0 638.2997 5100.0 648.3375 10000.0 649.2998 31000.0 649.3547 14000.0 650.302 3400.0 650.3576 1100.0 666.2942 53000.0 667.2975 7300.0 668.2725 5400.0 684.3049 1900.0 701.3643 1400.0 719.3734 1800.0 737.3315 6400.0 738.334 1200.0 739.3099 1500.0 774.3806 8400.0 775.382 1300.0 792.4279 2100.0 802.4114 2600.0 810.3839 2700.0 END IONS BEGIN IONS SCANS=246 PEPMASS=838.4336 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 5700.0 91.5062 1500.0 136.0756 1100.0 247.1075 1200.0 272.1599 1600.0 290.1705 1100.0 303.17 19000.0 304.1733 1100.0 337.1208 12000.0 346.1755 2500.0 360.191 9700.0 373.2073 2000.0 378.1472 2400.0 459.2604 1700.0 466.2333 6100.0 484.1893 3500.0 502.265 1600.0 517.2465 1400.0 518.2592 1300.0 530.2958 1300.0 536.2706 4600.0 549.27 17000.0 550.2731 1700.0 567.2258 11000.0 567.2799 2400.0 585.2371 1300.0 616.314 1500.0 620.3435 1800.0 631.3442 1300.0 648.3378 13000.0 649.3015 3700.0 649.3554 11000.0 650.3568 1200.0 666.2949 6900.0 668.3279 1500.0 719.3748 2400.0 737.3859 1000.0 774.3807 1200.0 810.4373 1700.0 END IONS BEGIN IONS SCANS=247 PEPMASS=838.4339 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1500.0 91.5083 1000.0 287.1414 1100.0 303.1702 5500.0 330.1805 1200.0 337.1209 9300.0 344.196 2500.0 378.1474 2100.0 434.2103 1200.0 450.2381 3400.0 484.1895 2100.0 502.265 1200.0 517.2465 2000.0 533.2751 3600.0 549.2697 2100.0 551.2855 1000.0 567.2261 7700.0 616.3145 1600.0 632.3428 4500.0 648.3375 1300.0 649.3005 3200.0 649.3575 2000.0 666.2948 5000.0 END IONS BEGIN IONS SCANS=248 PEPMASS=838.4335 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 21000.0 82.8519 6700.0 84.9869 6900.0 86.0968 430000.0 87.719 7000.0 91.506 15000.0 102.6494 7100.0 103.9055 6600.0 120.0808 100000.0 129.1516 6800.0 132.0079 7200.0 133.8755 7400.0 159.0493 7900.0 171.0759 11000.0 183.1125 8900.0 187.1075 38000.0 189.0867 9500.0 199.5163 7200.0 207.0975 20000.0 209.75 6500.0 227.2263 8100.0 231.1124 81000.0 233.1643 23000.0 249.1225 6400.0 261.1593 22000.0 270.1443 49000.0 275.1747 19000.0 277.1537 13000.0 285.1581 11000.0 288.1546 25000.0 303.1699 1200000.0 304.1731 41000.0 306.1649 39000.0 330.1804 160000.0 344.1963 650000.0 345.1997 26000.0 353.1811 15000.0 361.2076 26000.0 362.2071 11000.0 371.192 43000.0 389.2024 70000.0 399.203 19000.0 415.2698 32000.0 417.197 26000.0 417.2123 58000.0 422.2431 59000.0 443.2647 130000.0 444.2669 13000.0 450.2379 290000.0 450.3268 8100.0 451.2414 25000.0 456.2624 6700.0 463.2538 9400.0 484.2925 7800.0 518.2605 59000.0 530.2959 67000.0 533.2748 1100000.0 534.278 110000.0 536.2705 270000.0 549.2698 40000.0 550.2866 24000.0 551.2855 74000.0 552.289 8900.0 564.2651 18000.0 567.2801 7300.0 586.3229 8000.0 604.3481 74000.0 621.3586 55000.0 631.3435 78000.0 632.343 540000.0 633.346 65000.0 649.3544 610000.0 650.3564 72000.0 652.3331 42000.0 701.3638 31000.0 713.7114 9300.0 719.3751 87000.0 720.3801 11000.0 737.3848 12000.0 739.3672 43000.0 751.4009 24000.0 759.0005 7000.0 792.4277 15000.0 793.4119 19000.0 802.4113 84000.0 803.4163 13000.0 810.4385 78000.0 END IONS BEGIN IONS SCANS=249 PEPMASS=838.4472 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 230.1136 1200.0 337.2235 1700.0 365.2176 5500.0 577.2965 1700.0 594.3232 27000.0 595.3269 2700.0 609.3387 9600.0 610.3427 1200.0 END IONS BEGIN IONS SCANS=250 PEPMASS=838.4467 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 230.1136 1200.0 337.2235 1700.0 365.2176 5500.0 577.2965 1700.0 594.3232 27000.0 595.3269 2700.0 609.3387 9600.0 610.3427 1200.0 END IONS BEGIN IONS SCANS=251 PEPMASS=839.4199 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1900.0 86.0947 1500.0 86.0969 35000.0 120.0808 10000.0 162.0913 1000.0 183.1126 1900.0 231.1124 5400.0 233.1645 3200.0 261.1592 3800.0 272.1595 1500.0 289.1386 9100.0 290.1709 1200.0 303.17 95000.0 304.1731 7700.0 330.1808 16000.0 337.1208 5100.0 344.1962 53000.0 345.1994 6400.0 355.1975 1200.0 358.1753 1500.0 362.2067 1400.0 373.2073 4500.0 401.2178 1300.0 415.2696 3400.0 419.2289 1300.0 422.2428 3400.0 443.2647 17000.0 444.2679 1800.0 450.2381 29000.0 451.2411 4900.0 462.223 1200.0 473.238 1100.0 491.2487 1500.0 502.2644 2600.0 519.2438 25000.0 520.2762 12000.0 533.275 96000.0 534.2783 16000.0 535.2802 3400.0 550.3005 1400.0 551.2314 1100.0 551.285 3400.0 567.2278 3300.0 568.2314 1900.0 586.3226 4000.0 604.3498 3500.0 632.3282 100000.0 632.3455 25000.0 633.3311 9300.0 633.3588 25000.0 634.3652 4300.0 650.2993 2400.0 650.3525 3500.0 651.3004 1100.0 666.294 2000.0 667.2985 1500.0 703.3797 3700.0 721.3901 2800.0 723.3685 1000.0 793.4119 5900.0 794.4465 2900.0 804.4293 7500.0 END IONS BEGIN IONS SCANS=252 PEPMASS=839.4661 CHARGE=1 COLLISION_ENERGY=0.0 61.2817 2600.0 72.081 5200.0 86.0965 230000.0 86.0981 11000.0 86.0986 8700.0 87.0999 11000.0 100.0628 2900.0 104.053 3300.0 120.0653 4200.0 120.0808 54000.0 121.0838 4500.0 149.5844 2700.0 172.1075 3700.0 183.1124 3400.0 187.1076 16000.0 189.0859 6000.0 190.0853 6000.0 190.118 5500.0 201.1231 4400.0 207.0977 12000.0 231.1125 46000.0 232.1157 8900.0 233.1644 13000.0 249.1225 6100.0 261.1595 21000.0 270.1444 23000.0 271.1755 8800.0 275.1746 10000.0 288.1544 8900.0 289.1863 7000.0 303.17 550000.0 304.1733 120000.0 306.1649 22000.0 330.1804 70000.0 344.1962 310000.0 345.1996 78000.0 353.1812 8600.0 361.2075 19000.0 362.2074 11000.0 371.192 21000.0 389.2022 32000.0 390.2342 21000.0 415.2688 19000.0 417.1972 8800.0 417.2125 23000.0 422.2429 26000.0 443.2643 46000.0 444.2687 17000.0 450.238 190000.0 451.241 63000.0 461.276 5900.0 494.2602 4300.0 496.8146 2600.0 507.259 23000.0 518.2592 24000.0 533.2751 480000.0 534.2782 230000.0 536.2704 100000.0 537.274 45000.0 550.2687 3900.0 550.2869 10000.0 551.2318 8000.0 551.2857 83000.0 552.288 27000.0 564.2661 8300.0 604.3488 25000.0 621.3596 21000.0 631.3443 25000.0 632.3433 320000.0 633.346 140000.0 649.3544 200000.0 650.301 8200.0 650.3575 150000.0 650.387 14000.0 651.3586 14000.0 652.3337 9500.0 653.3351 7600.0 701.3641 6800.0 719.374 25000.0 720.3777 26000.0 721.3914 14000.0 739.3649 20000.0 740.3686 15000.0 751.4013 5900.0 778.4139 2900.0 803.4152 29000.0 END IONS BEGIN IONS SCANS=253 PEPMASS=839.4661 CHARGE=1 COLLISION_ENERGY=0.0 59.3125 3400.0 61.9837 3300.0 82.6078 3300.0 85.1675 3200.0 86.0953 5900.0 86.0969 35000.0 100.674 3600.0 104.0534 5000.0 108.6438 3200.0 116.51 3100.0 118.1174 2900.0 120.0806 17000.0 155.754 3400.0 157.8331 3600.0 171.1126 3100.0 172.1079 4600.0 186.7781 3200.0 190.1185 13000.0 204.0886 3900.0 231.1129 12000.0 249.1237 4700.0 271.176 5900.0 272.1599 14000.0 275.1749 3700.0 289.1861 20000.0 293.3329 3300.0 303.1698 190000.0 304.1734 25000.0 321.1259 21000.0 330.1809 25000.0 344.196 70000.0 345.2 11000.0 362.153 12000.0 362.2072 19000.0 373.2081 10000.0 389.2544 4400.0 390.2339 36000.0 391.2383 4900.0 401.219 5300.0 417.2135 4400.0 419.2275 27000.0 422.2427 18000.0 433.2802 6200.0 443.2646 25000.0 450.2379 200000.0 451.2415 19000.0 461.2753 12000.0 468.1949 8600.0 476.2494 3800.0 494.2607 13000.0 507.2596 30000.0 514.3023 13000.0 532.3126 16000.0 533.2749 280000.0 534.2783 45000.0 537.3032 23000.0 551.2318 26000.0 551.2855 170000.0 552.2881 24000.0 606.3272 17000.0 607.3448 17000.0 632.3433 410000.0 632.3742 13000.0 633.3439 52000.0 649.3544 32000.0 650.3002 13000.0 650.3552 82000.0 650.3868 31000.0 651.316 7400.0 651.3581 7200.0 703.3805 8800.0 721.3904 32000.0 722.3963 6000.0 738.4426 3700.0 778.4125 3600.0 803.413 5300.0 END IONS BEGIN IONS SCANS=254 PEPMASS=840.3947 CHARGE=1 COLLISION_ENERGY=0.0 59.1189 3100.0 72.0813 4900.0 76.7718 3200.0 77.3973 3300.0 86.0968 130000.0 87.1001 13000.0 102.1552 3600.0 104.0533 50000.0 112.4862 3500.0 120.0781 5000.0 120.0807 50000.0 121.0841 14000.0 162.0906 3000.0 171.1127 9100.0 172.1084 3200.0 187.1073 8600.0 198.0631 2900.0 201.9745 3200.0 207.0976 9400.0 231.1122 20000.0 232.1158 9800.0 233.1646 4300.0 234.1674 4900.0 261.1596 5500.0 270.1445 12000.0 272.1599 11000.0 275.1734 5400.0 288.1544 6100.0 290.1706 5800.0 303.1699 250000.0 304.173 150000.0 321.1263 73000.0 330.1806 42000.0 344.196 130000.0 345.1996 99000.0 362.1523 64000.0 362.2084 9100.0 371.1917 13000.0 373.2077 9300.0 389.2024 13000.0 390.2045 12000.0 417.212 12000.0 418.2161 12000.0 422.2438 8100.0 423.2465 7900.0 443.2642 20000.0 444.2683 27000.0 450.2381 74000.0 451.2409 70000.0 452.2447 13000.0 459.7482 3100.0 461.2206 11000.0 468.1945 22000.0 520.2757 21000.0 533.2751 130000.0 534.2782 220000.0 535.2812 74000.0 536.27 32000.0 537.2734 50000.0 550.2725 11000.0 551.2313 94000.0 551.2861 29000.0 552.2339 15000.0 552.2883 18000.0 569.2418 13000.0 605.3525 12000.0 622.3043 12000.0 632.3435 100000.0 633.3464 150000.0 634.3494 39000.0 649.3561 31000.0 650.2992 60000.0 650.3579 140000.0 651.3178 52000.0 651.3586 56000.0 652.3601 4400.0 653.3349 7900.0 702.3663 6900.0 720.377 27000.0 721.3343 6000.0 721.3821 5900.0 740.3669 11000.0 741.3674 7100.0 752.4033 4200.0 758.246 4000.0 776.3921 5100.0 803.4163 19000.0 867.8016 4100.0 END IONS BEGIN IONS SCANS=255 PEPMASS=840.4248 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 2300.0 184.0735 1500.0 303.17 6600.0 339.1709 1200.0 344.1966 2600.0 429.6773 4000.0 430.1795 2300.0 430.6785 1200.0 437.1873 1700.0 437.688 1700.0 450.237 3000.0 502.2653 1100.0 520.2767 1700.0 533.2753 5100.0 534.2784 2900.0 615.3497 1600.0 632.3441 4500.0 633.3624 3100.0 634.363 1300.0 711.3823 2700.0 739.3781 3000.0 796.4356 2000.0 805.4307 1100.0 END IONS BEGIN IONS SCANS=256 PEPMASS=840.449 CHARGE=1 COLLISION_ENERGY=0.0 63.1888 110000.0 72.081 190000.0 81.2877 97000.0 86.0947 110000.0 86.0965 1800000.0 91.508 370000.0 101.9006 110000.0 106.4921 96000.0 120.0804 1200000.0 132.9553 92000.0 140.3259 110000.0 144.3707 96000.0 159.0992 100000.0 173.0913 210000.0 173.1279 98000.0 175.5383 100000.0 190.0846 100000.0 191.1021 440000.0 201.1235 620000.0 231.1125 400000.0 233.1642 100000.0 249.1224 370000.0 252.9821 140000.0 261.1592 480000.0 272.1597 870000.0 275.1742 190000.0 276.1698 300000.0 290.1702 120000.0 303.17 13000000.0 304.1736 690000.0 330.1801 1600000.0 344.1963 5100000.0 345.2 320000.0 348.1906 450000.0 362.2068 1300000.0 373.2078 930000.0 389.2541 210000.0 391.2177 700000.0 391.2321 170000.0 392.221 130000.0 401.2169 160000.0 415.2696 430000.0 419.228 1400000.0 422.2429 1300000.0 433.2796 310000.0 443.2646 1800000.0 450.1609 110000.0 450.2381 12000000.0 451.2409 870000.0 461.2753 1000000.0 471.3026 98000.0 507.2594 2600000.0 514.3016 660000.0 532.312 1100000.0 533.275 22000000.0 534.2778 2400000.0 538.2858 1600000.0 551.2853 7300000.0 552.2882 600000.0 586.6416 110000.0 604.3483 550000.0 606.3271 880000.0 607.7186 100000.0 608.2352 130000.0 632.3431 19000000.0 633.345 2100000.0 650.3539 1200000.0 651.3709 3300000.0 652.3741 440000.0 703.3809 270000.0 721.3884 620000.0 722.3951 100000.0 757.7377 110000.0 782.868 110000.0 END IONS BEGIN IONS SCANS=257 PEPMASS=840.4492 CHARGE=1 COLLISION_ENERGY=0.0 60.1496 1400.0 62.6038 1500.0 71.983 1500.0 72.0812 3700.0 76.7324 1500.0 86.0968 53000.0 106.2748 1700.0 112.4609 1500.0 120.0806 23000.0 125.7409 1500.0 141.147 1600.0 147.956 2000.0 161.9424 1800.0 171.113 2800.0 173.0921 4600.0 173.3772 1800.0 190.1182 3600.0 191.1027 8900.0 201.1235 8800.0 213.4916 1500.0 221.1279 2500.0 231.1124 8900.0 233.1645 4600.0 249.1232 15000.0 261.1592 5600.0 272.1599 18000.0 275.1752 4100.0 276.17 2400.0 285.9831 2000.0 290.1711 2800.0 303.17 290000.0 304.173 18000.0 319.1642 10000.0 330.1804 24000.0 344.1962 65000.0 345.1995 7500.0 362.207 15000.0 373.2074 14000.0 389.2537 2400.0 390.2329 4300.0 391.218 13000.0 391.232 2300.0 415.2699 4400.0 419.2282 21000.0 422.2432 25000.0 423.2454 2900.0 433.2796 4300.0 443.2641 21000.0 450.238 260000.0 451.2411 27000.0 461.275 11000.0 485.5311 1700.0 507.2595 39000.0 520.275 11000.0 532.3117 11000.0 533.275 400000.0 534.2786 48000.0 538.2853 21000.0 550.2731 6500.0 551.2855 150000.0 552.2892 21000.0 604.3492 12000.0 606.3273 15000.0 622.3581 3800.0 632.3433 380000.0 633.3459 62000.0 634.3623 6500.0 650.3538 26000.0 650.3845 2900.0 651.3707 45000.0 652.373 4400.0 703.38 12000.0 721.39 19000.0 722.3938 6200.0 755.3981 1600.0 759.4052 1800.0 776.395 3500.0 795.4119 2200.0 796.4178 2000.0 END IONS BEGIN IONS SCANS=258 PEPMASS=840.4666 CHARGE=1 COLLISION_ENERGY=0.0 60.7132 2600.0 84.0981 2600.0 84.353 3000.0 86.0948 3100.0 86.0965 36000.0 97.7913 2900.0 113.9674 2900.0 114.1861 3200.0 117.0951 2900.0 119.5559 2700.0 120.0806 24000.0 133.0323 2800.0 162.0898 3700.0 163.9875 3000.0 173.0914 5900.0 177.3404 2700.0 190.118 9100.0 191.1018 8700.0 201.123 11000.0 219.2382 2800.0 221.1288 4000.0 231.1124 11000.0 233.1636 3600.0 249.1225 12000.0 261.1585 8100.0 271.1759 6400.0 272.1603 26000.0 276.1693 3800.0 289.186 3700.0 290.1696 3200.0 303.17 270000.0 304.1737 14000.0 330.1808 35000.0 344.1962 120000.0 345.1994 9600.0 348.1908 9600.0 362.2072 23000.0 373.2071 12000.0 389.2543 5000.0 390.2337 15000.0 391.2173 15000.0 391.2346 3200.0 401.2176 6500.0 417.2483 6300.0 419.2284 29000.0 422.2433 28000.0 433.2799 7900.0 443.2649 29000.0 450.2381 260000.0 451.2418 35000.0 461.2744 18000.0 462.2789 5400.0 507.2595 54000.0 523.2907 12000.0 532.3132 20000.0 533.2751 440000.0 534.2783 62000.0 538.2863 28000.0 551.2855 160000.0 552.2886 32000.0 604.3494 7400.0 606.327 13000.0 607.3303 4700.0 608.3511 3000.0 632.3434 410000.0 633.3466 95000.0 650.3537 40000.0 650.3853 12000.0 651.3705 61000.0 652.3749 14000.0 703.3806 11000.0 721.3904 18000.0 722.3955 11000.0 END IONS BEGIN IONS SCANS=259 PEPMASS=841.4117 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 9500.0 126.175 1900.0 133.6718 1800.0 137.0398 2200.0 143.4164 1700.0 145.9924 2000.0 169.1208 2100.0 171.1124 4400.0 173.0918 2200.0 182.1933 2300.0 185.126 2200.0 199.0686 2200.0 208.4572 2300.0 210.0683 2300.0 231.1122 3600.0 235.6996 2500.0 239.8909 2200.0 247.9767 2300.0 252.7298 2400.0 264.3918 2200.0 272.16 5900.0 273.1634 3200.0 290.1707 7400.0 299.369 2300.0 303.1699 82000.0 304.1733 45000.0 305.1762 14000.0 330.1813 11000.0 344.1965 33000.0 345.2 24000.0 357.1705 12000.0 373.2077 17000.0 374.2112 11000.0 380.1726 23000.0 380.6735 6900.0 399.696 16000.0 423.2471 8000.0 430.6966 420000.0 431.1983 190000.0 431.6998 33000.0 443.2644 7300.0 444.2685 6500.0 450.2385 45000.0 451.2415 47000.0 452.2448 28000.0 460.0046 3200.0 482.7446 2600.0 488.353 2800.0 520.2764 48000.0 521.2796 63000.0 522.2827 44000.0 533.2753 83000.0 534.2786 110000.0 535.2817 83000.0 551.2863 9700.0 552.289 14000.0 553.2914 14000.0 632.3438 76000.0 633.3474 79000.0 633.3599 57000.0 634.3497 93000.0 634.3637 81000.0 635.3671 150000.0 650.3539 7000.0 651.3572 16000.0 652.3592 25000.0 653.3373 4200.0 687.3161 13000.0 688.3207 4300.0 703.3802 6200.0 704.3837 11000.0 705.3866 23000.0 722.3938 12000.0 723.3981 28000.0 725.3781 6100.0 753.4086 9600.0 772.3353 7300.0 795.4479 11000.0 796.4511 29000.0 797.4515 6100.0 798.3503 7000.0 816.3596 250000.0 817.3629 130000.0 862.394 17000.0 890.4886 3300.0 903.2911 4300.0 1105.5902 3500.0 1159.0477 3500.0 1224.8625 4000.0 1526.0809 3300.0 1590.3546 3700.0 1594.5885 4000.0 END IONS BEGIN IONS SCANS=260 PEPMASS=841.9131 CHARGE=1 COLLISION_ENERGY=0.0 65.108 10000.0 67.7957 10000.0 84.0767 11000.0 86.0969 190000.0 87.0999 35000.0 91.5082 27000.0 105.5679 12000.0 106.4697 10000.0 109.4088 13000.0 120.0807 74000.0 120.9964 11000.0 139.9279 12000.0 156.8018 11000.0 171.1125 25000.0 174.1927 12000.0 195.9115 12000.0 197.4761 11000.0 199.9764 12000.0 204.0284 13000.0 218.4058 12000.0 231.1123 35000.0 246.1437 11000.0 250.5737 13000.0 272.1598 44000.0 273.1629 21000.0 274.1666 15000.0 290.17 48000.0 290.2393 11000.0 303.1699 570000.0 304.173 330000.0 305.1769 81000.0 330.1805 68000.0 344.196 180000.0 345.1996 160000.0 357.1691 71000.0 357.6721 32000.0 373.2075 86000.0 374.2117 42000.0 380.1726 130000.0 399.6953 88000.0 400.1973 32000.0 430.6964 2500000.0 431.1978 1200000.0 431.699 250000.0 443.2633 43000.0 444.2681 35000.0 450.238 150000.0 451.2417 180000.0 452.2438 120000.0 492.2796 21000.0 520.2762 150000.0 521.2791 190000.0 522.2819 150000.0 533.2748 310000.0 534.2781 400000.0 535.2812 390000.0 551.2847 32000.0 552.2894 66000.0 553.2915 54000.0 632.3429 190000.0 633.347 220000.0 634.3499 340000.0 634.3631 260000.0 635.3665 470000.0 636.3686 70000.0 651.3564 26000.0 651.6252 14000.0 652.3589 61000.0 653.335 22000.0 654.3397 19000.0 687.3156 57000.0 703.3805 43000.0 704.3837 45000.0 705.3863 80000.0 722.394 30000.0 723.3977 35000.0 725.3765 31000.0 753.4072 25000.0 759.34 14000.0 779.4233 15000.0 796.4492 96000.0 797.4536 21000.0 798.3486 17000.0 816.3592 590000.0 817.3622 260000.0 END IONS BEGIN IONS SCANS=261 PEPMASS=842.4037 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 303.1697 2200.0 304.1729 2300.0 345.2003 1000.0 380.1727 1000.0 430.6963 6900.0 431.1974 5600.0 431.6995 1600.0 450.2385 1200.0 451.2415 1700.0 521.2803 1400.0 522.2805 1300.0 533.276 1300.0 534.2766 3000.0 535.2813 2300.0 633.3451 2700.0 634.3461 2600.0 635.3671 3100.0 636.3676 1200.0 816.3605 1500.0 END IONS BEGIN IONS SCANS=262 PEPMASS=842.4042 CHARGE=1 COLLISION_ENERGY=0.0 184.0733 1100.0 303.1701 1900.0 534.2797 1600.0 713.3607 2600.0 741.3561 2200.0 798.4126 1200.0 END IONS BEGIN IONS SCANS=263 PEPMASS=842.4052 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 303.1697 2200.0 304.1729 2300.0 345.2003 1000.0 380.1727 1000.0 430.6963 6900.0 431.1974 5600.0 431.6995 1600.0 450.2385 1200.0 451.2415 1700.0 521.2803 1400.0 522.2805 1300.0 533.276 1300.0 534.2766 3000.0 535.2813 2300.0 633.3451 2700.0 634.3461 2600.0 635.3671 3100.0 636.3676 1200.0 816.3605 1500.0 END IONS BEGIN IONS SCANS=264 PEPMASS=842.4056 CHARGE=1 COLLISION_ENERGY=0.0 184.0733 1100.0 303.1701 1900.0 534.2797 1600.0 713.3607 2600.0 741.3561 2200.0 798.4126 1200.0 END IONS BEGIN IONS SCANS=265 PEPMASS=842.4055 CHARGE=1 COLLISION_ENERGY=0.0 184.0731 1400.0 303.1693 1100.0 798.4142 1200.0 END IONS BEGIN IONS SCANS=266 PEPMASS=842.4781 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 5400.0 91.5081 2900.0 120.0809 3900.0 122.0391 1100.0 184.0731 1700.0 193.133 4500.0 201.1232 1000.0 229.154 2500.0 230.158 1100.0 249.1232 1400.0 261.1593 2000.0 272.1594 1800.0 292.2014 1300.0 303.1699 45000.0 304.1745 2600.0 330.1802 6200.0 344.1962 24000.0 348.192 1500.0 362.2072 3600.0 393.2487 2800.0 415.2701 2400.0 419.2281 3300.0 422.2427 2700.0 433.2801 2800.0 440.7175 2700.0 443.265 5000.0 450.238 36000.0 451.2413 2500.0 461.2748 3700.0 505.2812 1600.0 507.2594 7000.0 523.2911 1800.0 533.275 72000.0 534.2783 9000.0 540.317 1700.0 551.2853 22000.0 552.2883 4000.0 575.5021 1500.0 604.3494 1400.0 606.3272 2100.0 632.343 46000.0 633.3458 5600.0 647.421 1100.0 650.3535 3600.0 653.4003 5400.0 687.3145 1200.0 703.3801 1400.0 713.3414 1600.0 787.7097 1100.0 798.4148 5600.0 END IONS BEGIN IONS SCANS=267 PEPMASS=843.4406 CHARGE=1 COLLISION_ENERGY=0.0 60.5241 1000.0 71.3363 1100.0 78.1294 1100.0 81.8958 1000.0 86.0968 27000.0 95.8199 1200.0 112.3377 1100.0 112.882 1000.0 120.0807 1400.0 130.065 3800.0 141.1023 1400.0 148.4454 1100.0 154.4963 1100.0 155.1175 1200.0 159.0916 170000.0 160.095 4200.0 171.1125 3500.0 187.0865 1800.0 201.1236 3200.0 253.0972 3300.0 254.1497 4000.0 266.149 6400.0 270.1234 24000.0 272.1754 4500.0 288.1338 2600.0 300.17 17000.0 303.1698 77000.0 304.174 4700.0 309.1915 2500.0 337.1865 3700.0 338.1702 3700.0 355.1971 12000.0 367.2329 2700.0 369.1916 26000.0 371.1711 3400.0 383.207 45000.0 384.2108 2100.0 401.2167 4800.0 424.1969 1700.0 440.2285 11000.0 441.3443 1200.0 443.2279 8100.0 455.2281 35000.0 461.2539 17000.0 470.2394 5400.0 482.2747 15000.0 489.249 53000.0 490.2529 6100.0 513.2815 1900.0 523.2646 2200.0 524.2494 9400.0 541.2759 43000.0 542.2802 4400.0 546.2699 7200.0 553.3118 14000.0 562.3021 2100.0 565.3138 3000.0 572.2855 100000.0 573.2886 12000.0 590.2963 14000.0 609.3352 1300.0 626.3654 2800.0 636.3483 7300.0 643.3595 3700.0 644.4424 1100.0 645.3384 2300.0 654.3596 75000.0 655.364 7400.0 671.3541 80000.0 672.3574 11000.0 673.3328 7800.0 674.3392 1900.0 728.8422 1100.0 741.3578 1500.0 742.3923 9300.0 743.3929 1300.0 744.3723 2000.0 757.4792 1200.0 798.4153 1300.0 815.4445 3100.0 878.1713 1400.0 END IONS BEGIN IONS SCANS=268 PEPMASS=844.4201 CHARGE=1 COLLISION_ENERGY=0.0 542.2585 1100.0 634.3484 1200.0 644.3413 1300.0 655.3423 1000.0 672.3345 1500.0 699.3855 1200.0 715.3779 14000.0 716.3813 1300.0 743.3724 28000.0 744.3761 3400.0 800.3881 5500.0 800.4312 4300.0 END IONS BEGIN IONS SCANS=269 PEPMASS=845.4059 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 2700.0 184.073 1800.0 231.1124 1800.0 233.1651 1200.0 303.1699 17000.0 317.1856 16000.0 330.1812 3000.0 336.6454 12000.0 337.1474 4100.0 344.1963 17000.0 369.213 2700.0 371.6653 3600.0 372.1641 26000.0 372.6665 6700.0 386.1614 11000.0 386.6627 4400.0 427.6798 3600.0 435.6879 10000.0 436.1875 37000.0 436.6857 310000.0 437.187 120000.0 437.6875 17000.0 450.2385 15000.0 451.2419 2100.0 457.281 2100.0 464.2543 10000.0 465.2578 2400.0 484.256 1400.0 502.2658 15000.0 516.2816 14000.0 533.2753 23000.0 534.2787 5400.0 547.2911 14000.0 548.2939 5100.0 551.2862 4500.0 552.289 2000.0 561.2149 2700.0 565.3012 2500.0 575.2318 1500.0 597.3392 1400.0 615.3498 28000.0 616.3527 7100.0 629.3654 24000.0 630.3683 6600.0 646.3596 49000.0 647.3626 15000.0 664.3704 5500.0 665.3722 1500.0 672.2844 12000.0 673.2872 3100.0 700.279 15000.0 701.2823 4800.0 702.2805 1200.0 717.3063 1500.0 717.3961 10000.0 718.4022 3400.0 771.3166 4800.0 773.3165 1700.0 790.45 2600.0 818.4451 16000.0 870.3688 5600.0 871.366 18000.0 872.3639 190000.0 873.3665 73000.0 874.3667 14000.0 1067.074 1000.0 END IONS BEGIN IONS SCANS=270 PEPMASS=846.4766 CHARGE=1 COLLISION_ENERGY=0.0 67.0138 7400.0 72.0814 9500.0 86.0968 230000.0 92.6477 6500.0 96.0987 7600.0 97.8281 7800.0 110.6335 6800.0 118.1371 6500.0 120.0778 12000.0 120.0808 67000.0 123.5639 7600.0 167.6068 6600.0 171.1125 13000.0 172.8256 7000.0 201.1233 19000.0 204.1376 7800.0 216.8505 7400.0 231.1123 38000.0 232.1329 120000.0 233.1649 38000.0 254.1494 8600.0 261.1584 45000.0 267.1337 6700.0 272.1592 9100.0 293.2971 8000.0 330.1805 150000.0 338.1707 36000.0 344.1964 600000.0 345.1991 28000.0 345.2166 990000.0 346.2202 60000.0 355.1972 96000.0 358.1748 11000.0 362.2066 34000.0 367.2333 13000.0 373.2219 10000.0 383.1917 31000.0 401.2181 78000.0 415.2334 15000.0 415.269 42000.0 431.2281 32000.0 443.2646 160000.0 445.244 39000.0 450.2687 18000.0 464.29 37000.0 474.2697 19000.0 484.2543 25000.0 492.2847 330000.0 493.2874 30000.0 502.265 240000.0 514.3015 200000.0 515.304 24000.0 526.3018 32000.0 544.3116 21000.0 549.3066 36000.0 570.3267 16000.0 575.3215 620000.0 576.3249 92000.0 587.3538 33000.0 593.332 81000.0 597.3386 52000.0 600.7139 6900.0 615.349 660000.0 616.3521 72000.0 646.3945 48000.0 648.3726 12000.0 674.3898 500000.0 675.392 67000.0 676.3694 44000.0 692.4045 7000.0 708.1964 6900.0 742.7349 7300.0 745.4263 63000.0 746.4305 11000.0 747.4063 14000.0 804.9239 6600.0 818.4784 9400.0 819.4815 8500.0 END IONS BEGIN IONS SCANS=271 PEPMASS=847.4349 CHARGE=1 COLLISION_ENERGY=0.0 72.0814 1300.0 86.0968 40000.0 91.5064 1100.0 131.1182 2600.0 146.0601 9900.0 159.0918 2100.0 160.0951 1500.0 163.0864 1400.0 174.0547 6100.0 184.073 1400.0 239.0812 2800.0 254.1498 1900.0 257.0915 3300.0 274.118 15000.0 275.1749 1600.0 280.129 1000.0 292.1284 1800.0 303.1698 45000.0 304.165 33000.0 309.1914 1400.0 320.196 3200.0 338.1492 1900.0 338.1705 1700.0 355.1966 4300.0 356.1596 3000.0 369.192 3500.0 373.1864 9000.0 387.202 24000.0 391.1973 2000.0 405.2124 1300.0 409.1855 1500.0 410.2025 1100.0 427.1974 2800.0 429.1762 1200.0 444.2234 7200.0 468.2598 4000.0 474.2345 1700.0 475.2335 1400.0 486.2698 4900.0 488.25 1600.0 493.2436 12000.0 510.2336 2500.0 527.2601 3100.0 528.2447 12000.0 533.2747 1800.0 545.2709 19000.0 546.2735 2000.0 550.2651 1700.0 557.3071 12000.0 558.2705 4700.0 576.2806 75000.0 577.2835 7800.0 594.2911 8900.0 629.3438 1900.0 630.3585 1600.0 640.3449 4500.0 641.3271 1200.0 647.3548 3800.0 657.3386 7400.0 658.355 58000.0 659.3577 6800.0 675.3489 46000.0 676.3524 7000.0 677.3275 4100.0 718.392 1000.0 746.3856 12000.0 747.3878 1800.0 819.4377 2200.0 END IONS BEGIN IONS SCANS=272 PEPMASS=849.3966 CHARGE=2 COLLISION_ENERGY=0.0 120.0656 1100.0 120.0808 14000.0 155.1175 1700.0 162.0907 2200.0 171.1128 7100.0 173.0915 2000.0 183.1124 1500.0 191.1021 3000.0 229.1169 1300.0 231.1127 11000.0 232.1153 1800.0 233.1645 3900.0 242.8951 1300.0 248.1388 1300.0 254.1488 1700.0 261.1595 4000.0 272.1599 14000.0 273.1637 1600.0 275.1753 2200.0 290.1704 13000.0 303.1701 190000.0 304.1732 26000.0 329.6375 19000.0 330.1807 31000.0 344.1965 77000.0 345.2003 13000.0 355.1961 7700.0 364.6577 3700.0 365.1563 16000.0 373.2077 25000.0 379.1533 21000.0 379.6553 7800.0 401.2178 17000.0 415.27 13000.0 438.1852 24000.0 438.6829 160000.0 439.1845 61000.0 443.2646 19000.0 450.2382 94000.0 451.2416 23000.0 476.2496 3000.0 477.1701 4200.0 492.2811 6500.0 496.1765 4400.0 502.2656 20000.0 514.3017 22000.0 520.2762 140000.0 521.2792 24000.0 533.2754 210000.0 534.2787 52000.0 551.2859 27000.0 552.2889 7400.0 560.2064 3900.0 561.2148 10000.0 562.2213 4300.0 589.3329 4900.0 604.349 39000.0 605.3517 9800.0 615.3499 23000.0 632.3439 230000.0 633.3618 240000.0 634.3646 67000.0 650.354 22000.0 652.3345 11000.0 658.2681 38000.0 659.2748 27000.0 686.2628 59000.0 687.2666 19000.0 703.2894 110000.0 703.3806 69000.0 704.2924 38000.0 704.3843 24000.0 721.3917 20000.0 723.3718 14000.0 775.3107 200000.0 776.3135 93000.0 787.3348 35000.0 788.3054 110000.0 789.3091 38000.0 794.4443 29000.0 814.3214 130000.0 822.4393 240000.0 823.4426 100000.0 875.3578 37000.0 876.3585 330000.0 877.3612 130000.0 878.3616 27000.0 1307.3792 1600.0 1492.5072 2100.0 1492.9553 2100.0 END IONS BEGIN IONS SCANS=273 PEPMASS=850.4706 CHARGE=1 COLLISION_ENERGY=0.0 70.2169 4900.0 72.0814 5500.0 80.6232 5100.0 86.0968 160000.0 88.8736 5000.0 90.0747 5100.0 120.0809 42000.0 138.2265 4900.0 139.7576 5100.0 143.1591 5000.0 146.7208 5100.0 149.4552 5200.0 158.6704 5500.0 171.1127 16000.0 173.0915 8400.0 190.122 11000.0 191.1024 6100.0 194.7903 5600.0 207.4004 6400.0 207.4317 5300.0 218.1175 69000.0 227.4315 5500.0 231.1127 25000.0 233.1645 16000.0 254.1488 7000.0 259.5185 4900.0 261.159 25000.0 272.1598 26000.0 282.1432 5100.0 290.1706 28000.0 330.1805 70000.0 331.201 470000.0 332.2042 24000.0 344.1962 460000.0 345.1999 24000.0 345.2126 19000.0 355.1967 19000.0 362.206 8700.0 373.2079 43000.0 401.2021 18000.0 401.2177 27000.0 415.27 29000.0 419.2276 14000.0 443.2645 67000.0 444.2676 8300.0 450.2735 24000.0 455.2055 6700.0 468.281 6600.0 478.2693 170000.0 479.2729 13000.0 492.2807 18000.0 502.2647 44000.0 514.3015 42000.0 520.2755 140000.0 532.3118 14000.0 534.2918 14000.0 548.2703 16000.0 561.3061 370000.0 562.3076 31000.0 579.3158 44000.0 585.9614 5700.0 588.3392 8500.0 597.3391 9000.0 605.3644 37000.0 615.3486 81000.0 616.3527 6800.0 632.3796 41000.0 633.3596 430000.0 634.3626 60000.0 660.3744 290000.0 661.3785 40000.0 678.3831 15000.0 680.3649 28000.0 713.2867 6100.0 731.4117 43000.0 732.4122 7200.0 749.4214 19000.0 751.4002 21000.0 751.4315 7500.0 764.3174 5400.0 767.5126 6000.0 779.4303 21000.0 793.3524 5800.0 805.4461 7000.0 810.4296 5800.0 822.4752 33000.0 823.4776 7800.0 END IONS BEGIN IONS SCANS=274 PEPMASS=850.4866 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 11000.0 120.0809 3100.0 218.1176 2400.0 231.1128 1400.0 233.1647 1400.0 261.1591 1300.0 272.1599 1500.0 290.1704 1300.0 303.1698 14000.0 317.1853 2400.0 330.1808 4900.0 331.2009 21000.0 344.1963 24000.0 345.1999 1700.0 355.1972 1700.0 373.2072 2400.0 401.2178 1800.0 401.2391 1600.0 443.2644 5000.0 450.238 5900.0 450.2743 1600.0 451.2411 1400.0 478.2694 7000.0 502.265 3400.0 514.3011 2700.0 520.2756 5500.0 533.2748 13000.0 534.2759 3700.0 548.3085 2300.0 551.2858 2700.0 561.3063 15000.0 562.3096 1300.0 579.3168 1800.0 615.349 5600.0 616.3519 2300.0 632.3432 8000.0 633.3612 17000.0 634.3636 2500.0 646.3582 3300.0 660.374 12000.0 661.3927 5200.0 680.3636 1800.0 731.4119 2700.0 792.4238 1300.0 814.3434 1400.0 822.4733 1900.0 END IONS BEGIN IONS SCANS=275 PEPMASS=852.4288 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 29000.0 120.0808 13000.0 184.0729 1100.0 219.1129 6100.0 231.1126 4300.0 233.1647 1900.0 249.1227 3600.0 261.1591 2600.0 275.1747 1200.0 302.1494 4100.0 303.1699 82000.0 304.1731 6700.0 332.1591 2800.0 344.1961 33000.0 345.1993 2400.0 357.1915 2900.0 358.1752 2300.0 362.2066 2600.0 378.1805 10000.0 385.186 2900.0 386.1705 2900.0 403.1968 9800.0 415.2333 2000.0 422.2426 3700.0 431.1917 4700.0 445.2434 2200.0 449.2174 7000.0 450.2379 26000.0 451.2422 3700.0 452.2435 1900.0 463.2692 2800.0 479.2287 1700.0 491.2641 4800.0 522.2697 2600.0 532.2542 1900.0 533.2748 53000.0 534.2783 8400.0 535.2812 3900.0 549.4869 2100.0 550.2651 16000.0 551.2859 7500.0 552.2887 1200.0 562.3011 9100.0 616.3521 3300.0 617.355 6200.0 633.3463 3700.0 634.322 2800.0 634.3484 6300.0 635.3529 5400.0 652.3464 2900.0 663.3488 34000.0 664.3523 3900.0 680.3431 18000.0 681.3463 2200.0 705.3858 1100.0 751.3792 5000.0 806.4317 1400.0 824.4322 1800.0 END IONS BEGIN IONS SCANS=276 PEPMASS=852.4492 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 10000.0 120.0803 2500.0 201.123 2000.0 231.1128 1600.0 261.1601 1100.0 284.1602 1100.0 303.1698 31000.0 304.1729 1200.0 320.1807 1100.0 330.1802 5300.0 344.1962 17000.0 385.2075 1500.0 403.2179 2800.0 413.2169 1200.0 415.2693 1200.0 422.2435 2200.0 431.2278 1500.0 443.2643 4600.0 450.2379 10000.0 507.2602 1100.0 532.2755 2100.0 533.2748 34000.0 534.2776 3500.0 544.3123 1700.0 549.269 1500.0 550.2855 6900.0 551.2853 2300.0 604.3468 2500.0 632.3431 16000.0 633.3443 2100.0 635.3757 1800.0 645.3589 2200.0 646.3597 2500.0 652.3319 1300.0 663.3163 2000.0 663.3699 18000.0 664.3732 1700.0 715.3806 1100.0 733.3899 2600.0 753.3786 1700.0 816.4272 1200.0 824.4521 2600.0 END IONS BEGIN IONS SCANS=277 PEPMASS=853.4812 CHARGE=1 COLLISION_ENERGY=0.0 71.2432 2500.0 86.0952 2700.0 86.097 8900.0 86.63 2600.0 91.4116 2800.0 91.5082 6900.0 117.3025 2600.0 120.0807 14000.0 120.8119 2400.0 129.9551 2500.0 139.4186 2600.0 150.1169 2800.0 153.8636 3000.0 155.7477 2500.0 184.6749 2900.0 186.7291 2900.0 187.1075 3900.0 201.123 4300.0 228.1865 3100.0 231.1122 3100.0 232.0773 2700.0 249.1231 4800.0 256.7697 3300.0 269.1223 2800.0 272.1599 17000.0 275.1762 2500.0 303.1697 130000.0 304.1729 6200.0 318.852 2900.0 330.1807 16000.0 344.1961 36000.0 348.191 6300.0 362.2068 13000.0 368.99 2700.0 386.8254 2700.0 387.2222 4800.0 389.2528 3500.0 391.2331 6700.0 401.217 4100.0 419.2279 41000.0 422.2426 15000.0 433.2433 3000.0 443.2646 12000.0 446.2993 2700.0 450.2379 170000.0 451.2404 17000.0 461.2748 3900.0 507.2595 25000.0 514.3018 27000.0 523.2911 10000.0 532.3123 39000.0 533.2748 210000.0 534.2756 18000.0 551.2857 130000.0 552.2885 9500.0 563.7499 3500.0 604.348 7600.0 606.3274 23000.0 629.7153 2900.0 632.3433 340000.0 633.3459 43000.0 647.3752 28000.0 650.3538 61000.0 651.3574 6000.0 703.3796 15000.0 721.3905 45000.0 722.392 7000.0 758.3951 2900.0 823.2452 3000.0 END IONS BEGIN IONS SCANS=278 PEPMASS=853.4815 CHARGE=1 COLLISION_ENERGY=0.0 67.3752 1100.0 70.3933 1100.0 86.0952 1500.0 86.0969 7600.0 86.238 1200.0 91.5063 1700.0 100.0239 1200.0 103.1794 1100.0 114.3659 1200.0 120.0807 5500.0 121.3585 1100.0 133.0971 2600.0 153.2938 1000.0 167.3514 1100.0 186.1235 16000.0 194.4328 1000.0 204.1343 23000.0 231.1125 1900.0 234.4671 1100.0 249.1235 2400.0 272.1596 1700.0 285.1917 5300.0 303.1698 42000.0 303.2024 7700.0 304.1736 4900.0 330.1811 6100.0 344.196 11000.0 345.1997 2200.0 362.207 4400.0 386.2404 1600.0 404.2499 14000.0 415.2714 1700.0 419.2281 5200.0 422.2441 3900.0 429.6787 3200.0 443.2654 3300.0 450.2382 50000.0 451.2421 4700.0 452.2451 2600.0 455.9449 1200.0 461.2739 2100.0 462.2362 1300.0 507.2595 8200.0 532.3123 5800.0 533.2749 67000.0 533.3081 7600.0 534.2762 5700.0 535.2823 2200.0 551.2858 42000.0 551.3148 6000.0 552.2886 4700.0 606.3287 4900.0 617.3553 3500.0 632.3433 96000.0 633.3467 14000.0 635.3539 4600.0 646.3912 19000.0 650.3527 15000.0 651.3577 2000.0 664.4013 9900.0 703.3813 1500.0 721.3906 11000.0 777.6523 1200.0 812.6968 1400.0 817.4603 1900.0 END IONS BEGIN IONS SCANS=279 PEPMASS=854.4646 CHARGE=1 COLLISION_ENERGY=0.0 66.4611 5200.0 69.0029 5600.0 72.0812 13000.0 84.1718 6200.0 86.0946 11000.0 86.0967 190000.0 105.8448 5400.0 120.0807 110000.0 132.4359 6100.0 134.081 19000.0 144.9106 6500.0 150.7611 4800.0 172.0354 5300.0 173.1286 9300.0 178.8891 5500.0 187.1074 95000.0 190.0858 7300.0 201.1234 25000.0 205.1183 60000.0 221.1284 27000.0 231.1125 48000.0 233.164 8600.0 249.1228 44000.0 253.3729 6200.0 261.1591 32000.0 269.019 8900.0 272.1598 66000.0 276.1699 22000.0 286.1756 69000.0 303.1699 1300000.0 304.1732 63000.0 318.1807 21000.0 330.1806 140000.0 344.1964 520000.0 348.1907 46000.0 362.2067 100000.0 367.2338 13000.0 385.244 9400.0 387.2233 94000.0 389.2545 30000.0 391.2336 20000.0 401.2166 35000.0 405.2335 44000.0 419.228 150000.0 422.2431 110000.0 433.2802 51000.0 443.2645 150000.0 450.238 1200000.0 451.2411 110000.0 461.2751 90000.0 469.2791 7400.0 486.3063 9200.0 488.2854 11000.0 507.2594 250000.0 514.3013 67000.0 523.2908 71000.0 532.3121 97000.0 533.275 2100000.0 534.2766 200000.0 551.2854 730000.0 552.2864 49000.0 552.3021 74000.0 553.3052 8700.0 556.6088 6900.0 578.332 18000.0 604.3478 55000.0 606.3276 72000.0 632.3431 1800000.0 633.3465 240000.0 646.3586 24000.0 647.3748 74000.0 650.3531 130000.0 651.3563 18000.0 665.3858 250000.0 666.3894 31000.0 679.1237 7700.0 703.3796 45000.0 704.3851 9800.0 721.3901 76000.0 722.3935 15000.0 762.4132 7300.0 818.4427 11000.0 END IONS BEGIN IONS SCANS=280 PEPMASS=855.9294 CHARGE=1 COLLISION_ENERGY=0.0 61.5714 1300.0 70.2169 1300.0 77.7067 1400.0 86.0967 21000.0 86.2322 1500.0 87.0999 3000.0 115.4761 1300.0 120.0809 2100.0 133.7542 1600.0 137.0163 1400.0 137.189 1600.0 148.4136 1600.0 161.9192 1600.0 171.1123 1500.0 185.1282 2100.0 185.9574 1400.0 187.672 1400.0 191.1021 2100.0 203.4097 1300.0 224.4823 1300.0 253.9772 1300.0 262.1632 1600.0 271.1407 1300.0 286.1754 2900.0 290.1704 1700.0 291.9215 1700.0 303.1696 27000.0 304.1734 16000.0 317.1854 20000.0 318.189 11000.0 344.1964 25000.0 345.1996 18000.0 351.6616 2200.0 364.1781 6300.0 387.1799 14000.0 387.2229 2900.0 387.6816 2400.0 388.2264 2800.0 406.7039 5800.0 421.3463 1600.0 437.7041 180000.0 438.2057 96000.0 438.7078 15000.0 444.2692 1900.0 450.2386 10000.0 451.2415 9700.0 452.2439 6000.0 464.2547 6600.0 465.2569 8500.0 466.2601 3700.0 533.2749 17000.0 534.2768 24000.0 535.2786 19000.0 547.2908 9200.0 548.2926 12000.0 549.296 14000.0 551.2856 3600.0 552.2896 4300.0 553.2916 2200.0 568.8503 1500.0 634.3632 18000.0 635.3647 21000.0 646.359 12000.0 647.3596 25000.0 648.3654 38000.0 649.381 20000.0 650.3826 1900.0 652.3358 2400.0 653.3359 1500.0 654.3385 1600.0 665.3727 2100.0 666.3761 5200.0 701.3326 3900.0 717.3964 2400.0 718.3977 4600.0 719.4011 7000.0 736.408 2800.0 737.4116 5600.0 767.4252 2000.0 810.4642 8900.0 820.4502 15000.0 830.374 36000.0 831.3773 19000.0 END IONS BEGIN IONS SCANS=281 PEPMASS=856.3915 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1500.0 337.1212 25000.0 338.1245 1400.0 378.1478 5800.0 456.1948 1700.0 484.1895 5500.0 503.2274 1300.0 520.2761 2500.0 567.2263 20000.0 568.2282 2300.0 585.2367 2700.0 638.2996 1500.0 666.2949 10000.0 667.3124 6700.0 686.2827 1500.0 737.3329 1800.0 792.3907 3000.0 828.3933 2700.0 END IONS BEGIN IONS SCANS=282 PEPMASS=856.391 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1000.0 273.1226 1800.0 295.1104 1300.0 303.1697 2200.0 330.1807 1400.0 337.1208 44000.0 338.1247 1900.0 373.2081 1300.0 378.1472 12000.0 456.195 1800.0 466.232 1200.0 477.2148 2100.0 484.189 7300.0 502.2644 1400.0 503.2279 2200.0 520.2754 4900.0 541.2108 1400.0 549.2698 2100.0 567.226 37000.0 568.2289 4300.0 585.237 3100.0 602.2956 1200.0 603.3122 2400.0 638.2996 3200.0 648.337 1400.0 666.2941 21000.0 667.3117 15000.0 668.313 2100.0 684.3035 1000.0 686.2855 1900.0 737.3316 4300.0 757.3188 1600.0 774.3796 1800.0 785.3518 2000.0 792.3918 3900.0 828.3944 4900.0 829.3956 1100.0 END IONS BEGIN IONS SCANS=283 PEPMASS=856.444 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3600.0 120.0807 2400.0 191.1026 1200.0 231.113 1500.0 249.1229 1300.0 272.1596 1900.0 303.1701 1500.0 319.1646 23000.0 320.1685 1100.0 330.1805 3100.0 344.1958 4500.0 373.2076 1200.0 391.2177 2000.0 419.2273 2100.0 438.2381 1300.0 450.2372 1400.0 466.2328 20000.0 467.2367 2800.0 520.2766 1100.0 523.254 5100.0 533.275 1900.0 538.2858 2400.0 539.2844 1800.0 549.2696 43000.0 550.2734 5500.0 567.2802 14000.0 568.2836 1400.0 622.3232 1800.0 632.3429 1700.0 648.338 39000.0 649.3407 4800.0 651.3699 2500.0 666.3494 2500.0 719.3757 1300.0 737.3836 1300.0 END IONS BEGIN IONS SCANS=284 PEPMASS=858.4362 CHARGE=1 COLLISION_ENERGY=0.0 81.6576 5500.0 85.7832 5400.0 86.097 5700.0 90.5324 5300.0 95.4176 6500.0 96.1864 5500.0 110.1279 5500.0 118.674 5400.0 129.6265 4500.0 134.8945 4700.0 139.699 4700.0 163.3466 4800.0 187.7251 5600.0 192.7917 5200.0 208.3225 5500.0 218.0411 5000.0 219.2634 5800.0 237.4136 5700.0 281.9152 5100.0 368.2191 5600.0 368.7211 4900.0 374.4735 5500.0 376.267 5000.0 381.1805 5700.0 395.0481 4900.0 427.096 5100.0 442.2536 5100.0 592.0427 5800.0 711.3823 6800.0 739.3787 6300.0 757.3875 17000.0 796.436 9600.0 814.4077 8100.0 END IONS BEGIN IONS SCANS=285 PEPMASS=858.4753 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 13000.0 120.0775 1000.0 120.0807 7300.0 138.0912 1200.0 201.1234 1100.0 209.1284 9200.0 221.1281 1400.0 231.1124 3900.0 233.1643 1200.0 249.123 3300.0 261.1597 2700.0 272.1597 3300.0 275.1751 1100.0 276.17 1600.0 303.1699 75000.0 304.1724 3000.0 320.1956 2200.0 330.1805 10000.0 344.1963 35000.0 348.1917 2900.0 353.2179 2700.0 362.2069 5900.0 367.234 1100.0 389.2541 1500.0 391.2325 1500.0 409.2438 3300.0 419.228 7500.0 422.2427 5500.0 433.2799 2500.0 443.2644 11000.0 448.715 4600.0 450.2381 65000.0 450.2707 1700.0 451.2416 5100.0 461.2746 4400.0 507.2591 16000.0 514.3008 4000.0 523.2906 3500.0 532.3122 5500.0 533.275 130000.0 534.2783 13000.0 551.2853 38000.0 552.2889 4600.0 556.3116 5800.0 604.3491 2900.0 606.328 4200.0 632.3431 98000.0 633.3465 13000.0 650.3531 6500.0 651.3558 1300.0 669.3958 11000.0 670.3997 1400.0 703.3789 2400.0 721.3897 3200.0 814.4088 1400.0 END IONS BEGIN IONS SCANS=286 PEPMASS=859.4222 CHARGE=2 COLLISION_ENERGY=0.0 120.0805 13000.0 121.0834 1500.0 121.8778 1600.0 122.5082 1600.0 124.3559 1700.0 149.4042 1900.0 158.8232 2200.0 160.2713 2300.0 173.0917 2300.0 173.1279 5300.0 191.102 4600.0 199.9496 2300.0 201.1231 7100.0 221.128 4200.0 233.164 2900.0 234.5616 2300.0 243.2599 2500.0 249.1227 3800.0 261.1592 4700.0 266.169 2900.0 269.9125 3100.0 272.16 12000.0 273.164 3700.0 290.1701 2600.0 303.17 150000.0 304.1732 28000.0 330.1805 19000.0 344.1963 61000.0 345.1994 11000.0 348.1911 9800.0 362.2069 20000.0 363.2106 4600.0 373.2082 15000.0 391.2184 31000.0 391.2316 3900.0 392.2222 7300.0 419.2284 33000.0 420.2317 13000.0 422.2435 16000.0 439.7025 43000.0 440.2043 18000.0 443.2646 28000.0 450.2383 210000.0 451.2418 85000.0 452.244 13000.0 461.2752 23000.0 462.278 3200.0 507.2601 40000.0 532.3132 32000.0 533.2755 290000.0 534.2787 150000.0 535.2814 22000.0 538.2864 52000.0 551.2861 160000.0 552.2893 80000.0 553.2928 19000.0 555.5385 3500.0 583.712 3800.0 606.3292 26000.0 607.3319 20000.0 622.359 8800.0 632.3439 580000.0 633.347 420000.0 634.3494 120000.0 650.3544 97000.0 651.3696 130000.0 652.3754 72000.0 653.3762 19000.0 661.3024 6600.0 687.3168 7200.0 703.3823 4900.0 704.3846 6000.0 721.3915 54000.0 722.394 46000.0 723.3975 15000.0 746.3538 10000.0 772.3333 7800.0 772.3704 7000.0 777.3499 7700.0 790.3443 290000.0 791.3471 92000.0 792.3514 9000.0 816.3597 62000.0 822.4389 40000.0 823.4429 35000.0 834.3707 910000.0 835.3737 300000.0 836.3773 29000.0 880.4017 34000.0 1108.771 4300.0 1130.7039 3400.0 1188.4235 4100.0 1197.439 3700.0 1369.9613 4800.0 1487.4039 4000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=860.3914 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 2400.0 644.2739 1100.0 656.4387 1000.0 687.316 6000.0 715.3104 1500.0 731.3542 4600.0 759.3458 12000.0 772.3688 20000.0 773.3695 1900.0 796.3635 1300.0 798.3507 6700.0 816.3592 64000.0 816.4019 2500.0 817.3615 11000.0 END IONS BEGIN IONS SCANS=288 PEPMASS=861.4498 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 11000.0 130.0651 1600.0 159.0916 37000.0 160.095 1200.0 171.1129 1400.0 253.0969 1400.0 254.1494 1700.0 266.1495 2900.0 270.1231 7700.0 272.1594 2300.0 290.1705 1900.0 300.17 3900.0 303.1696 26000.0 304.1732 1000.0 345.2126 1400.0 355.1973 2100.0 369.1918 6700.0 373.2076 3600.0 383.2069 15000.0 401.2025 1700.0 401.2173 1100.0 440.2281 1900.0 443.2282 2200.0 455.228 11000.0 456.2307 1500.0 461.2537 4700.0 482.2753 4500.0 489.249 13000.0 490.2524 1400.0 531.2915 1400.0 541.276 2900.0 542.2601 2000.0 553.3117 2100.0 559.2866 15000.0 560.29 1500.0 572.2855 28000.0 573.2864 3900.0 590.2955 3200.0 643.3597 2500.0 644.3746 1700.0 654.3598 3300.0 671.354 19000.0 672.3709 26000.0 673.3734 2700.0 689.3636 1300.0 691.3428 1700.0 742.3902 4600.0 762.3817 2200.0 790.4116 1700.0 833.4545 2100.0 END IONS BEGIN IONS SCANS=289 PEPMASS=864.4872 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2300.0 86.0968 43000.0 120.0806 11000.0 171.1127 4000.0 173.0918 2500.0 183.1123 1700.0 185.1279 1800.0 190.1217 1000.0 191.1026 1600.0 204.1379 1700.0 218.1172 2400.0 231.1126 6200.0 232.133 18000.0 233.1643 5100.0 254.1484 1100.0 261.1589 7900.0 272.1598 8100.0 286.1758 1800.0 290.17 5300.0 330.1805 14000.0 331.2008 22000.0 344.1962 120000.0 345.1994 5900.0 345.2166 110000.0 346.22 7600.0 355.1969 5300.0 362.2061 4000.0 369.2125 1200.0 373.2072 12000.0 373.2198 1100.0 387.2234 1600.0 401.2018 2800.0 401.2176 6600.0 415.2325 2000.0 415.2697 7200.0 419.228 3000.0 443.2643 20000.0 457.2798 3100.0 463.2538 2000.0 464.2898 3700.0 478.2691 7500.0 492.2843 34000.0 493.288 4100.0 502.2649 8500.0 514.3018 11000.0 520.2758 29000.0 521.2787 3300.0 532.312 5400.0 534.2911 8500.0 561.3059 21000.0 562.3085 2100.0 575.3217 79000.0 576.3253 11000.0 593.3315 9900.0 597.3395 2300.0 605.365 8900.0 615.348 16000.0 633.3594 100000.0 634.362 14000.0 646.3955 8800.0 647.3748 20000.0 660.3737 1200.0 674.3898 67000.0 675.3928 13000.0 691.4178 1200.0 692.3995 3500.0 694.3793 6400.0 745.4268 13000.0 746.4304 1900.0 751.4 1500.0 763.4383 4100.0 764.4407 1000.0 765.4164 4700.0 765.4505 1500.0 793.448 4900.0 819.4634 1000.0 820.4681 1300.0 836.4901 8800.0 837.4899 1300.0 END IONS BEGIN IONS SCANS=290 PEPMASS=865.4444 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 8700.0 146.0599 1900.0 274.1179 5700.0 303.1697 11000.0 304.1649 7000.0 355.1962 1100.0 369.1912 1300.0 373.1864 3500.0 373.2079 1400.0 387.2022 8500.0 427.1971 1100.0 444.2231 1400.0 468.2596 1200.0 486.2699 1500.0 493.2437 2400.0 528.243 1100.0 545.2715 2300.0 546.2544 1500.0 557.3085 1400.0 558.2701 1600.0 563.2812 8900.0 576.2806 22000.0 577.2822 2400.0 594.2911 1700.0 647.3538 2100.0 657.3387 2000.0 658.3557 1900.0 675.3487 13000.0 676.3658 19000.0 677.3673 2700.0 746.3868 3500.0 766.3752 1400.0 837.4478 2000.0 END IONS BEGIN IONS SCANS=291 PEPMASS=865.4813 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 91.5081 3100.0 120.0808 6700.0 162.0917 1200.0 187.1077 1600.0 190.086 1400.0 231.1128 2200.0 261.1595 2300.0 270.1442 1100.0 288.1542 1100.0 301.1549 1500.0 303.1698 70000.0 304.1743 2200.0 330.1806 14000.0 344.1962 22000.0 348.191 1900.0 353.1807 4100.0 354.1655 4300.0 362.2065 1300.0 371.1917 6800.0 399.203 1200.0 415.2702 1400.0 417.2122 6800.0 422.2437 5900.0 443.2649 10000.0 445.2437 2000.0 448.2219 1900.0 450.2381 49000.0 451.2417 4400.0 461.2755 1500.0 466.2334 2000.0 482.239 1100.0 490.2657 1200.0 500.2496 6700.0 502.2652 7600.0 518.2599 41000.0 530.2952 5900.0 533.2748 81000.0 534.2777 8800.0 551.2856 14000.0 552.2879 1700.0 613.3337 12000.0 631.3439 93000.0 632.3434 120000.0 633.3457 15000.0 634.3218 4900.0 648.3387 3500.0 650.3539 6500.0 701.3635 3300.0 719.3749 11000.0 720.3742 1200.0 721.3536 4500.0 733.39 1300.0 775.4007 1000.0 792.427 4200.0 802.4128 16000.0 803.4149 2700.0 820.4227 21000.0 821.4275 4000.0 END IONS BEGIN IONS SCANS=292 PEPMASS=865.4821 CHARGE=1 COLLISION_ENERGY=0.0 74.0966 1900.0 86.0965 5300.0 120.0804 3100.0 231.1124 1400.0 303.1695 3100.0 319.1647 31000.0 320.1682 2300.0 330.1805 4500.0 344.1962 5500.0 345.217 2200.0 355.1968 5300.0 401.2178 2800.0 438.2373 2100.0 443.2648 2000.0 450.2377 1600.0 466.2329 22000.0 467.2369 2000.0 492.2845 1600.0 502.265 28000.0 503.2693 1800.0 514.3018 2700.0 523.2538 1800.0 533.2745 2500.0 549.2696 40000.0 550.2729 4600.0 567.2802 9000.0 575.3217 2100.0 576.3238 1300.0 615.3489 15000.0 616.3524 1800.0 631.3437 2200.0 632.3434 3100.0 648.338 60000.0 649.3411 8000.0 650.3177 3100.0 666.3488 4200.0 674.39 2600.0 675.3937 1600.0 719.3757 6600.0 749.3878 1200.0 784.3331 2500.0 785.3361 1700.0 792.4271 2100.0 802.4113 2000.0 820.4222 8300.0 821.4258 1700.0 828.3584 1400.0 END IONS BEGIN IONS SCANS=293 PEPMASS=865.4814 CHARGE=1 COLLISION_ENERGY=0.0 74.0966 1900.0 86.0965 5300.0 120.0804 3100.0 231.1124 1400.0 303.1695 3100.0 319.1647 31000.0 320.1682 2300.0 330.1805 4500.0 344.1962 5500.0 345.217 2200.0 355.1968 5300.0 401.2178 2800.0 438.2373 2100.0 443.2648 2000.0 450.2377 1600.0 466.2329 22000.0 467.2369 2000.0 492.2845 1600.0 502.265 28000.0 503.2693 1800.0 514.3018 2700.0 523.2538 1800.0 533.2745 2500.0 549.2696 40000.0 550.2729 4600.0 567.2802 9000.0 575.3217 2100.0 576.3238 1300.0 615.3489 15000.0 616.3524 1800.0 631.3437 2200.0 632.3434 3100.0 648.338 60000.0 649.3411 8000.0 650.3177 3100.0 666.3488 4200.0 674.39 2600.0 675.3937 1600.0 719.3757 6600.0 749.3878 1200.0 784.3331 2500.0 785.3361 1700.0 792.4271 2100.0 802.4113 2000.0 820.4222 8300.0 821.4258 1700.0 828.3584 1400.0 END IONS BEGIN IONS SCANS=294 PEPMASS=867.4062 CHARGE=2 COLLISION_ENERGY=0.0 120.0805 2600.0 173.0917 1100.0 191.1021 1500.0 201.1233 1100.0 231.1118 1800.0 249.1228 1200.0 261.1594 1600.0 272.1599 3200.0 303.1699 36000.0 304.1735 6200.0 330.1809 6100.0 344.1963 16000.0 345.1996 2600.0 348.1908 1900.0 362.2068 4600.0 373.2076 3400.0 389.2541 1200.0 391.2178 4500.0 419.2285 7100.0 420.2328 1600.0 422.2429 4400.0 433.2806 2200.0 443.2645 6300.0 444.2682 1600.0 450.2384 50000.0 451.2417 15000.0 461.2762 5100.0 462.2778 1300.0 507.2594 8100.0 532.312 6300.0 533.2755 81000.0 534.2786 22000.0 535.2808 3000.0 538.2864 13000.0 551.2861 44000.0 552.2897 11000.0 553.2939 1500.0 555.2131 1100.0 578.2057 2600.0 578.3333 1100.0 606.3278 7300.0 607.3311 2400.0 632.2553 1900.0 632.3439 150000.0 633.3463 46000.0 634.3491 7800.0 650.3546 26000.0 651.3729 28000.0 652.3748 9000.0 660.2479 3100.0 677.2739 11000.0 678.2764 3600.0 703.29 3200.0 718.2651 3600.0 721.3918 13000.0 722.3939 5100.0 731.2838 3100.0 749.295 58000.0 750.2983 26000.0 761.3195 12000.0 787.3348 11000.0 788.3055 13000.0 793.3219 23000.0 794.325 11000.0 805.3092 43000.0 806.3154 55000.0 807.3187 15000.0 831.3254 13000.0 832.3309 21000.0 894.3688 52000.0 895.3719 18000.0 1012.398 1100.0 1369.8292 1100.0 END IONS BEGIN IONS SCANS=295 PEPMASS=867.4964 CHARGE=1 COLLISION_ENERGY=0.0 86.0951 1200.0 86.0967 7100.0 91.5082 1700.0 120.0807 7000.0 201.123 2000.0 221.1281 1300.0 249.1227 2500.0 272.16 8600.0 303.1698 60000.0 304.1729 1800.0 330.1805 7100.0 334.2118 1100.0 344.1961 15000.0 348.1909 4500.0 362.2068 6100.0 365.1524 5100.0 366.1562 1800.0 373.2073 6400.0 378.1472 2000.0 391.2332 2600.0 401.2175 2500.0 419.2279 26000.0 420.2314 2600.0 422.2432 8100.0 433.2804 2300.0 443.2641 6700.0 450.2379 96000.0 451.2415 9400.0 461.2749 5100.0 507.2591 12000.0 514.3016 11000.0 520.2757 13000.0 532.3121 24000.0 533.275 110000.0 534.278 12000.0 551.2855 79000.0 552.2886 8100.0 595.2575 3000.0 596.2613 1800.0 604.348 2700.0 606.3279 13000.0 632.3431 260000.0 633.3484 19000.0 633.3583 25000.0 634.3643 4000.0 650.3536 46000.0 651.3571 6300.0 669.3967 3200.0 677.3638 1900.0 694.3241 1100.0 695.3286 1200.0 703.3799 7700.0 704.3826 1300.0 721.3907 38000.0 722.3946 6000.0 752.4689 2300.0 804.4283 2300.0 822.3761 14000.0 823.3782 15000.0 824.3827 1500.0 END IONS BEGIN IONS SCANS=296 PEPMASS=872.4524 CHARGE=1 COLLISION_ENERGY=0.0 828.4256 1500.0 END IONS BEGIN IONS SCANS=297 PEPMASS=874.4099 CHARGE=1 COLLISION_ENERGY=0.0 62.357 1100.0 91.5082 1600.0 125.5798 1100.0 131.108 1200.0 131.7178 1000.0 148.5063 1100.0 159.0961 1200.0 169.0569 1000.0 181.5045 1100.0 184.6353 1000.0 200.9919 1000.0 202.1311 1100.0 204.9089 1100.0 394.492 1100.0 445.1703 1100.0 508.0862 1000.0 555.7405 1200.0 561.2155 2500.0 563.0255 1100.0 641.0728 1200.0 650.1368 1300.0 666.4711 1200.0 687.3172 4200.0 700.0818 1200.0 707.8121 1200.0 740.4369 1200.0 743.2886 1200.0 743.9399 1100.0 798.3442 1400.0 800.3436 2400.0 826.3233 1500.0 830.3826 5600.0 842.3996 1100.0 843.3252 2800.0 844.3304 5700.0 END IONS BEGIN IONS SCANS=298 PEPMASS=876.4463 CHARGE=1 COLLISION_ENERGY=0.0 574.2833 1300.0 777.3477 2000.0 778.3521 3100.0 788.3422 1100.0 832.4207 8700.0 END IONS BEGIN IONS SCANS=299 PEPMASS=878.5753 CHARGE=1 COLLISION_ENERGY=0.0 63.9812 1400.0 74.0969 7400.0 79.0548 1500.0 81.0704 3300.0 91.5062 4300.0 95.0858 1900.0 106.0654 3200.0 109.1014 2500.0 111.1173 1300.0 122.0602 1800.0 123.1169 2000.0 134.0601 1700.0 152.0705 22000.0 170.0813 2400.0 184.0729 3000.0 188.0915 21000.0 192.9461 1100.0 206.1021 12000.0 207.7462 1100.0 220.0367 68000.0 221.0408 1400.0 239.237 7700.0 245.2259 1600.0 250.047 16000.0 263.2367 6000.0 268.0576 31000.0 286.0679 42000.0 287.0712 1300.0 304.0786 50000.0 313.273 1500.0 319.2632 3000.0 325.8973 1200.0 337.2729 2400.0 365.2044 1200.0 394.4719 1200.0 420.6795 1300.0 449.1236 1400.0 485.1754 1200.0 508.9092 1300.0 516.3301 1400.0 522.691 1200.0 532.3036 6900.0 538.2927 3200.0 562.3101 1800.0 575.5026 1200000.0 576.5056 150000.0 589.6591 1200.0 600.8788 1200.0 615.3485 1900.0 646.2037 1100.0 660.3738 1600.0 778.7426 1300.0 794.5318 57000.0 795.5348 10000.0 821.4329 1300.0 824.5439 5400.0 842.5522 13000.0 843.5581 2300.0 END IONS BEGIN IONS SCANS=300 PEPMASS=880.4439 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1800.0 120.0806 1700.0 272.1599 4100.0 303.17 16000.0 330.1803 1500.0 344.1965 3600.0 348.1915 1100.0 362.2065 1800.0 401.2174 1400.0 419.228 9100.0 422.2431 1600.0 431.2132 1700.0 443.2648 1200.0 450.238 20000.0 451.2409 1500.0 504.3168 2500.0 507.2584 2100.0 514.3015 4900.0 532.3118 8400.0 533.275 17000.0 534.2776 1600.0 551.2857 14000.0 552.2887 1600.0 576.5053 2200.0 578.2819 4900.0 604.3472 1000.0 606.3276 1700.0 632.3433 32000.0 633.3474 4300.0 650.3538 6200.0 691.3646 13000.0 692.3687 2200.0 703.3804 2800.0 721.3916 5200.0 722.3929 1000.0 798.3159 2000.0 799.3174 1100.0 842.3401 1500.0 843.3453 1100.0 END IONS BEGIN IONS SCANS=301 PEPMASS=880.4444 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1800.0 120.0806 1700.0 272.1599 4100.0 303.17 16000.0 330.1803 1500.0 344.1965 3600.0 348.1915 1100.0 362.2065 1800.0 401.2174 1400.0 419.228 9100.0 422.2431 1600.0 431.2132 1700.0 443.2648 1200.0 450.238 20000.0 451.2409 1500.0 504.3168 2500.0 507.2584 2100.0 514.3015 4900.0 532.3118 8400.0 533.275 17000.0 534.2776 1600.0 551.2857 14000.0 552.2887 1600.0 576.5053 2200.0 578.2819 4900.0 604.3472 1000.0 606.3276 1700.0 632.3433 32000.0 633.3474 4300.0 650.3538 6200.0 691.3646 13000.0 692.3687 2200.0 703.3804 2800.0 721.3916 5200.0 722.3929 1000.0 798.3159 2000.0 799.3174 1100.0 842.3401 1500.0 843.3453 1100.0 END IONS BEGIN IONS SCANS=302 PEPMASS=880.4442 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2300.0 120.0809 1700.0 272.16 4000.0 303.1699 16000.0 330.1808 1400.0 344.1962 3300.0 348.1915 1600.0 362.2068 1600.0 401.2179 1200.0 419.2283 8700.0 422.2421 1800.0 431.2125 1900.0 443.2646 1300.0 450.2379 19000.0 451.2417 1900.0 504.3168 1500.0 507.26 3200.0 514.301 6000.0 532.3121 8800.0 533.2745 17000.0 534.2779 1700.0 551.2856 13000.0 552.2885 1600.0 575.5024 1000.0 576.5056 3700.0 577.5089 1300.0 578.2813 4600.0 606.3279 1400.0 632.3432 32000.0 633.3472 4300.0 650.3533 5900.0 651.3556 1100.0 691.3649 14000.0 692.3676 2400.0 703.3801 3200.0 721.3912 4400.0 760.3994 12000.0 761.4028 2300.0 END IONS BEGIN IONS SCANS=303 PEPMASS=889.4807 CHARGE=1 COLLISION_ENERGY=0.0 64.9385 1400.0 70.0656 13000.0 82.7215 1500.0 92.7575 1500.0 93.8634 1600.0 99.2429 1500.0 103.663 1500.0 105.5915 1400.0 120.7376 4200.0 126.0727 1400.0 133.573 1500.0 136.0759 1800.0 155.0815 4200.0 162.2222 1500.0 164.9827 1500.0 165.3199 1500.0 166.7657 1700.0 174.8695 1600.0 217.1337 29000.0 229.1544 76000.0 230.1574 2700.0 235.144 4700.0 239.095 2300.0 245.1281 55000.0 252.1337 4600.0 258.146 4500.0 263.1386 27000.0 270.1439 2000.0 286.1755 21000.0 298.8119 1600.0 333.1003 1500.0 337.2228 4600.0 342.1808 4300.0 344.1964 4200.0 359.0273 4200.0 360.191 50000.0 365.2179 10000.0 383.2283 1100000.0 384.2317 52000.0 399.202 37000.0 400.2061 2500.0 408.1915 6200.0 408.7244 1500.0 417.2119 4100.0 429.0868 4000.0 441.2491 3200.0 479.2649 25000.0 505.1389 1400.0 507.2597 34000.0 508.2624 3200.0 514.2656 2600.0 530.2961 27000.0 576.3163 7100.0 577.2228 1700.0 604.3117 24000.0 609.3382 7900.0 627.349 590000.0 628.3522 67000.0 633.3384 5500.0 643.3231 2700.0 661.3336 46000.0 662.3375 8900.0 709.07 1600.0 758.3848 3500.0 790.4126 38000.0 791.4122 4700.0 END IONS BEGIN IONS SCANS=304 PEPMASS=893.3608 CHARGE=1 COLLISION_ENERGY=0.0 470.1605 1000.0 512.1575 1300.0 534.191 1100.0 578.2049 2400.0 632.2527 2000.0 633.2574 2500.0 660.246 1400.0 677.2734 8700.0 678.2748 1200.0 703.2872 1100.0 704.2956 1200.0 718.2645 3700.0 731.2813 1200.0 744.2781 1100.0 749.2944 34000.0 750.2967 4800.0 761.319 10000.0 787.2977 2500.0 787.3334 7200.0 788.3044 2400.0 793.32 7700.0 804.3195 1600.0 805.3089 19000.0 806.3153 12000.0 831.3235 3700.0 832.3295 3900.0 849.3375 8000.0 850.3416 8600.0 END IONS BEGIN IONS SCANS=305 PEPMASS=895.5266 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1000.0 73.0763 1500.0 74.0969 610000.0 75.1003 3600.0 86.0969 5800.0 120.0808 1900.0 123.3322 1000.0 171.1125 1400.0 272.16 2000.0 290.1703 1900.0 303.1696 31000.0 304.1728 2600.0 330.181 3500.0 344.1961 13000.0 345.2001 1100.0 345.2131 1300.0 355.1962 1900.0 373.2075 5200.0 415.2693 1000.0 422.2432 1800.0 443.2639 3100.0 450.238 22000.0 451.2417 2600.0 486.749 1000.0 502.2651 4400.0 514.303 1500.0 520.2754 23000.0 521.2793 3300.0 533.2748 45000.0 534.2781 6700.0 551.2863 6200.0 552.29 1000.0 562.223 1200.0 615.3494 3600.0 616.3535 1100.0 632.3432 52000.0 633.3607 52000.0 634.3635 6800.0 641.7568 1000.0 650.354 7300.0 661.3005 4300.0 687.3159 3100.0 703.3804 6200.0 704.381 1900.0 721.3916 3900.0 723.3699 2700.0 723.3994 1100.0 751.4009 2700.0 772.3321 4900.0 787.2968 2500.0 787.3344 1600.0 794.4429 6600.0 795.4441 1100.0 804.4283 12000.0 805.4307 2600.0 816.3598 4500.0 822.4382 52000.0 823.4408 10000.0 831.3218 1200.0 END IONS BEGIN IONS SCANS=306 PEPMASS=899.5237 CHARGE=1 COLLISION_ENERGY=0.0 86.0946 1500.0 86.0967 13000.0 120.0807 9400.0 132.4359 1100.0 134.0811 2400.0 187.1075 9400.0 201.1232 2400.0 205.1184 8400.0 231.1123 5100.0 233.1644 1400.0 249.1225 4400.0 261.1591 2800.0 272.16 9700.0 276.1703 2100.0 286.1758 8600.0 303.1699 130000.0 304.1732 5200.0 320.1963 3000.0 330.1804 17000.0 344.1962 45000.0 348.1908 7000.0 362.2064 14000.0 367.2332 1100.0 385.2432 1600.0 387.2231 16000.0 389.2541 3800.0 391.2329 2300.0 401.2172 3500.0 405.2339 12000.0 419.2281 34000.0 422.2428 14000.0 433.2799 6100.0 443.2646 19000.0 450.238 190000.0 451.2414 16000.0 461.2748 13000.0 462.28 1300.0 488.2859 1100.0 507.2596 34000.0 514.3016 12000.0 523.2904 9700.0 532.3123 26000.0 533.275 310000.0 534.2761 24000.0 551.2853 150000.0 552.2855 6200.0 552.3052 24000.0 553.3049 2200.0 578.3329 2300.0 604.3481 6900.0 606.3275 24000.0 607.3301 3900.0 632.3432 550000.0 633.3459 72000.0 647.3748 11000.0 650.3536 68000.0 651.3565 11000.0 665.3856 78000.0 666.3885 9800.0 677.364 1700.0 703.3801 8400.0 704.382 1700.0 721.3903 36000.0 722.3942 7400.0 818.4424 1700.0 836.4538 49000.0 837.4574 8500.0 854.4636 3500.0 END IONS BEGIN IONS SCANS=307 PEPMASS=899.524 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 205.1178 1100.0 272.1601 1000.0 303.1694 10000.0 330.1807 1600.0 344.1964 3700.0 362.2066 1000.0 405.2338 1600.0 419.2281 2800.0 443.2649 1800.0 450.238 16000.0 461.2753 1200.0 507.2592 2400.0 532.3112 2300.0 533.2748 24000.0 534.2776 3100.0 551.2853 13000.0 552.3048 1900.0 606.3278 1800.0 632.3432 44000.0 633.346 6800.0 647.3731 1100.0 650.3536 6000.0 651.356 1100.0 665.3853 6800.0 721.3905 3900.0 836.4537 3400.0 837.4579 1000.0 END IONS BEGIN IONS SCANS=308 PEPMASS=904.591 CHARGE=1 COLLISION_ENERGY=0.0 81.0702 1300.0 101.0713 2900.0 106.0654 1000.0 152.0707 11000.0 188.0916 7600.0 206.1025 5100.0 220.0368 27000.0 250.047 5300.0 263.2367 3000.0 265.2523 3500.0 268.0574 12000.0 286.0681 16000.0 304.0787 18000.0 319.2629 1600.0 337.2732 1200.0 558.3176 1600.0 599.5024 1600.0 600.505 4900.0 601.5181 440000.0 602.5214 60000.0 615.3504 1200.0 632.3435 1100.0 784.3981 2500.0 785.4017 1000.0 820.5471 21000.0 821.5505 4600.0 850.5572 2900.0 868.5688 5000.0 869.5699 1200.0 END IONS BEGIN IONS SCANS=309 PEPMASS=905.4762 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 23000.0 86.0985 1100.0 120.0808 11000.0 183.1124 1000.0 184.0732 1100.0 203.1027 2500.0 220.0366 1700.0 231.1125 4600.0 233.1648 1300.0 261.1591 1900.0 272.1602 1200.0 274.139 6200.0 275.175 1300.0 302.1861 3100.0 303.1699 82000.0 304.1732 4000.0 330.1805 12000.0 344.196 25000.0 345.1995 1600.0 355.0691 1500.0 355.1972 1000.0 362.2062 1000.0 373.2073 3100.0 401.2173 7300.0 415.2695 4000.0 419.2284 2300.0 422.2434 4100.0 428.2492 3800.0 443.2644 8700.0 450.2379 22000.0 451.2415 1900.0 456.2444 27000.0 457.2482 1600.0 484.2396 1200.0 514.3018 5400.0 532.3129 1600.0 533.275 57000.0 534.2782 5500.0 550.302 1200.0 551.2843 4600.0 575.3174 2000.0 585.3021 2600.0 601.5174 15000.0 602.5215 10000.0 603.3127 54000.0 604.3161 6000.0 604.3486 11000.0 632.3433 32000.0 650.354 2500.0 688.4022 2400.0 698.3855 2300.0 703.38 9600.0 704.3839 1400.0 716.3965 89000.0 717.3998 11000.0 732.3246 1100.0 806.4064 1800.0 816.3369 1900.0 817.3375 1600.0 860.3595 1600.0 861.3643 1300.0 877.4805 5900.0 878.4822 1200.0 END IONS BEGIN IONS SCANS=310 PEPMASS=916.4557 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1400.0 86.0968 25000.0 91.506 1000.0 120.0807 9100.0 231.1126 4000.0 233.1646 4200.0 261.1592 5600.0 275.1744 1600.0 285.1193 2200.0 303.1699 90000.0 304.173 4600.0 330.1804 9500.0 344.1963 21000.0 345.1995 1700.0 384.1869 9100.0 401.2169 2800.0 415.269 1100.0 422.2428 4100.0 439.2287 2900.0 443.2647 7900.0 450.2381 17000.0 451.2409 1800.0 467.2244 11000.0 495.2183 2800.0 502.2648 1200.0 514.3013 3200.0 533.2749 30000.0 534.2773 3600.0 551.2855 1300.0 586.2959 2500.0 597.3387 1100.0 604.3484 1800.0 614.2922 32000.0 615.295 4300.0 628.3074 2000.0 632.343 15000.0 633.3466 2400.0 684.3713 1900.0 699.3813 6000.0 703.3802 1300.0 727.3761 150000.0 728.379 18000.0 746.3488 1600.0 817.3842 1400.0 888.4581 2100.0 END IONS BEGIN IONS SCANS=311 PEPMASS=917.5132 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1800.0 74.2215 1400.0 77.9642 1400.0 86.0966 52000.0 86.0985 2900.0 91.5083 3200.0 112.4108 1400.0 112.9412 1500.0 113.1073 3000.0 120.0805 5800.0 129.2939 1300.0 131.4025 1400.0 150.1576 1400.0 162.4284 1400.0 171.1127 3000.0 184.7429 1300.0 190.0855 1600.0 199.1799 2400.0 201.1238 2300.0 227.1755 13000.0 231.1124 6200.0 233.1645 5400.0 239.0231 1500.0 249.1241 2000.0 254.1492 3300.0 261.1594 2500.0 262.5721 1400.0 272.1602 3000.0 275.1744 2900.0 303.17 280000.0 304.1735 11000.0 330.1806 35000.0 337.1868 2900.0 338.1705 4500.0 344.1962 42000.0 355.1969 13000.0 367.2333 3200.0 373.2223 3000.0 374.2424 9000.0 383.1918 5700.0 388.2589 33000.0 401.2177 19000.0 415.2696 4400.0 416.2537 490000.0 417.257 32000.0 431.2274 10000.0 443.2645 17000.0 457.2798 25000.0 461.2761 3600.0 474.2704 6200.0 475.2917 3400.0 480.3173 5900.0 484.2548 7300.0 502.2652 99000.0 503.2684 7000.0 514.3016 19000.0 526.3017 2700.0 528.3174 4000.0 528.3546 2800.0 556.3483 16000.0 563.3216 120000.0 564.324 13000.0 574.3594 7900.0 587.3537 4200.0 597.3392 7900.0 615.349 74000.0 616.3511 8600.0 620.344 4500.0 627.3853 32000.0 646.3588 150000.0 647.362 16000.0 657.3959 3000.0 664.3699 11000.0 683.4119 1600.0 710.4236 9900.0 717.4318 9900.0 728.4331 230000.0 729.4362 32000.0 745.4273 110000.0 746.4298 14000.0 816.4636 19000.0 818.4418 3000.0 834.8949 1900.0 848.348 1700.0 END IONS BEGIN IONS SCANS=312 PEPMASS=917.5127 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 6300.0 113.1077 3400.0 227.1756 1300.0 303.1701 31000.0 304.1736 1600.0 330.1811 4400.0 344.1964 5300.0 355.1972 2200.0 383.1916 1100.0 388.2592 4300.0 401.218 2600.0 416.2539 52000.0 417.2576 4300.0 431.2289 1100.0 443.2654 1500.0 457.2814 2300.0 502.2654 9200.0 514.3005 2200.0 556.3478 2100.0 563.3218 14000.0 564.3251 1300.0 615.3495 9400.0 616.3522 1300.0 627.3859 3900.0 646.3591 16000.0 647.3621 1500.0 664.3696 1700.0 717.4308 1200.0 728.4332 27000.0 729.4367 3100.0 745.4278 13000.0 746.4292 1300.0 816.4642 2100.0 END IONS BEGIN IONS SCANS=313 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=314 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=315 PEPMASS=918.8123 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=316 PEPMASS=918.8131 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=317 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 101.0713 1300.0 112.0871 1200.0 115.0754 1200.0 117.0912 2400.0 175.1327 1700.0 577.5166 2300.0 591.4967 3100.0 617.5126 5100.0 618.5165 1300.0 END IONS BEGIN IONS SCANS=318 PEPMASS=918.8115 CHARGE=1 COLLISION_ENERGY=0.0 101.0713 1300.0 112.0871 1200.0 115.0754 1200.0 117.0912 2400.0 175.1327 1700.0 577.5166 2300.0 591.4967 3100.0 617.5126 5100.0 618.5165 1300.0 END IONS BEGIN IONS SCANS=319 PEPMASS=918.8122 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1500.0 279.2318 1600.0 577.5182 5600.0 578.5217 1100.0 591.4974 6700.0 617.5132 11000.0 618.5155 2300.0 END IONS BEGIN IONS SCANS=320 PEPMASS=918.8136 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1500.0 279.2318 1600.0 577.5182 5600.0 578.5217 1100.0 591.4974 6700.0 617.5132 11000.0 618.5155 2300.0 END IONS BEGIN IONS SCANS=321 PEPMASS=918.8122 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=322 PEPMASS=918.8117 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=323 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=324 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=325 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=326 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=327 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=328 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=329 PEPMASS=918.8114 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=330 PEPMASS=918.8112 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=331 PEPMASS=918.8119 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=332 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 577.5192 3000.0 591.4979 2200.0 617.5123 5300.0 618.5153 1600.0 END IONS BEGIN IONS SCANS=333 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 577.5192 3000.0 591.4979 2200.0 617.5123 5300.0 618.5153 1600.0 END IONS BEGIN IONS SCANS=334 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=335 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2700.0 END IONS BEGIN IONS SCANS=341 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 END IONS BEGIN IONS SCANS=342 PEPMASS=918.8131 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 END IONS BEGIN IONS SCANS=343 PEPMASS=918.813 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 END IONS BEGIN IONS SCANS=344 PEPMASS=918.8137 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 END IONS BEGIN IONS SCANS=345 PEPMASS=918.8141 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 END IONS BEGIN IONS SCANS=346 PEPMASS=923.6071 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 2300.0 86.0969 4400.0 87.0445 1800.0 89.06 3200.0 115.0755 1700.0 117.0913 5400.0 133.0858 3300.0 175.1326 3000.0 177.1121 1600.0 185.165 1700.0 213.1597 1400.0 229.1181 2800.0 233.1747 1700.0 245.1855 2600.0 328.1862 19000.0 342.2018 2600.0 352.2478 6400.0 360.2118 6000.0 370.2584 6800.0 413.2745 4000.0 439.2181 1400.0 441.27 8800.0 447.3214 1200.0 455.2856 1100.0 459.2804 4500.0 465.3315 10000.0 483.3422 15000.0 484.3467 1300.0 546.3893 2600.0 554.3539 4900.0 564.4 6100.0 572.3646 25000.0 573.3677 1800.0 582.4099 9000.0 596.4262 4200.0 651.4312 1400.0 661.4174 1400.0 679.4266 10000.0 693.4415 2100.0 695.494 3100.0 697.4368 11000.0 711.453 4700.0 764.5161 2600.0 765.4997 1300.0 792.5104 7700.0 793.5128 1100.0 810.5212 17000.0 811.5255 2100.0 824.5361 2700.0 878.5832 1400.0 895.6099 4600.0 END IONS BEGIN IONS SCANS=347 PEPMASS=925.5028 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 104.0709 4300.0 120.0809 4100.0 122.0812 80000.0 303.1698 46000.0 304.1736 2500.0 330.1806 4700.0 338.17 1400.0 344.1959 5800.0 355.1971 7100.0 362.2072 1200.0 367.2335 1100.0 401.217 2500.0 422.2434 4100.0 443.2646 2900.0 450.2379 42000.0 451.2411 3500.0 484.2543 1800.0 502.2651 26000.0 503.2682 2700.0 507.2596 2300.0 514.3013 5100.0 533.2748 44000.0 534.2781 4700.0 551.2849 11000.0 552.2894 1200.0 597.3394 2400.0 606.3267 1900.0 615.3491 49000.0 616.3519 5000.0 632.3431 85000.0 633.3463 12000.0 634.3224 5900.0 650.3534 6300.0 651.3558 1100.0 703.3802 9400.0 704.3817 1500.0 705.3591 1300.0 733.3907 2400.0 776.4319 2700.0 786.4183 3100.0 804.4275 16000.0 805.4301 3000.0 END IONS BEGIN IONS SCANS=348 PEPMASS=935.4867 CHARGE=1 COLLISION_ENERGY=0.0 86.0951 1400.0 86.0968 23000.0 120.0809 9900.0 129.1024 1200.0 130.0971 1200.0 173.0922 2400.0 187.1078 2200.0 191.1022 2200.0 201.1235 1200.0 215.1026 11000.0 231.1125 3400.0 233.113 5800.0 249.1229 1100.0 254.1494 1300.0 270.1442 2000.0 271.1279 1700.0 272.1604 2100.0 275.175 1800.0 286.1393 2200.0 303.1699 85000.0 304.1499 32000.0 304.1729 4600.0 330.1803 5100.0 337.1862 2400.0 344.1964 31000.0 355.1972 11000.0 359.1913 1100.0 362.2068 2600.0 373.2084 2800.0 385.208 6100.0 401.2176 6500.0 403.2181 22000.0 415.2698 3300.0 419.2288 1500.0 422.2435 5300.0 443.2653 5400.0 450.2379 35000.0 451.2408 2800.0 458.2607 3300.0 468.2448 17000.0 486.2553 25000.0 496.2391 2400.0 502.2649 10000.0 514.3016 11000.0 520.2746 3300.0 532.313 2200.0 533.2751 78000.0 534.2788 6400.0 551.2859 15000.0 552.2892 1200.0 597.3385 3300.0 604.3486 11000.0 615.3129 9900.0 615.3489 11000.0 632.3434 70000.0 633.3232 24000.0 633.3483 6500.0 650.3537 5300.0 703.3806 23000.0 721.3897 4100.0 728.3964 17000.0 746.4077 72000.0 747.3697 6000.0 747.4095 11000.0 786.415 1300.0 804.4282 6600.0 805.4297 1500.0 818.4437 1700.0 822.4378 1900.0 836.4175 3900.0 846.4379 6800.0 890.4654 1100.0 907.4904 7100.0 908.4923 2000.0 END IONS BEGIN IONS SCANS=349 PEPMASS=939.4892 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1300.0 237.1094 1400.0 303.1698 4700.0 308.146 3100.0 344.1966 1500.0 401.2183 1200.0 407.2143 2500.0 419.229 1600.0 450.2375 3800.0 490.2517 3400.0 502.266 1300.0 514.3033 1100.0 533.2746 5800.0 551.2855 3000.0 604.3486 5200.0 632.343 11000.0 633.3463 1500.0 637.3189 7400.0 650.3544 1700.0 703.3804 3200.0 705.3802 2800.0 721.392 2100.0 750.4031 6600.0 804.429 1100.0 END IONS BEGIN IONS SCANS=350 PEPMASS=940.4666 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 8200.0 91.5061 3100.0 120.0805 3400.0 231.1127 1900.0 233.1644 1100.0 238.093 3000.0 272.1603 1000.0 276.1085 3000.0 303.17 30000.0 304.1727 1100.0 309.1296 6600.0 330.1806 2900.0 337.1861 1400.0 344.1962 8800.0 355.1969 5200.0 364.1718 1100.0 382.2072 1500.0 408.1981 18000.0 409.2026 1500.0 420.198 3700.0 422.2419 1400.0 443.2649 2300.0 446.2135 2500.0 450.2381 10000.0 463.2412 6800.0 491.2355 100000.0 492.2391 5900.0 502.2651 4200.0 514.3027 1300.0 519.23 2000.0 533.2749 23000.0 534.2784 3400.0 551.2827 1100.0 604.3489 1700.0 615.348 4900.0 632.3436 14000.0 638.3035 110000.0 639.3065 12000.0 642.3605 2400.0 652.3173 1500.0 703.3796 2500.0 723.3936 2600.0 744.6572 1000.0 751.3875 210000.0 752.3906 27000.0 803.3454 1300.0 804.4277 3000.0 831.4385 5800.0 841.3995 1600.0 898.4543 1600.0 900.5573 1100.0 912.4704 3000.0 END IONS BEGIN IONS SCANS=351 PEPMASS=940.6332 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 199.1802 1800.0 213.1596 1400.0 227.1754 9300.0 246.1444 1400.0 326.2435 8100.0 328.1859 6000.0 342.2019 1000.0 344.2539 1400.0 345.2124 3800.0 352.2478 1400.0 370.2582 17000.0 395.2645 2000.0 413.2748 2100.0 423.2588 2800.0 441.2701 53000.0 442.2738 2300.0 455.2857 2100.0 455.3469 1100.0 458.2967 4500.0 465.3319 4900.0 483.3421 65000.0 484.3461 5200.0 508.3489 1400.0 526.3583 3600.0 536.3415 2200.0 554.3537 16000.0 571.3803 73000.0 572.3837 7500.0 578.4155 8400.0 596.426 84000.0 597.4294 7500.0 667.4998 1600.0 677.4831 3900.0 695.494 42000.0 696.4974 5300.0 764.5147 1500.0 792.5109 4600.0 810.5212 2700.0 905.5917 1500.0 END IONS BEGIN IONS SCANS=352 PEPMASS=943.512 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7400.0 104.071 5300.0 120.0808 4700.0 122.0812 78000.0 122.0965 1500.0 131.9149 1000.0 171.1124 1600.0 231.1125 1100.0 233.164 1100.0 272.16 3300.0 275.1742 1200.0 290.1704 4900.0 303.1697 49000.0 304.1732 4600.0 306.2538 1200.0 330.1807 5900.0 344.1963 20000.0 355.1963 1800.0 373.2077 9100.0 380.8329 1000.0 401.2177 1800.0 415.2695 1200.0 419.2277 1500.0 422.2433 4400.0 443.2645 3800.0 450.2381 33000.0 451.2411 3100.0 492.2812 2100.0 502.2648 5900.0 514.3024 2100.0 520.2755 38000.0 521.2788 4400.0 533.275 72000.0 534.278 9700.0 551.2855 11000.0 552.2877 1800.0 604.3469 1700.0 605.3641 2800.0 615.3483 6600.0 632.3433 86000.0 633.3604 82000.0 634.3631 12000.0 650.3533 10000.0 651.3566 1000.0 652.3325 1700.0 703.3806 8500.0 721.39 9700.0 722.3936 1900.0 723.3687 3800.0 751.3998 2700.0 752.402 1000.0 777.4193 1300.0 794.443 11000.0 795.4457 1600.0 804.4274 24000.0 805.4288 3100.0 822.4382 82000.0 823.4405 13000.0 END IONS BEGIN IONS SCANS=353 PEPMASS=943.5262 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 347.1913 3200.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 606.3274 3300.0 607.344 12000.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 END IONS BEGIN IONS SCANS=354 PEPMASS=943.5255 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 END IONS BEGIN IONS SCANS=355 PEPMASS=943.5258 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 END IONS BEGIN IONS SCANS=356 PEPMASS=943.5264 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 END IONS BEGIN IONS SCANS=357 PEPMASS=943.5286 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 347.1913 3200.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 606.3274 3300.0 607.344 12000.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 END IONS BEGIN IONS SCANS=358 PEPMASS=943.5282 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 347.1913 3200.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 606.3274 3300.0 607.344 12000.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 END IONS BEGIN IONS SCANS=359 PEPMASS=943.5294 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 END IONS BEGIN IONS SCANS=360 PEPMASS=943.5284 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 END IONS BEGIN IONS SCANS=361 PEPMASS=943.528 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 END IONS BEGIN IONS SCANS=362 PEPMASS=953.5335 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1400.0 158.1176 2100.0 233.1495 1700.0 303.1695 8800.0 304.1866 7900.0 330.1811 1500.0 344.1958 2200.0 362.2071 1100.0 403.2547 3200.0 419.2286 2900.0 443.2646 1100.0 450.2379 13000.0 451.2411 1100.0 494.2603 1500.0 504.3019 3900.0 507.2592 2300.0 514.3026 1100.0 532.3124 1500.0 533.275 17000.0 534.2788 1500.0 551.2858 9600.0 606.3273 1400.0 607.3444 2800.0 632.3431 31000.0 633.3453 4100.0 650.3539 5400.0 651.3713 2900.0 721.392 4000.0 764.4545 6100.0 END IONS BEGIN IONS SCANS=363 PEPMASS=953.5325 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1400.0 158.1176 2100.0 233.1495 1700.0 303.1695 8800.0 304.1866 7900.0 330.1811 1500.0 344.1958 2200.0 362.2071 1100.0 403.2547 3200.0 419.2286 2900.0 443.2646 1100.0 450.2379 13000.0 451.2411 1100.0 494.2603 1500.0 504.3019 3900.0 507.2592 2300.0 514.3026 1100.0 532.3124 1500.0 533.275 17000.0 534.2788 1500.0 551.2858 9600.0 606.3273 1400.0 607.3444 2800.0 632.3431 31000.0 633.3453 4100.0 650.3539 5400.0 651.3713 2900.0 721.392 4000.0 764.4545 6100.0 END IONS BEGIN IONS SCANS=364 PEPMASS=953.5338 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3700.0 120.0808 3700.0 158.1175 6900.0 173.0917 1200.0 201.1231 2200.0 231.1122 1400.0 233.1495 5600.0 261.1592 1100.0 272.1599 2000.0 303.1699 27000.0 304.1863 22000.0 330.1811 2900.0 344.1961 8900.0 347.1915 3700.0 348.1911 1400.0 362.207 2800.0 391.2333 1100.0 403.2546 7100.0 419.2281 6100.0 422.2434 2900.0 443.2648 4300.0 450.2381 42000.0 451.2418 4200.0 461.2752 2800.0 494.2603 6800.0 504.3018 9800.0 507.2596 7500.0 514.3018 2600.0 532.3116 5500.0 533.275 53000.0 534.2787 5600.0 551.2855 32000.0 552.2886 3800.0 606.3272 4600.0 607.3444 12000.0 608.3478 1300.0 632.3434 91000.0 633.3456 9300.0 650.3542 16000.0 651.3722 7400.0 703.3806 2300.0 721.3907 11000.0 722.3939 1100.0 764.4544 12000.0 765.4573 1900.0 778.4133 1300.0 822.4406 1200.0 907.5253 3100.0 END IONS BEGIN IONS SCANS=365 PEPMASS=953.535 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4200.0 91.5082 1100.0 120.0804 2700.0 158.1175 7300.0 201.1237 2300.0 233.1492 6900.0 246.1438 1700.0 249.1223 1700.0 261.1591 1300.0 272.1603 2000.0 303.1698 30000.0 304.1863 32000.0 330.1805 4800.0 344.196 9400.0 347.1917 3200.0 348.1909 1600.0 362.2064 4200.0 401.2173 1200.0 403.2546 8700.0 419.2286 6900.0 422.243 3300.0 433.2799 1200.0 443.2645 4200.0 450.238 41000.0 451.2414 3800.0 461.2751 3700.0 494.2604 7300.0 504.3016 10000.0 507.2598 7100.0 514.3019 2700.0 532.3121 6700.0 533.2751 50000.0 534.2776 4600.0 551.2854 35000.0 552.2888 3000.0 589.333 1000.0 604.3489 1300.0 606.3278 5100.0 607.3442 12000.0 608.3455 1200.0 632.3433 100000.0 633.345 12000.0 650.3539 22000.0 651.3718 8800.0 652.3732 1600.0 703.3818 2100.0 721.3909 15000.0 722.3946 1700.0 764.454 16000.0 765.4565 1700.0 778.4124 1800.0 822.4371 1900.0 907.5282 5400.0 END IONS BEGIN IONS SCANS=366 PEPMASS=953.5331 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4200.0 91.5082 1100.0 120.0804 2700.0 158.1175 7300.0 201.1237 2300.0 233.1492 6900.0 246.1438 1700.0 249.1223 1700.0 261.1591 1300.0 272.1603 2000.0 303.1698 30000.0 304.1863 32000.0 330.1805 4800.0 344.196 9400.0 347.1917 3200.0 348.1909 1600.0 362.2064 4200.0 401.2173 1200.0 403.2546 8700.0 419.2286 6900.0 422.243 3300.0 433.2799 1200.0 443.2645 4200.0 450.238 41000.0 451.2414 3800.0 461.2751 3700.0 494.2604 7300.0 504.3016 10000.0 507.2598 7100.0 514.3019 2700.0 532.3121 6700.0 533.2751 50000.0 534.2776 4600.0 551.2854 35000.0 552.2888 3000.0 589.333 1000.0 604.3489 1300.0 606.3278 5100.0 607.3442 12000.0 608.3455 1200.0 632.3433 100000.0 633.345 12000.0 650.3539 22000.0 651.3718 8800.0 652.3732 1600.0 703.3818 2100.0 721.3909 15000.0 722.3946 1700.0 764.454 16000.0 765.4565 1700.0 778.4124 1800.0 822.4371 1900.0 907.5282 5400.0 END IONS BEGIN IONS SCANS=367 PEPMASS=953.5343 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 2400.0 104.0709 2200.0 120.0808 1500.0 122.0812 26000.0 218.1174 1300.0 317.1856 1000.0 330.1808 3200.0 331.2011 20000.0 332.205 1100.0 344.1963 10000.0 355.1971 2700.0 401.2169 2300.0 443.2644 3100.0 450.274 1700.0 478.2694 16000.0 479.2722 1500.0 502.2654 17000.0 503.2679 1300.0 514.3017 5300.0 561.3062 19000.0 562.309 1700.0 579.3157 4400.0 597.3383 1800.0 615.3491 45000.0 616.3527 5900.0 629.3655 1600.0 634.3588 1100.0 660.3746 41000.0 661.3774 4700.0 662.3533 2600.0 678.3843 2700.0 731.4116 4000.0 814.4487 1100.0 826.4095 2200.0 827.4124 2000.0 832.4601 6800.0 END IONS BEGIN IONS SCANS=368 PEPMASS=958.4774 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1700.0 148.1121 1500.0 173.0916 1400.0 303.1697 7500.0 309.1298 5600.0 344.1964 2700.0 408.1981 16000.0 450.2379 8400.0 491.2345 3000.0 507.2594 2000.0 509.2458 22000.0 510.2491 1000.0 533.2748 12000.0 534.2779 2000.0 551.2852 6800.0 632.3427 13000.0 633.3445 1900.0 638.3035 1500.0 650.3533 1400.0 656.3141 16000.0 657.3134 1200.0 751.3859 1700.0 769.3979 26000.0 770.4018 3900.0 END IONS BEGIN IONS SCANS=369 PEPMASS=959.5227 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 91.5078 1200.0 120.0809 2600.0 121.0645 5500.0 164.1069 63000.0 165.1099 1200.0 201.123 1800.0 239.1385 17000.0 249.1226 1300.0 272.1599 2300.0 292.1646 1800.0 303.1699 21000.0 304.1736 1100.0 310.1757 22000.0 330.1805 3500.0 344.1966 5400.0 348.1907 1200.0 362.2064 4200.0 409.244 5700.0 419.2281 7000.0 422.2433 2500.0 443.2643 2400.0 450.2379 31000.0 451.2415 3700.0 461.2751 2500.0 494.2602 5200.0 507.2591 5200.0 510.2916 8000.0 523.2899 2600.0 532.3122 5400.0 533.275 29000.0 534.2777 3500.0 551.2855 29000.0 552.2893 3600.0 606.3279 5100.0 607.345 10000.0 608.3469 1500.0 632.3433 74000.0 633.3468 7600.0 650.3537 18000.0 651.3563 2900.0 657.3591 6300.0 658.3632 1100.0 703.3806 1300.0 721.3906 14000.0 722.3945 1500.0 770.4439 8100.0 771.4465 1300.0 778.4125 2200.0 END IONS BEGIN IONS SCANS=370 PEPMASS=959.5222 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6200.0 120.0781 1300.0 120.0808 3000.0 121.0648 13000.0 148.1119 1500.0 164.1069 150000.0 165.1104 3500.0 201.1234 2400.0 231.1119 1200.0 239.1389 31000.0 246.1451 1300.0 249.1227 1600.0 261.159 1300.0 272.16 2800.0 303.1699 33000.0 310.1756 37000.0 330.1806 4800.0 344.1966 8000.0 347.1912 4000.0 348.1915 2500.0 362.2066 3700.0 389.2539 1100.0 409.2432 7400.0 417.2489 1100.0 419.2278 8200.0 422.244 2900.0 433.2809 2200.0 443.2644 5100.0 450.2379 52000.0 451.2417 6000.0 461.2751 4300.0 494.2602 10000.0 507.2593 6700.0 510.2914 11000.0 514.3017 3200.0 532.3121 6400.0 533.275 49000.0 534.2787 5900.0 551.2855 44000.0 552.2886 4800.0 589.3346 1200.0 606.3277 7300.0 607.3446 18000.0 608.3467 2100.0 622.3602 1700.0 632.3433 130000.0 633.3442 13000.0 650.3536 30000.0 651.3566 5100.0 657.3595 8900.0 658.3625 1100.0 661.2979 1200.0 688.3212 1400.0 703.381 3000.0 721.391 19000.0 722.3933 2600.0 770.4432 14000.0 771.4489 2200.0 772.3308 1300.0 773.3345 1600.0 778.4135 3800.0 796.4242 1300.0 816.3585 1600.0 817.3624 2400.0 822.4382 2100.0 844.4197 1100.0 986.9136 1000.0 END IONS BEGIN IONS SCANS=371 PEPMASS=959.5232 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 6200.0 120.0808 3700.0 121.0648 9900.0 122.0811 11000.0 124.0868 1200.0 164.1068 130000.0 165.1103 2600.0 201.1231 1800.0 239.1386 18000.0 246.1436 1000.0 261.1595 1300.0 272.1599 1700.0 303.1699 26000.0 310.1757 19000.0 317.1855 4200.0 330.1803 5000.0 344.196 9500.0 347.1909 2800.0 362.2064 2400.0 373.2072 1400.0 409.2437 4500.0 419.2283 5600.0 422.2428 2800.0 443.2639 3300.0 450.238 34000.0 451.2414 4900.0 461.2745 2400.0 464.2536 1500.0 465.2578 2000.0 494.2599 8400.0 507.2597 5800.0 510.2911 4200.0 532.3119 4600.0 533.2749 38000.0 534.2773 7000.0 548.2944 3400.0 551.2852 27000.0 552.2887 3100.0 606.3272 3800.0 607.3441 15000.0 632.343 76000.0 633.3472 8900.0 634.3636 5700.0 647.3605 8800.0 650.3538 19000.0 651.3564 2500.0 657.3596 4200.0 703.3795 1500.0 721.3904 11000.0 722.3932 1400.0 736.409 1300.0 770.4452 4800.0 778.4128 2100.0 819.4457 2700.0 820.4492 2000.0 822.4384 2100.0 836.4537 1700.0 837.4579 8700.0 838.4589 5100.0 END IONS BEGIN IONS SCANS=372 PEPMASS=967.5504 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 158.1177 1200.0 247.1651 3700.0 303.1698 7300.0 318.2018 16000.0 344.196 2200.0 417.27 2400.0 419.2289 1800.0 450.2383 8400.0 507.2597 1700.0 518.318 2800.0 523.2915 1000.0 533.2752 12000.0 534.2792 1600.0 551.2858 7300.0 621.3599 1100.0 632.3431 20000.0 633.3458 2600.0 650.3538 3700.0 665.3862 2200.0 721.392 3000.0 778.4702 3700.0 819.4077 1800.0 921.5433 1700.0 END IONS BEGIN IONS SCANS=373 PEPMASS=973.5397 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3200.0 91.5081 1400.0 120.081 2100.0 121.0649 3900.0 164.1069 35000.0 187.108 1300.0 249.1235 1400.0 253.1541 10000.0 272.1609 1400.0 303.1698 20000.0 324.1913 21000.0 325.1953 1700.0 330.18 2300.0 344.1962 5100.0 361.2079 1400.0 362.2063 2400.0 419.2279 4400.0 422.2431 2300.0 423.2592 3900.0 443.2654 2400.0 450.238 28000.0 451.2417 2000.0 461.276 1500.0 507.2596 4500.0 508.2762 3600.0 524.3069 3200.0 532.3123 3600.0 533.2751 30000.0 534.2762 2000.0 551.2854 26000.0 552.2898 2300.0 606.3281 1800.0 621.3594 6900.0 622.3618 1200.0 632.3435 55000.0 633.3461 7600.0 647.3748 1500.0 650.3541 11000.0 671.3746 3600.0 721.3915 7900.0 722.3935 1200.0 784.4589 6100.0 785.4619 1000.0 836.4543 1900.0 END IONS BEGIN IONS SCANS=374 PEPMASS=973.8185 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=375 PEPMASS=973.8187 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=376 PEPMASS=973.8185 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=377 PEPMASS=980.6277 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2100.0 78.9852 1200.0 86.0966 19000.0 87.4907 1300.0 88.4971 1300.0 105.0111 1500.0 105.1514 1400.0 108.7041 1300.0 112.2798 1500.0 119.5319 1300.0 132.1018 1600.0 166.5947 1400.0 175.9596 1300.0 180.7144 1300.0 180.8984 1500.0 199.1799 5400.0 201.1228 2700.0 209.0306 1400.0 227.1754 23000.0 229.1179 11000.0 231.17 1600.0 245.186 12000.0 268.1904 1600.0 281.221 2200.0 293.1288 1600.0 296.1851 15000.0 296.1932 1800.0 298.2475 1700.0 314.1955 9300.0 315.2644 3700.0 326.243 14000.0 328.1858 18000.0 342.2021 11000.0 344.2528 2300.0 358.2701 2100.0 360.2121 22000.0 391.2587 3600.0 395.2643 11000.0 396.2488 2700.0 399.2838 2800.0 409.2689 33000.0 423.2592 16000.0 427.2798 46000.0 441.2701 98000.0 442.2729 5700.0 445.2909 6800.0 455.2859 11000.0 457.338 4100.0 459.2803 16000.0 469.2652 2400.0 476.3474 2100.0 496.3003 2900.0 504.3427 11000.0 508.3494 13000.0 522.3527 44000.0 526.3603 10000.0 536.3432 17000.0 540.3635 98000.0 552.3028 1900.0 554.3538 49000.0 555.3574 3300.0 568.3699 6500.0 572.3646 21000.0 586.3795 9200.0 603.4105 8500.0 621.4197 26000.0 637.3802 13000.0 638.6077 7000.0 639.4315 61000.0 640.4351 5600.0 653.447 9100.0 655.3897 34000.0 656.617 6500.0 667.4377 41000.0 685.4485 430000.0 686.4517 51000.0 708.451 3800.0 709.4371 12000.0 718.4379 5700.0 722.47 3800.0 734.5051 7000.0 736.4477 19000.0 750.4632 8700.0 752.5153 30000.0 753.5198 4600.0 754.4584 28000.0 766.5313 3800.0 768.475 14000.0 803.524 4600.0 821.5371 19000.0 822.5193 9300.0 831.5225 4600.0 839.5463 2100.0 849.5324 31000.0 850.5337 2900.0 863.5479 8500.0 865.6003 3900.0 867.5426 60000.0 868.5471 8900.0 881.5582 24000.0 917.5925 1700.0 934.6205 7900.0 935.6041 7600.0 936.6109 2100.0 944.6066 5500.0 952.6315 41000.0 953.6329 7800.0 END IONS BEGIN IONS SCANS=378 PEPMASS=980.6279 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 5900.0 117.091 2700.0 199.18 1600.0 201.1232 1100.0 227.175 3100.0 229.1177 1700.0 298.2117 2500.0 300.1549 5800.0 324.2162 5000.0 342.2016 1800.0 342.2265 2300.0 360.2121 4200.0 367.2336 2800.0 385.2442 1200.0 395.2283 3500.0 413.2385 28000.0 414.2411 1500.0 427.279 1400.0 431.249 4200.0 437.3 7600.0 441.2694 3100.0 455.2849 1300.0 455.3104 8800.0 473.3217 1900.0 479.2496 1200.0 480.317 4800.0 498.3273 4700.0 508.3123 5200.0 526.3226 13000.0 532.3724 2700.0 540.3627 2900.0 540.3999 1900.0 544.3326 6100.0 550.3837 7400.0 568.3945 16000.0 569.3977 1000.0 570.3373 1100.0 603.4108 2400.0 621.421 6900.0 638.607 8100.0 639.4059 10000.0 639.4316 9900.0 641.3752 1600.0 656.6177 8600.0 657.4171 110000.0 658.42 11000.0 681.4795 2700.0 683.4221 4300.0 685.4484 8700.0 708.453 1400.0 709.4373 1400.0 718.4376 2100.0 734.5046 1600.0 736.4479 7900.0 752.5154 6500.0 754.4579 9200.0 755.462 1200.0 796.5045 1300.0 803.5275 1500.0 821.5366 6400.0 822.5228 1500.0 831.5214 2300.0 839.546 1100.0 849.532 9700.0 850.5364 1400.0 867.5422 19000.0 868.5453 2500.0 934.6207 2700.0 935.6044 2000.0 944.6085 2100.0 952.6317 12000.0 953.6348 2100.0 END IONS BEGIN IONS SCANS=379 PEPMASS=980.6284 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1500.0 86.0967 6400.0 115.075 1200.0 117.091 3800.0 175.1323 1600.0 185.1642 1000.0 199.1797 1300.0 201.1225 1400.0 213.1594 1600.0 227.1752 7600.0 229.1178 4200.0 231.1697 3600.0 233.1745 1500.0 282.2784 1300.0 310.2006 5400.0 326.2429 6700.0 328.1857 8700.0 328.2113 4400.0 342.2019 2400.0 346.1965 4700.0 381.2486 1300.0 395.2647 4000.0 399.223 2700.0 423.2596 5500.0 423.2841 10000.0 427.2795 3500.0 441.2701 34000.0 441.2942 15000.0 445.2648 5100.0 451.3152 1400.0 455.2861 2800.0 469.3263 1500.0 508.3483 5500.0 526.3591 4600.0 536.3435 5200.0 536.3682 12000.0 540.3382 4600.0 540.363 12000.0 554.3538 11000.0 554.3788 24000.0 555.3824 2000.0 556.3222 2400.0 558.3479 4700.0 572.3633 4200.0 625.39 2900.0 635.4369 8200.0 637.3786 3800.0 638.6066 12000.0 639.4313 2900.0 643.4012 24000.0 653.4213 15000.0 653.4473 24000.0 655.3903 11000.0 656.6173 16000.0 671.4324 120000.0 672.4359 13000.0 709.4363 2900.0 722.4704 2200.0 724.5198 1200.0 732.4524 1800.0 734.5038 2800.0 736.4484 1700.0 750.463 8600.0 752.5154 7400.0 753.5202 1300.0 754.459 3500.0 766.5318 1400.0 768.4736 9600.0 803.5269 1300.0 821.5362 5700.0 822.52 1800.0 849.5316 9800.0 853.5633 1700.0 863.5469 4100.0 865.5991 1800.0 867.5416 11000.0 881.5571 19000.0 882.5593 2600.0 934.6215 2300.0 935.601 3500.0 944.6017 2300.0 952.6313 14000.0 953.6353 3300.0 END IONS BEGIN IONS SCANS=380 PEPMASS=980.6626 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 4700.0 89.0602 1300.0 117.091 4100.0 133.0858 1800.0 154.1591 1300.0 175.1327 1700.0 199.1804 1900.0 200.1643 2900.0 227.1751 5200.0 229.1181 2900.0 243.1338 1500.0 245.1857 1600.0 255.1697 2800.0 271.2014 1300.0 281.222 1600.0 283.1646 9500.0 283.2009 3600.0 293.1849 3600.0 311.1956 6900.0 324.2161 7600.0 326.2426 2100.0 328.1855 3200.0 342.2018 4100.0 343.2945 8200.0 360.2127 2200.0 392.2534 7600.0 396.2485 12000.0 410.2641 3900.0 414.2588 11000.0 427.3159 4200.0 437.2998 7300.0 441.2703 6600.0 455.2857 1500.0 455.3106 11000.0 456.3789 4700.0 458.2961 2200.0 459.2803 1700.0 472.3382 1500.0 507.2807 3800.0 509.3326 8400.0 523.3732 6900.0 525.2911 19000.0 527.3428 20000.0 540.3997 5900.0 550.3839 5200.0 568.3945 11000.0 571.4052 11000.0 572.3646 6600.0 586.3796 4400.0 594.4099 5800.0 610.3815 2000.0 622.4161 1600.0 636.4582 4600.0 638.3745 9800.0 638.6068 2200.0 640.4266 8600.0 655.4277 2400.0 667.4628 2900.0 670.4733 6700.0 681.4783 3000.0 683.4211 5300.0 698.5058 4400.0 700.4488 1300.0 707.4935 5000.0 709.4734 7200.0 737.4678 27000.0 738.4711 3200.0 749.5411 9100.0 751.457 2000.0 764.4789 1400.0 769.4677 2600.0 778.4952 1400.0 782.4879 3600.0 796.5053 3300.0 804.5472 1200.0 820.5778 5700.0 822.5558 4100.0 832.5422 1800.0 848.6089 16000.0 849.6122 2700.0 850.552 30000.0 851.5547 5200.0 867.5785 1300.0 893.6298 1200.0 895.5736 18000.0 896.5759 2800.0 901.634 1300.0 909.5897 7300.0 919.6446 5000.0 920.6498 1500.0 935.6385 2800.0 936.6732 1600.0 END IONS BEGIN IONS SCANS=381 PEPMASS=987.5174 CHARGE=1 COLLISION_ENERGY=0.0 192.1015 1300.0 303.1697 4900.0 338.1705 5700.0 344.1967 2100.0 419.2278 1300.0 437.239 1200.0 450.238 7700.0 451.2415 1100.0 480.2808 1300.0 507.2603 1700.0 533.2748 11000.0 534.2764 1200.0 538.2861 1600.0 551.2855 6700.0 607.3437 1300.0 632.3434 15000.0 633.3436 2400.0 650.3519 2300.0 685.3531 1400.0 721.3906 1800.0 798.4382 3500.0 END IONS BEGIN IONS SCANS=382 PEPMASS=987.5175 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 3400.0 120.0804 2900.0 173.0916 1300.0 192.1018 9100.0 201.1231 2700.0 221.1279 1400.0 246.1443 1000.0 249.1229 1300.0 267.1333 6800.0 272.1595 1300.0 303.17 24000.0 330.1809 3200.0 338.1705 29000.0 339.174 2000.0 344.1961 7800.0 348.1915 2200.0 362.2068 3300.0 419.2281 5800.0 422.2433 3300.0 433.2797 1200.0 437.2387 7800.0 443.2639 3700.0 450.2382 34000.0 451.2413 2800.0 461.2751 1900.0 494.26 5000.0 507.2595 6400.0 514.3013 2500.0 532.3123 5200.0 533.2751 44000.0 534.2791 5300.0 538.2867 8700.0 551.2853 32000.0 552.2883 3700.0 589.3332 1200.0 604.3484 1700.0 606.327 3800.0 607.3444 9500.0 632.3433 74000.0 633.3447 9700.0 650.3536 14000.0 651.3572 1500.0 685.3541 6600.0 703.381 1900.0 721.3916 7200.0 722.3947 1200.0 778.4125 1800.0 798.4387 12000.0 799.4412 1400.0 822.4384 1800.0 941.5116 3400.0 END IONS BEGIN IONS SCANS=383 PEPMASS=990.6449 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 2500.0 86.0965 31000.0 86.0981 1600.0 86.0985 1500.0 115.0752 1200.0 117.0907 3600.0 133.0853 1500.0 175.1322 2000.0 185.1642 1000.0 199.1799 2000.0 213.1596 2300.0 227.1752 6900.0 229.1176 1500.0 233.1741 1400.0 243.1332 1000.0 245.186 2500.0 296.1962 3700.0 296.2209 1500.0 324.1913 3400.0 324.2162 16000.0 326.2434 3000.0 328.1858 11000.0 342.2019 6200.0 342.2267 5800.0 360.2118 1700.0 380.2169 1200.0 391.2947 5400.0 395.2646 16000.0 409.2803 8000.0 419.2897 17000.0 423.2594 11000.0 437.2769 4700.0 437.3002 22000.0 441.2698 19000.0 451.2542 1300.0 455.2859 4600.0 455.3105 12000.0 459.2805 3900.0 469.2644 1300.0 504.3785 6800.0 508.3486 12000.0 522.3641 4900.0 532.3736 53000.0 533.3764 6000.0 536.3433 6400.0 550.384 29000.0 551.3871 3100.0 552.3019 2900.0 554.3538 18000.0 568.3695 12000.0 568.3946 10000.0 621.4326 12000.0 631.4417 33000.0 632.4446 4200.0 637.4158 8500.0 648.384 2900.0 649.4521 23000.0 650.4558 2800.0 663.4685 2100.0 665.4106 12000.0 667.4376 180000.0 668.4407 20000.0 691.4637 3200.0 718.4738 2700.0 719.4569 2100.0 732.4899 3400.0 733.472 1800.0 746.4683 17000.0 747.4699 2000.0 750.501 3400.0 760.4848 5000.0 761.4675 2900.0 762.5358 17000.0 764.4788 10000.0 778.4946 9200.0 804.5467 1800.0 831.5577 9900.0 832.5372 4200.0 845.5737 1400.0 846.5593 1400.0 849.5683 3100.0 859.5519 14000.0 863.5845 3100.0 873.5705 3600.0 877.5631 22000.0 878.5652 3500.0 891.5787 16000.0 903.6146 2100.0 905.5561 2500.0 944.6415 3000.0 945.6248 4400.0 946.6571 1200.0 962.6524 25000.0 963.6555 5300.0 END IONS BEGIN IONS SCANS=384 PEPMASS=994.644 CHARGE=1 COLLISION_ENERGY=0.0 71.3545 1700.0 72.081 1800.0 84.0446 3200.0 86.0964 38000.0 89.0598 1700.0 91.5083 3300.0 102.9564 1700.0 115.4476 2000.0 116.206 1700.0 116.3136 1700.0 117.0909 1900.0 130.0494 1900.0 175.132 2100.0 176.3522 1800.0 185.1638 3400.0 199.1799 7600.0 199.8699 1800.0 201.1228 7900.0 213.1595 19000.0 227.1752 18000.0 229.1181 19000.0 231.1695 4200.0 245.1852 25000.0 252.9945 2100.0 255.1328 1700.0 256.8867 1700.0 277.239 1800.0 298.212 11000.0 299.1711 1800.0 300.1552 20000.0 324.2161 20000.0 328.1858 25000.0 338.2318 21000.0 342.2023 12000.0 342.2267 14000.0 356.2423 11000.0 360.2122 25000.0 367.2333 9100.0 381.2486 7600.0 395.2283 11000.0 395.2638 4900.0 413.2387 92000.0 423.2845 29000.0 427.2543 71000.0 431.2497 22000.0 441.2704 38000.0 441.2951 30000.0 451.3159 32000.0 455.3105 14000.0 459.2806 19000.0 469.3268 36000.0 494.3335 15000.0 498.328 15000.0 508.3129 17000.0 522.3278 14000.0 526.3228 48000.0 536.368 34000.0 540.3384 36000.0 544.3322 19000.0 554.3535 22000.0 554.379 64000.0 564.3997 33000.0 568.3945 26000.0 572.3641 32000.0 582.4104 71000.0 611.4105 7100.0 617.425 19000.0 635.4365 42000.0 636.4409 5400.0 639.4064 42000.0 643.4005 15000.0 653.4474 82000.0 657.4169 370000.0 658.4205 45000.0 671.4327 390000.0 672.4355 50000.0 685.4483 34000.0 722.4695 9100.0 723.452 6000.0 732.4514 13000.0 736.4837 5900.0 737.4691 7600.0 748.5201 7600.0 750.4639 43000.0 764.4791 16000.0 766.531 48000.0 767.5347 8100.0 768.4747 37000.0 782.4896 21000.0 808.5768 3500.0 810.5203 6200.0 817.5424 5400.0 835.5529 36000.0 836.5377 9600.0 845.5359 13000.0 863.548 58000.0 864.5518 13000.0 877.5642 14000.0 881.5577 120000.0 882.5616 20000.0 895.5739 30000.0 905.5927 3400.0 923.6072 3100.0 930.6294 3300.0 948.637 17000.0 949.6196 18000.0 966.6471 77000.0 967.6495 14000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=1004.665 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 3700.0 86.0966 1700.0 87.0441 1000.0 101.0709 2200.0 115.0752 2100.0 117.0911 4700.0 131.0811 1400.0 133.0856 1700.0 175.1329 3200.0 227.1752 1300.0 233.1738 1300.0 296.1967 1500.0 324.1915 1300.0 326.243 1000.0 338.2319 4200.0 342.202 1200.0 356.242 1400.0 395.265 3100.0 409.2806 2300.0 423.2591 1300.0 441.2702 3700.0 451.3161 3300.0 455.2853 1300.0 469.3263 3400.0 508.3487 1500.0 522.3644 1800.0 546.3888 1500.0 554.3538 6800.0 555.3577 1500.0 564.3997 2700.0 568.3699 4600.0 582.4103 4200.0 621.4333 4300.0 651.4318 2800.0 667.438 82000.0 668.4413 9700.0 679.4265 3900.0 681.4803 2000.0 764.5155 1100.0 774.5 1500.0 778.4954 1100.0 792.5107 3000.0 845.5715 1100.0 846.5599 1500.0 891.5808 2500.0 905.5935 5700.0 976.6678 4900.0 977.673 1100.0 END IONS BEGIN IONS SCANS=386 PEPMASS=1008.6596 CHARGE=1 COLLISION_ENERGY=0.0 69.7177 2700.0 72.081 3500.0 86.0965 40000.0 86.0981 5900.0 90.9795 2900.0 91.5082 5100.0 117.0909 6600.0 123.8559 3000.0 125.0106 3100.0 129.3126 2900.0 132.1015 3400.0 137.4077 2800.0 158.2429 3000.0 161.9492 3400.0 186.898 3100.0 188.7232 2900.0 198.3271 2900.0 199.18 11000.0 201.1229 6700.0 223.435 3100.0 227.1753 39000.0 229.1181 20000.0 243.1331 4800.0 245.1857 24000.0 274.053 3500.0 274.786 3600.0 296.1961 3800.0 297.1813 3400.0 311.1955 5900.0 324.2163 45000.0 326.2433 24000.0 328.1858 36000.0 342.202 24000.0 342.2272 24000.0 358.2681 3700.0 360.2119 33000.0 382.8618 3400.0 395.2642 24000.0 413.2739 11000.0 419.2891 8100.0 423.2595 30000.0 437.3005 53000.0 441.27 190000.0 442.2737 15000.0 455.287 20000.0 455.3108 82000.0 457.2535 9000.0 457.3372 8700.0 459.2804 38000.0 473.3214 12000.0 508.348 31000.0 509.3333 6300.0 526.3589 20000.0 532.3733 29000.0 536.3435 30000.0 540.3995 10000.0 550.3838 73000.0 554.3542 83000.0 568.3945 180000.0 569.3979 22000.0 570.3369 18000.0 572.3647 56000.0 631.4404 19000.0 637.4163 11000.0 639.4414 6700.0 649.4275 6900.0 649.4523 56000.0 665.4111 30000.0 667.4373 80000.0 667.4634 100000.0 683.4218 60000.0 685.4484 850000.0 686.4518 110000.0 736.4857 6400.0 737.4673 15000.0 746.4688 13000.0 762.5369 8700.0 764.4792 32000.0 778.4968 18000.0 780.5468 51000.0 782.4895 43000.0 796.5051 22000.0 808.3832 3300.0 831.5573 5200.0 849.5682 36000.0 850.5489 17000.0 877.5639 62000.0 878.5665 11000.0 891.5783 16000.0 895.5739 110000.0 896.5779 20000.0 909.5909 37000.0 910.5911 5700.0 962.6518 18000.0 963.6355 17000.0 980.6631 75000.0 981.6667 12000.0 END IONS BEGIN IONS SCANS=387 PEPMASS=1008.6591 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 2100.0 229.1184 1200.0 328.1861 1600.0 342.2013 1100.0 360.2125 1300.0 423.2589 1200.0 437.3003 1700.0 441.2702 7800.0 455.3107 3100.0 527.3434 1200.0 536.3436 1300.0 550.3851 2200.0 554.353 2800.0 568.3952 4900.0 572.3646 1200.0 667.4368 2100.0 667.4626 3800.0 671.4341 2200.0 683.4211 2400.0 685.4485 26000.0 686.4522 3100.0 764.4778 1200.0 778.4928 1500.0 780.5458 1600.0 782.4879 1600.0 796.5038 1400.0 849.5657 1300.0 877.5626 2000.0 895.5729 4000.0 909.5873 1700.0 980.663 2200.0 END IONS BEGIN IONS SCANS=388 PEPMASS=1008.696 CHARGE=1 COLLISION_ENERGY=0.0 283.1648 1600.0 311.196 1200.0 371.3257 1500.0 392.2534 1500.0 396.2478 2100.0 414.259 2300.0 441.2702 1200.0 483.3419 1400.0 525.2911 2800.0 527.3431 2600.0 572.3647 1200.0 596.4261 1200.0 599.4367 2200.0 622.4413 1100.0 638.3767 2200.0 640.4259 1400.0 685.4474 1800.0 698.5039 1600.0 765.5009 3000.0 777.5711 1100.0 848.6093 1500.0 876.6415 2800.0 878.5822 4100.0 879.5833 1100.0 923.6056 2200.0 947.6752 1100.0 END IONS BEGIN IONS SCANS=389 PEPMASS=1011.6677 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 2400.0 86.097 5000.0 87.0444 2200.0 89.0601 3300.0 99.0807 2500.0 115.0756 3200.0 117.0912 13000.0 133.0859 4500.0 153.1016 1100.0 157.1224 2100.0 175.1328 6600.0 177.1124 1600.0 199.1808 1700.0 227.1751 3000.0 228.1793 1800.0 229.1191 1500.0 233.1745 3600.0 245.1859 2200.0 291.2156 2000.0 300.1554 1600.0 324.2174 1500.0 328.1859 1100.0 342.203 1500.0 352.2487 1400.0 360.2132 1800.0 361.2164 1500.0 413.2388 4800.0 414.2424 5500.0 415.245 2100.0 441.2704 3700.0 442.274 6000.0 443.2755 2300.0 455.3106 2000.0 456.315 3200.0 457.3164 2000.0 466.3366 1600.0 484.3454 2100.0 485.3484 1700.0 526.3253 1800.0 527.3267 1900.0 528.3293 1700.0 551.3865 2100.0 555.3586 1800.0 569.3982 5400.0 570.4008 5600.0 597.4281 3900.0 598.4317 3800.0 640.4106 2100.0 641.4119 2300.0 657.4167 6600.0 658.4204 18000.0 659.4229 20000.0 660.4263 6000.0 686.4523 17000.0 687.4547 22000.0 713.4611 1200.0 739.4741 1000.0 765.4831 1400.0 766.4869 3200.0 781.5508 1400.0 782.5546 3500.0 783.4937 1700.0 784.4962 3500.0 851.5767 2500.0 879.5696 4000.0 880.5732 3200.0 896.5776 2900.0 897.5808 10000.0 898.5836 4600.0 911.5971 2000.0 964.6589 1600.0 965.645 1200.0 982.6691 7600.0 983.6714 3300.0 END IONS BEGIN IONS SCANS=390 PEPMASS=1016.6249 CHARGE=1 COLLISION_ENERGY=0.0 85.0763 1300.0 87.0443 1900.0 89.0603 1100.0 91.5079 2700.0 95.8273 1000.0 99.2276 1000.0 112.9202 2200.0 112.9953 1000.0 117.0911 5300.0 133.0858 1700.0 175.1143 1000.0 175.1328 3000.0 218.4972 1000.0 225.3711 1100.0 233.175 1800.0 254.2785 1100.0 263.8625 1100.0 264.1443 1000.0 286.4408 1100.0 363.4118 1100.0 441.3021 1100.0 492.4868 1000.0 518.1382 1200.0 589.2247 1100.0 616.8002 1100.0 647.4012 1200.0 772.4455 1700.0 795.6309 1100.0 841.1572 1200.0 903.5381 1300.0 959.5533 2200.0 END IONS BEGIN IONS SCANS=391 PEPMASS=1018.6809 CHARGE=1 COLLISION_ENERGY=0.0 85.0762 1600.0 86.0966 3400.0 89.0598 1300.0 117.0911 3400.0 133.0856 1200.0 175.1326 1600.0 227.1747 1800.0 233.1734 1000.0 296.1963 1100.0 342.2017 2000.0 352.2475 3300.0 370.2584 1000.0 395.2638 1900.0 409.2805 3200.0 437.2751 2000.0 441.2701 3100.0 455.2865 2500.0 465.3314 2500.0 469.3264 1000.0 483.343 2500.0 508.3478 1600.0 522.3647 2100.0 546.389 2700.0 554.3536 4600.0 564.3992 1900.0 568.3696 5300.0 578.415 2300.0 596.425 2900.0 621.4315 3600.0 665.4474 2500.0 667.4377 62000.0 668.441 7600.0 677.4841 2500.0 681.4528 5500.0 693.4418 3100.0 747.4881 1100.0 774.5016 2000.0 788.5156 1400.0 790.5677 1100.0 792.5106 1600.0 806.5266 1600.0 859.5895 1600.0 860.5742 1400.0 887.5841 1800.0 891.615 1100.0 905.5945 5300.0 906.5983 1200.0 919.6113 4100.0 973.6573 1300.0 990.6838 5200.0 991.6884 1400.0 END IONS BEGIN IONS SCANS=392 PEPMASS=1018.6821 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4000.0 91.5061 1600.0 117.0912 2400.0 328.1866 1200.0 352.248 2100.0 395.2652 1500.0 409.2807 1300.0 423.26 1300.0 441.2717 2000.0 447.3214 1400.0 465.3328 2700.0 554.3539 2800.0 560.4048 4900.0 568.3709 1300.0 578.4164 3000.0 596.4266 1300.0 659.4744 3100.0 667.4383 17000.0 668.4409 2400.0 677.4842 2100.0 693.4437 1500.0 774.501 1900.0 790.5684 1800.0 792.5115 1200.0 905.5941 2500.0 919.6117 1300.0 990.6847 3400.0 END IONS BEGIN IONS SCANS=393 PEPMASS=1018.6796 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3800.0 328.1868 1300.0 352.2477 2000.0 395.2646 2000.0 423.2599 1300.0 441.2714 1800.0 447.322 1600.0 465.3312 2200.0 483.3423 1100.0 508.3499 1500.0 554.3534 2000.0 560.4051 6000.0 568.3698 1400.0 578.415 3600.0 596.4268 1400.0 621.4337 1300.0 659.4732 3200.0 665.4478 1400.0 667.4377 16000.0 668.4402 1400.0 677.4843 3700.0 693.4435 1200.0 774.5012 2100.0 790.5678 1900.0 792.5117 1100.0 806.5248 1100.0 887.5836 1400.0 905.5957 3200.0 919.6086 1600.0 990.6835 2800.0 END IONS BEGIN IONS SCANS=394 PEPMASS=1018.6808 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3800.0 328.1868 1300.0 352.2477 2000.0 395.2646 2000.0 423.2599 1300.0 441.2714 1800.0 447.322 1600.0 465.3312 2200.0 483.3423 1100.0 508.3499 1500.0 554.3534 2000.0 560.4051 6000.0 568.3698 1400.0 578.415 3600.0 596.4268 1400.0 621.4337 1300.0 659.4732 3200.0 665.4478 1400.0 667.4377 16000.0 668.4402 1400.0 677.4843 3700.0 693.4435 1200.0 774.5012 2100.0 790.5678 1900.0 792.5117 1100.0 806.5248 1100.0 887.5836 1400.0 905.5957 3200.0 919.6086 1600.0 990.6835 2800.0 END IONS BEGIN IONS SCANS=395 PEPMASS=1020.6591 CHARGE=1 COLLISION_ENERGY=0.0 71.6443 2700.0 72.0811 3600.0 77.5276 2400.0 86.0965 54000.0 94.6956 3200.0 94.8779 2900.0 109.1158 3100.0 117.0907 8500.0 121.2262 2800.0 130.0497 3500.0 132.1015 4300.0 147.8001 3100.0 156.2871 2700.0 159.8601 2700.0 175.132 3200.0 183.1124 5900.0 188.8178 3200.0 199.1803 14000.0 201.1229 11000.0 213.1592 7600.0 227.1752 68000.0 229.1185 32000.0 243.1335 6300.0 245.1853 35000.0 253.0449 2600.0 281.2215 3800.0 283.1644 3800.0 296.196 7900.0 311.1954 8800.0 325.1752 5100.0 326.2429 39000.0 328.1859 53000.0 336.2162 61000.0 342.2018 38000.0 354.2268 37000.0 355.2948 11000.0 360.2123 48000.0 395.2647 33000.0 396.2486 5300.0 396.2675 5400.0 413.2758 15000.0 423.2594 49000.0 431.2896 9500.0 441.2702 290000.0 442.2741 16000.0 449.3002 99000.0 455.2859 34000.0 459.2805 48000.0 467.3111 130000.0 468.3133 12000.0 469.2538 11000.0 485.3212 18000.0 508.3487 43000.0 509.3323 9300.0 526.359 36000.0 534.3885 8900.0 536.3445 46000.0 544.3734 36000.0 554.3539 130000.0 562.384 120000.0 572.3643 66000.0 580.3947 250000.0 581.3975 25000.0 586.3804 28000.0 621.4327 7400.0 639.4423 17000.0 640.4249 5200.0 643.4421 27000.0 644.443 4700.0 649.418 15000.0 661.4521 74000.0 667.4384 110000.0 679.4631 170000.0 685.4484 1100000.0 686.4516 150000.0 695.4211 70000.0 703.4626 5700.0 710.5046 4700.0 721.4734 8300.0 731.4592 5200.0 748.485 13000.0 749.4689 30000.0 758.4696 21000.0 776.4794 54000.0 790.4952 29000.0 792.5466 77000.0 793.5504 16000.0 794.4902 61000.0 806.5632 7900.0 808.5065 34000.0 843.5583 7300.0 844.5405 3900.0 861.568 36000.0 862.5497 30000.0 871.5527 15000.0 889.5637 90000.0 890.5674 20000.0 893.5944 8800.0 903.5786 21000.0 905.6299 12000.0 907.5741 170000.0 908.5772 32000.0 921.5899 54000.0 922.5922 9400.0 974.6519 19000.0 975.6357 25000.0 976.6414 4200.0 984.6375 14000.0 992.6631 120000.0 993.666 23000.0 END IONS BEGIN IONS SCANS=396 PEPMASS=1022.5546 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 120.0806 6500.0 171.1127 1200.0 221.1283 2200.0 233.1645 1300.0 249.1231 4500.0 261.1591 2100.0 272.1599 2200.0 282.1807 4100.0 284.1597 3600.0 290.1705 2300.0 303.1699 65000.0 304.1734 3300.0 330.1806 3600.0 334.2122 1400.0 344.1961 14000.0 348.1915 1100.0 353.2172 1300.0 355.1967 2400.0 355.2331 1100.0 362.2064 6600.0 373.2072 5800.0 383.228 6500.0 401.2029 1300.0 422.2433 6400.0 427.2337 1200.0 431.2281 17000.0 432.2311 1300.0 443.2648 4600.0 450.238 65000.0 451.2414 5700.0 454.2655 7700.0 461.2746 1800.0 472.2757 10000.0 507.2597 7800.0 523.2904 3300.0 526.3016 4900.0 533.2748 61000.0 534.2775 7200.0 544.3121 13000.0 551.2854 40000.0 552.2888 3800.0 555.3121 6200.0 573.3231 39000.0 574.3268 3900.0 601.3338 4300.0 606.3273 2700.0 625.3688 3200.0 632.3431 70000.0 633.3464 9100.0 643.3802 5300.0 650.3538 8100.0 651.3568 1000.0 684.3695 1000.0 692.3969 1400.0 696.4073 1400.0 702.3812 6900.0 714.4177 5500.0 715.3801 4000.0 720.3914 77000.0 721.3943 9600.0 733.3906 10000.0 751.4002 1300.0 804.465 3600.0 805.4811 2200.0 815.4649 11000.0 832.459 13000.0 833.4754 170000.0 834.4785 29000.0 852.4492 4900.0 903.4958 12000.0 904.5009 2300.0 923.4867 2400.0 951.5151 2200.0 994.5609 4000.0 END IONS BEGIN IONS SCANS=397 PEPMASS=1022.6386 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 2300.0 227.1636 1300.0 227.175 5700.0 229.1178 3300.0 245.1859 2600.0 326.2431 3300.0 328.1859 4500.0 338.1956 12000.0 342.2018 3200.0 356.2062 5400.0 360.2122 4700.0 395.2648 3200.0 413.2745 1300.0 423.2597 4900.0 433.2689 3300.0 441.2702 29000.0 442.2737 2000.0 451.2794 12000.0 455.2863 4400.0 457.3379 1200.0 459.2809 5800.0 469.2901 18000.0 487.3011 3600.0 508.3485 4500.0 509.3333 1100.0 526.3586 3600.0 536.3433 6200.0 546.3529 4400.0 554.3539 16000.0 564.3633 13000.0 572.3643 6700.0 582.374 31000.0 583.3778 3200.0 586.379 2800.0 639.4424 1200.0 645.4215 3300.0 649.4273 1200.0 663.4316 9700.0 667.4378 17000.0 681.4421 22000.0 685.4485 170000.0 686.4515 20000.0 697.4007 8200.0 751.4477 2800.0 776.5183 2900.0 778.4583 7800.0 792.4745 2800.0 794.5259 8600.0 796.4695 8600.0 808.5431 1300.0 810.4835 4000.0 845.5351 1400.0 863.5496 4400.0 864.5282 2500.0 873.5308 2600.0 891.5433 12000.0 892.5449 2500.0 905.5576 2800.0 907.6098 2000.0 909.5531 22000.0 910.5554 5100.0 923.5688 8300.0 924.5735 1100.0 976.6328 3300.0 977.6166 3900.0 986.6168 2800.0 994.6412 13000.0 995.648 2900.0 END IONS BEGIN IONS SCANS=398 PEPMASS=1022.638 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 13000.0 117.0911 2400.0 175.1324 1700.0 199.1798 2200.0 201.123 2400.0 227.1751 8800.0 229.1183 5800.0 245.1855 9800.0 320.1855 3400.0 326.2431 4500.0 328.1863 12000.0 338.1952 4900.0 342.2016 4500.0 356.206 4000.0 358.2689 1000.0 360.2123 8000.0 395.265 3700.0 413.2751 2100.0 414.2596 2100.0 423.2592 4600.0 423.2841 3000.0 441.27 38000.0 442.2735 3000.0 451.2795 40000.0 452.2831 2900.0 455.2852 4300.0 459.2802 12000.0 469.29 15000.0 473.2962 1900.0 508.3494 4300.0 526.3589 4400.0 536.3428 3500.0 536.3685 8100.0 538.3109 1000.0 546.3516 4300.0 554.3536 16000.0 564.3634 69000.0 565.3668 8200.0 572.3641 11000.0 582.3738 24000.0 586.3799 4500.0 639.4423 1100.0 645.4224 3000.0 649.4266 1300.0 663.4316 44000.0 664.434 5800.0 667.4374 13000.0 681.4417 15000.0 685.4482 150000.0 686.4515 19000.0 705.4404 1000.0 751.4479 1700.0 760.4482 1800.0 778.4583 8600.0 792.4739 2000.0 794.5257 4000.0 796.4681 4100.0 810.4846 2600.0 862.5901 1100.0 863.5471 3400.0 864.5345 2000.0 891.5416 9700.0 892.5453 2400.0 905.5565 2200.0 909.5521 12000.0 910.5556 1900.0 923.5667 5300.0 976.6304 1700.0 977.6132 2100.0 994.6414 10000.0 995.6495 2100.0 END IONS BEGIN IONS SCANS=399 PEPMASS=1022.6775 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 6700.0 91.5081 1300.0 115.0751 1400.0 117.0906 4900.0 175.1323 2900.0 199.1801 2400.0 201.1228 1900.0 227.1754 9700.0 229.1181 4700.0 233.174 1700.0 245.1856 6700.0 326.2433 5400.0 328.1862 7100.0 338.2316 8900.0 340.2588 1300.0 342.2014 4900.0 356.2426 4400.0 357.3104 3100.0 360.2121 5300.0 395.2646 4200.0 413.2746 2000.0 423.2592 5300.0 437.2749 1300.0 441.27 36000.0 441.3313 1500.0 442.2731 1900.0 451.3159 11000.0 455.2855 9800.0 457.337 1900.0 459.2802 4800.0 469.3266 17000.0 487.3365 1500.0 508.349 3800.0 509.3323 1800.0 525.2906 2300.0 526.3585 5200.0 536.3426 5200.0 546.3892 4300.0 554.3541 26000.0 554.4142 3700.0 564.4 12000.0 572.3644 8000.0 582.41 31000.0 584.3535 4100.0 638.3733 1700.0 639.4429 1000.0 645.4575 3500.0 649.4276 1200.0 663.4684 10000.0 667.4379 12000.0 681.4786 16000.0 685.4483 170000.0 686.4514 21000.0 697.4371 15000.0 751.4842 2600.0 776.5533 3900.0 778.495 7800.0 792.5103 5700.0 794.5624 15000.0 796.5056 9900.0 808.5771 2800.0 810.5208 7200.0 845.5738 2200.0 863.5841 11000.0 864.569 3100.0 873.5702 2900.0 881.5961 2100.0 891.5792 18000.0 892.5807 3400.0 905.5946 3100.0 907.6466 3900.0 909.5897 28000.0 910.5938 4200.0 923.6049 12000.0 924.6082 1900.0 976.6684 4200.0 977.6503 3600.0 986.6559 2500.0 994.6791 22000.0 995.6804 4700.0 END IONS BEGIN IONS SCANS=400 PEPMASS=1022.675 CHARGE=1 COLLISION_ENERGY=0.0 84.0447 1200.0 86.0965 9200.0 89.0597 1400.0 117.0908 5900.0 130.0498 1000.0 133.0856 1800.0 175.133 2700.0 199.1805 4600.0 201.1228 2100.0 227.1753 12000.0 229.1181 5400.0 233.1742 1600.0 245.1858 8500.0 310.2004 1400.0 311.1955 1200.0 326.2432 6600.0 328.186 9800.0 338.232 11000.0 342.2019 5800.0 356.2421 4700.0 357.31 3200.0 360.212 8400.0 392.2534 1600.0 395.2648 5900.0 413.2751 2300.0 423.2596 7300.0 441.2702 49000.0 441.295 2300.0 441.33 2700.0 442.2736 3800.0 451.3162 14000.0 455.2854 11000.0 457.3382 2700.0 459.2807 7400.0 469.3267 21000.0 487.3371 1700.0 508.3484 5500.0 525.292 2400.0 526.3592 7400.0 536.3435 5600.0 536.3688 2300.0 546.3896 6600.0 554.3542 34000.0 564.3998 17000.0 572.3644 12000.0 582.4105 35000.0 584.3533 4600.0 586.3802 5300.0 635.4387 1100.0 638.3747 3300.0 639.4424 1600.0 645.4573 4500.0 649.4273 1100.0 663.468 9900.0 667.4379 16000.0 681.4785 18000.0 685.4485 220000.0 686.4514 30000.0 697.4374 15000.0 760.486 4100.0 776.5523 5200.0 778.4951 7900.0 792.5099 5200.0 794.5628 21000.0 796.5063 9600.0 808.5792 2400.0 810.5221 7700.0 811.5227 1300.0 845.5736 2200.0 863.5847 13000.0 864.5673 2400.0 873.5677 3300.0 881.5588 2100.0 891.5793 22000.0 892.5834 4200.0 905.5946 4100.0 907.6461 3900.0 909.59 33000.0 910.5927 5000.0 923.6049 15000.0 924.6107 2700.0 976.6758 3000.0 977.6509 5500.0 986.6535 3100.0 994.6409 7700.0 994.6796 23000.0 995.639 6800.0 1048.5623 21000.0 1049.5652 20000.0 1050.5643 15000.0 1051.5663 4600.0 1052.5596 1500.0 END IONS BEGIN IONS SCANS=401 PEPMASS=1022.6757 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2500.0 77.1115 1300.0 84.0447 1500.0 86.0967 29000.0 91.5059 2100.0 94.5416 1300.0 107.4175 1200.0 110.0673 1200.0 117.0909 2700.0 130.0496 2100.0 132.1015 1700.0 142.8116 1300.0 169.2837 1100.0 175.1324 1700.0 185.1646 2300.0 199.1807 8000.0 201.1228 3700.0 213.1595 6800.0 215.1021 2100.0 227.1752 28000.0 229.1182 15000.0 245.1855 16000.0 274.4651 1200.0 281.2212 2100.0 283.201 1300.0 286.1647 1100.0 296.1959 3700.0 297.18 1500.0 312.2274 2900.0 326.2433 17000.0 328.1862 31000.0 338.2319 21000.0 342.2017 14000.0 344.2546 2900.0 352.2472 3500.0 356.242 15000.0 357.3101 5600.0 360.2121 27000.0 395.2646 11000.0 396.248 3000.0 413.2742 7600.0 423.2592 20000.0 427.2543 15000.0 433.3059 4100.0 441.2701 130000.0 442.2739 7600.0 451.316 42000.0 455.2859 13000.0 459.2806 24000.0 469.3265 73000.0 471.2693 4800.0 487.337 9300.0 508.3483 20000.0 509.3321 3700.0 526.3593 16000.0 536.3431 19000.0 540.3382 6200.0 546.3893 18000.0 554.3537 59000.0 564.3995 51000.0 572.3644 31000.0 582.4102 140000.0 583.4138 13000.0 586.3803 13000.0 621.4317 4000.0 633.4203 3400.0 639.4431 10000.0 645.4572 14000.0 646.4597 2300.0 649.4262 4900.0 663.4683 36000.0 667.4379 60000.0 671.4326 69000.0 681.4783 94000.0 685.4482 510000.0 686.4514 65000.0 711.4535 5000.0 712.521 3000.0 723.4874 1500.0 726.2169 1200.0 732.4907 1800.0 751.4832 9500.0 760.4844 9000.0 778.4951 29000.0 792.5093 13000.0 794.5626 31000.0 796.5052 40000.0 808.5773 5100.0 810.5209 18000.0 811.5255 2000.0 826.9592 1500.0 845.5755 6600.0 846.5556 1700.0 863.5839 21000.0 864.5635 7400.0 873.5683 4900.0 881.5937 4800.0 891.5788 42000.0 892.5828 5500.0 905.5951 12000.0 907.647 6400.0 909.5895 88000.0 910.5926 18000.0 923.6053 31000.0 924.6075 6500.0 976.6691 10000.0 977.6505 13000.0 978.6544 3300.0 986.6534 8600.0 994.6781 54000.0 995.6802 11000.0 END IONS BEGIN IONS SCANS=402 PEPMASS=1024.6545 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1500.0 227.1747 1700.0 245.1854 1100.0 322.2001 1100.0 326.2434 1000.0 328.186 1500.0 340.2112 1200.0 360.2127 2100.0 423.2588 1500.0 435.2855 2000.0 441.2702 10000.0 453.2957 5100.0 455.286 1200.0 459.2808 2100.0 471.3048 1700.0 508.3486 2000.0 526.3588 1600.0 530.3574 2100.0 536.3434 2700.0 538.3856 1000.0 548.3686 5000.0 554.3541 6400.0 566.379 11000.0 567.3833 1500.0 572.3641 2700.0 629.4274 1100.0 647.4376 5500.0 665.4475 8100.0 667.4379 7000.0 679.4629 1500.0 681.4052 4500.0 685.4484 79000.0 686.4518 9500.0 762.4637 3100.0 776.4776 1600.0 778.5321 3200.0 780.4742 4000.0 794.4893 1700.0 847.5543 3200.0 875.5482 7200.0 876.549 1200.0 893.5578 12000.0 894.5627 2300.0 907.5747 2200.0 961.6226 1500.0 978.6466 6700.0 979.6501 1100.0 988.6318 17000.0 989.6367 3100.0 END IONS BEGIN IONS SCANS=403 PEPMASS=1024.6524 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7500.0 115.0752 1800.0 117.0911 2700.0 175.1323 1200.0 199.1802 1000.0 227.1752 5600.0 229.1181 3000.0 245.1856 6000.0 310.2118 1100.0 312.1548 1400.0 328.2224 4700.0 330.1651 6000.0 338.2322 5700.0 342.2014 2700.0 352.2478 1100.0 356.2424 3700.0 357.3104 1300.0 360.2119 4900.0 397.2445 2700.0 415.2548 1800.0 425.2386 9200.0 429.2341 2500.0 441.2702 1300.0 443.2492 36000.0 444.2528 2600.0 451.3157 9300.0 457.2646 1700.0 461.2596 8400.0 469.3266 11000.0 470.3298 1100.0 487.3369 2300.0 510.3278 3900.0 511.3117 1300.0 528.3386 5300.0 538.3227 8500.0 542.3173 1600.0 546.3884 2200.0 554.4149 2300.0 556.3335 15000.0 564.3995 6800.0 574.3434 9200.0 582.4101 19000.0 584.3528 2600.0 623.4117 1000.0 625.3909 1100.0 641.4213 1800.0 647.4374 3500.0 649.3813 1100.0 665.4475 8400.0 669.4174 22000.0 673.4119 15000.0 683.4583 7300.0 687.4277 150000.0 688.4313 18000.0 701.4434 8500.0 711.454 1300.0 744.452 1500.0 762.464 6000.0 778.5315 5900.0 780.4747 8100.0 796.542 3100.0 798.4845 9300.0 810.5217 2700.0 847.5561 3000.0 865.5629 2300.0 866.5485 1200.0 875.5473 6900.0 893.558 13000.0 894.5613 1700.0 911.5685 21000.0 912.5732 3600.0 923.6055 1900.0 978.6472 4500.0 979.629 2500.0 980.6237 2900.0 988.6313 8500.0 996.6578 14000.0 997.6589 3000.0 END IONS BEGIN IONS SCANS=404 PEPMASS=1024.6537 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 6000.0 115.0752 1300.0 117.0912 4600.0 175.1328 2200.0 199.1801 1500.0 201.123 1300.0 227.1751 6200.0 229.1181 2500.0 233.1749 1000.0 245.1855 6000.0 322.2008 2700.0 328.1863 3600.0 330.1654 3800.0 338.232 3100.0 340.2111 5300.0 342.2017 3100.0 356.2426 1000.0 358.2218 2200.0 360.2123 4000.0 395.2651 1400.0 397.2434 2000.0 423.2599 2300.0 425.2387 4800.0 435.2847 6400.0 441.2701 17000.0 442.2735 1600.0 443.2494 18000.0 451.3164 4200.0 453.2951 9200.0 459.2802 2800.0 461.2596 5000.0 469.3266 7300.0 471.3059 4700.0 510.3291 2600.0 526.3596 2000.0 528.3393 2400.0 536.3423 2600.0 538.3227 4400.0 548.3686 9600.0 554.3535 5800.0 556.3333 9200.0 566.379 11000.0 574.343 4500.0 582.4104 11000.0 584.3901 7500.0 629.4257 1400.0 647.4368 8400.0 648.4386 1700.0 665.4473 11000.0 669.4167 11000.0 683.4576 8000.0 685.4487 30000.0 687.4277 86000.0 688.4315 11000.0 701.4426 1700.0 744.4512 1000.0 762.4636 6200.0 778.5316 4400.0 780.4742 9300.0 794.489 2000.0 796.542 3800.0 798.485 7000.0 810.5208 1200.0 835.5894 1300.0 847.5521 2300.0 865.5644 3000.0 875.5476 5700.0 876.5494 1400.0 893.5576 14000.0 894.5607 2600.0 907.5707 3100.0 911.5688 16000.0 912.5728 3200.0 925.5845 2000.0 978.6472 4400.0 979.6349 1600.0 980.6255 1500.0 988.6314 9400.0 996.658 11000.0 997.6591 2200.0 END IONS BEGIN IONS SCANS=405 PEPMASS=1025.6851 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 4500.0 87.0445 1200.0 89.0601 2600.0 91.5063 1800.0 115.0756 2600.0 117.0911 6500.0 133.0855 2300.0 175.1327 3700.0 177.1121 1200.0 227.1751 3000.0 228.1786 1300.0 229.1183 1600.0 233.1747 2900.0 245.1859 1700.0 328.1869 1700.0 329.1906 1400.0 338.2316 1000.0 339.2362 2000.0 342.2023 1300.0 356.2433 1100.0 360.2121 1400.0 361.2162 1600.0 441.2703 6500.0 442.274 6800.0 443.2758 3600.0 451.3159 2000.0 452.3194 3000.0 453.3221 1100.0 469.326 2500.0 470.3293 4100.0 471.3325 2100.0 554.3539 2700.0 555.3568 3200.0 565.4036 3000.0 582.41 3700.0 583.4133 5800.0 584.4167 5500.0 647.4633 1000.0 668.441 2900.0 683.4841 4100.0 685.4484 9500.0 686.4515 27000.0 687.4545 31000.0 688.4577 7300.0 779.4976 1000.0 780.501 1300.0 795.5659 1100.0 796.5684 1500.0 797.5095 1200.0 798.511 2700.0 812.5275 1200.0 865.5888 1300.0 892.5803 1200.0 893.5842 3700.0 894.5872 1300.0 907.6009 1200.0 910.5912 1300.0 911.5956 7000.0 912.5974 2500.0 925.6113 2300.0 926.6169 1200.0 978.6714 1200.0 979.6599 1500.0 980.6621 1000.0 996.6859 5400.0 997.6863 2600.0 END IONS BEGIN IONS SCANS=406 PEPMASS=1026.6148 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7500.0 87.0444 1500.0 89.0599 1900.0 104.0528 1400.0 115.0754 1500.0 117.0911 4000.0 175.1326 3200.0 201.1231 2000.0 217.1369 2800.0 227.1747 2000.0 229.1179 4300.0 245.1312 8900.0 245.1858 5200.0 324.2161 9200.0 328.1858 5600.0 342.2015 4300.0 342.2266 6000.0 343.2949 1900.0 344.1995 7100.0 360.1582 3100.0 360.2118 6000.0 413.2216 2900.0 437.2996 1900.0 441.2157 6000.0 441.2704 5200.0 443.2489 4600.0 444.2525 3400.0 455.2566 11000.0 455.3104 6400.0 459.2263 36000.0 459.2802 5200.0 473.2421 4300.0 473.2667 11000.0 526.3049 5200.0 540.4001 2800.0 543.2474 1200.0 544.315 5000.0 550.3301 5200.0 554.3002 6500.0 568.3404 14000.0 568.3936 9700.0 572.3104 18000.0 586.3506 25000.0 604.3361 4100.0 637.417 1400.0 648.4391 1100.0 649.3979 4000.0 667.4084 9600.0 683.4219 9700.0 685.3934 15000.0 685.4198 21000.0 687.4272 9400.0 688.431 18000.0 701.3785 1500.0 701.4433 1400.0 702.4455 3700.0 703.4047 160000.0 704.4075 19000.0 737.4683 4500.0 764.4257 1400.0 779.5338 1400.0 782.4351 6700.0 782.4887 3200.0 796.4531 2400.0 798.5038 10000.0 800.4459 6100.0 801.4493 1600.0 814.4614 4500.0 867.5246 5200.0 868.5111 1800.0 877.559 2100.0 894.5623 3400.0 895.5193 11000.0 895.5692 2700.0 909.5353 2300.0 912.572 3200.0 913.5304 20000.0 913.5754 2000.0 914.5332 3600.0 927.5457 8400.0 980.6237 5100.0 981.6345 3700.0 990.5923 1800.0 997.6605 2600.0 998.6191 14000.0 999.6214 3500.0 END IONS BEGIN IONS SCANS=407 PEPMASS=1032.6957 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3300.0 328.187 1200.0 366.2636 2400.0 395.2651 1900.0 423.2603 1400.0 441.2703 1700.0 461.3374 1300.0 479.3473 2700.0 497.359 1300.0 508.3493 1300.0 554.3536 2600.0 568.3702 1300.0 574.4205 5100.0 592.4316 3100.0 621.433 1300.0 667.4379 19000.0 668.4413 2300.0 673.4906 3700.0 679.4637 1500.0 691.4998 3100.0 707.4597 1500.0 788.5173 1600.0 804.5813 2500.0 820.5419 1200.0 901.6 1700.0 919.6105 2300.0 933.6281 2100.0 1004.6996 1900.0 END IONS BEGIN IONS SCANS=408 PEPMASS=1034.6757 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2500.0 86.0964 3200.0 87.0441 1400.0 89.0597 2700.0 91.5081 1300.0 115.0751 2500.0 117.0907 7900.0 133.0859 3600.0 157.122 1400.0 175.1328 3700.0 177.1118 1400.0 199.1802 1300.0 227.1752 4000.0 229.1181 2200.0 233.1747 2900.0 245.1855 2600.0 326.2432 2900.0 328.1859 3400.0 342.2018 2900.0 350.2321 4400.0 360.2128 3100.0 368.2429 3000.0 395.265 2800.0 423.2595 3900.0 437.2391 1000.0 441.27 21000.0 442.2736 1500.0 455.2858 2900.0 457.3372 1000.0 459.2812 4000.0 463.3159 7400.0 481.3265 9500.0 499.338 1100.0 508.3499 2600.0 526.3592 2600.0 536.3434 3200.0 554.3538 11000.0 558.3894 2000.0 572.3644 4600.0 576.3993 7500.0 586.3801 2300.0 594.4103 18000.0 639.4438 1000.0 657.4577 1800.0 667.4384 8200.0 675.4684 5000.0 685.4485 87000.0 686.4515 9700.0 693.4789 11000.0 707.4955 1500.0 709.4369 5600.0 763.4837 1700.0 790.4947 4100.0 804.5095 1800.0 806.5635 5200.0 808.5061 5000.0 822.5217 2400.0 823.5231 1000.0 857.5736 1000.0 875.5844 3600.0 876.5648 2400.0 885.5695 1300.0 893.595 1200.0 903.5785 6500.0 904.5831 1800.0 917.5938 1400.0 921.5894 14000.0 922.5931 2300.0 935.6066 4500.0 988.6682 1800.0 989.6533 1500.0 1006.6785 8900.0 END IONS BEGIN IONS SCANS=409 PEPMASS=1034.6743 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2500.0 86.0964 3200.0 87.0441 1400.0 89.0597 2700.0 91.5081 1300.0 115.0751 2500.0 117.0907 7900.0 133.0859 3600.0 157.122 1400.0 175.1328 3700.0 177.1118 1400.0 199.1802 1300.0 227.1752 4000.0 229.1181 2200.0 233.1747 2900.0 245.1855 2600.0 326.2432 2900.0 328.1859 3400.0 342.2018 2900.0 350.2321 4400.0 360.2128 3100.0 368.2429 3000.0 395.265 2800.0 423.2595 3900.0 437.2391 1000.0 441.27 21000.0 442.2736 1500.0 455.2858 2900.0 457.3372 1000.0 459.2812 4000.0 463.3159 7400.0 481.3265 9500.0 499.338 1100.0 508.3499 2600.0 526.3592 2600.0 536.3434 3200.0 554.3538 11000.0 558.3894 2000.0 572.3644 4600.0 576.3993 7500.0 586.3801 2300.0 594.4103 18000.0 639.4438 1000.0 657.4577 1800.0 667.4384 8200.0 675.4684 5000.0 685.4485 87000.0 686.4515 9700.0 693.4789 11000.0 707.4955 1500.0 709.4369 5600.0 763.4837 1700.0 790.4947 4100.0 804.5095 1800.0 806.5635 5200.0 808.5061 5000.0 822.5217 2400.0 823.5231 1000.0 857.5736 1000.0 875.5844 3600.0 876.5648 2400.0 885.5695 1300.0 893.595 1200.0 903.5785 6500.0 904.5831 1800.0 917.5938 1400.0 921.5894 14000.0 922.5931 2300.0 935.6066 4500.0 988.6682 1800.0 989.6533 1500.0 1006.6785 8900.0 END IONS BEGIN IONS SCANS=410 PEPMASS=1035.6196 CHARGE=2 COLLISION_ENERGY=0.0 175.1327 2600.0 199.1801 1200.0 227.1751 3700.0 233.1744 2000.0 245.1856 2300.0 324.2166 2800.0 326.2427 2100.0 328.1863 3100.0 342.2023 2100.0 342.2271 1500.0 360.2123 2700.0 395.2646 2600.0 423.2595 3000.0 437.3003 4600.0 441.2703 19000.0 442.2736 3100.0 455.2876 2300.0 455.311 6600.0 456.3148 1000.0 459.2805 3500.0 473.3217 1600.0 483.3412 1100.0 508.349 2400.0 526.3594 1600.0 531.793 1300.0 532.3745 2700.0 536.3438 4200.0 540.4003 1100.0 550.3849 6800.0 554.3543 11000.0 568.395 16000.0 569.3985 4600.0 572.3647 3900.0 586.3802 2000.0 626.2833 1000.0 639.4446 1000.0 649.453 7000.0 667.4381 12000.0 667.4642 13000.0 668.4673 3800.0 683.4234 5300.0 685.449 120000.0 686.4521 27000.0 702.3884 1300.0 720.3983 1200.0 737.4703 1400.0 739.3688 1200.0 764.4804 4300.0 765.4836 1300.0 778.4966 2000.0 780.5475 5300.0 782.4915 5600.0 796.5063 2200.0 800.3893 1200.0 808.5793 1200.0 818.3963 2600.0 832.3905 1300.0 836.4114 2200.0 849.5687 3900.0 877.5643 9000.0 878.5673 2400.0 891.5806 1800.0 892.4099 2000.0 895.5746 16000.0 896.5776 6100.0 909.5904 4200.0 910.592 1600.0 913.4734 1900.0 921.4996 1600.0 923.6072 1800.0 931.4846 2900.0 962.6528 1900.0 972.6407 2200.0 980.6647 7900.0 981.6668 3600.0 990.6485 29000.0 991.6529 9600.0 1008.6591 140000.0 1009.6627 65000.0 1060.5826 14000.0 1061.5815 43000.0 1062.5787 310000.0 1063.5818 130000.0 1064.5814 29000.0 END IONS BEGIN IONS SCANS=411 PEPMASS=1035.6198 CHARGE=2 COLLISION_ENERGY=0.0 175.1325 5300.0 177.1118 2000.0 227.1748 3200.0 229.1178 1300.0 233.1744 3700.0 245.1852 1600.0 291.2158 2100.0 324.2166 2300.0 326.2428 2100.0 328.1857 2800.0 342.2018 1700.0 342.2271 2200.0 360.2125 2200.0 395.265 1400.0 423.2592 2600.0 437.3005 4200.0 438.3037 1200.0 441.2702 16000.0 442.2734 2900.0 455.2867 3000.0 455.3109 6000.0 456.3139 1200.0 459.281 2900.0 508.3494 2300.0 526.3599 1900.0 532.3745 1500.0 536.3438 3000.0 550.3843 5900.0 554.3539 8000.0 555.3588 1900.0 568.3946 14000.0 569.3987 3900.0 572.3647 3900.0 631.4419 1400.0 649.4265 1000.0 649.453 4800.0 667.4377 8300.0 667.4639 7800.0 683.4222 4300.0 685.4489 89000.0 686.4521 26000.0 699.4646 4400.0 700.468 4700.0 701.4684 1100.0 702.3887 1400.0 737.4688 1400.0 739.3676 1200.0 746.4698 1200.0 764.4799 2800.0 778.4958 1500.0 780.5485 3700.0 782.4884 3500.0 783.4935 1800.0 796.5052 1700.0 808.5771 1100.0 810.5209 1200.0 818.3997 2400.0 836.4104 1500.0 849.5704 2300.0 850.5688 1400.0 877.5645 6500.0 878.566 3000.0 891.5781 1600.0 895.5745 11000.0 896.5776 5600.0 905.595 1600.0 909.5912 4000.0 910.593 1400.0 913.4717 1900.0 914.4756 1400.0 923.6048 1900.0 963.6366 1400.0 980.6644 5800.0 981.6678 2300.0 990.6481 21000.0 991.6517 12000.0 992.6553 1600.0 1008.6587 100000.0 1009.662 57000.0 1010.6644 14000.0 1060.5839 3700.0 1061.5815 23000.0 1062.5784 210000.0 1063.5813 130000.0 1064.5823 39000.0 1065.5823 5300.0 END IONS BEGIN IONS SCANS=412 PEPMASS=1036.1235 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 1400.0 81.7565 1100.0 86.0965 16000.0 87.0442 1000.0 102.0549 1100.0 115.0751 1100.0 117.0908 3000.0 129.6085 1000.0 140.6503 1100.0 150.1607 1100.0 175.1324 3500.0 177.1113 2200.0 183.1123 1300.0 199.1806 4500.0 201.123 1800.0 213.159 1600.0 227.1752 17000.0 229.1182 9400.0 243.1336 1500.0 245.1857 13000.0 283.2013 1100.0 296.1969 1100.0 324.2161 4300.0 326.2433 10000.0 328.1859 15000.0 342.2018 10000.0 342.2271 2900.0 344.2532 1900.0 352.2473 15000.0 360.2117 9800.0 370.258 5800.0 371.3257 4800.0 395.2646 7600.0 396.2495 1700.0 413.2754 4400.0 423.2589 11000.0 437.2746 3400.0 437.2998 4200.0 441.2697 76000.0 442.2731 4100.0 455.2858 15000.0 455.3097 7400.0 457.3375 4100.0 459.2795 11000.0 465.3318 19000.0 483.3421 30000.0 507.2808 3600.0 508.3481 9900.0 509.3326 3000.0 525.2914 6600.0 526.3584 13000.0 536.3427 10000.0 554.3536 55000.0 560.4045 8600.0 568.3945 11000.0 572.3649 15000.0 578.415 25000.0 596.4255 51000.0 610.3777 1200.0 638.375 4600.0 639.4432 3800.0 640.4252 1400.0 649.4258 2200.0 649.4512 2600.0 659.472 6100.0 667.4373 30000.0 677.4839 16000.0 685.4481 380000.0 686.452 15000.0 695.4938 32000.0 701.4869 1300.0 709.5089 12000.0 711.4526 24000.0 726.1876 1200.0 733.4478 1400.0 737.5018 1300.0 764.4786 4100.0 765.4984 4800.0 774.4989 3200.0 778.5282 5000.0 790.568 6400.0 792.5101 15000.0 806.525 9300.0 808.5776 33000.0 810.5207 17000.0 822.5936 4900.0 824.5372 15000.0 849.5642 1800.0 859.5891 5200.0 877.6002 19000.0 878.5853 5600.0 887.5842 7400.0 895.5734 7200.0 896.5745 3900.0 905.5945 37000.0 909.6259 2400.0 919.6104 6200.0 921.6605 7200.0 923.6044 55000.0 937.62 25000.0 972.6356 1600.0 980.6633 4000.0 981.6689 2100.0 990.6406 11000.0 990.6865 4300.0 991.6601 11000.0 1008.6555 26000.0 1008.6951 40000.0 1009.6613 23000.0 1060.5823 2000.0 1061.5801 12000.0 1062.5771 88000.0 1063.5801 52000.0 1064.5791 26000.0 1065.5813 3700.0 END IONS BEGIN IONS SCANS=413 PEPMASS=1036.6537 CHARGE=1 COLLISION_ENERGY=0.0 227.1753 1600.0 326.2437 1300.0 328.1873 1100.0 352.211 3400.0 360.2129 1500.0 370.2228 1400.0 441.2701 7600.0 447.2844 1500.0 459.2807 1600.0 465.2959 3300.0 483.3058 6300.0 501.3189 1000.0 508.3477 1300.0 536.3432 1900.0 554.3543 4500.0 560.3688 1200.0 572.3651 1500.0 578.3784 3500.0 586.3798 1300.0 596.3899 8600.0 659.439 1400.0 667.4379 4200.0 677.4485 2500.0 685.4484 51000.0 686.4515 7700.0 695.4581 6300.0 711.4161 2800.0 792.4734 2700.0 808.5409 2400.0 810.4846 2100.0 824.5006 1400.0 877.5625 1100.0 905.5597 3600.0 906.5598 1200.0 923.5684 6200.0 937.5857 2400.0 991.6323 1300.0 1008.6567 4500.0 END IONS BEGIN IONS SCANS=414 PEPMASS=1036.6533 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1400.0 86.0968 66000.0 87.044 1500.0 89.0598 1400.0 102.0552 1100.0 112.3542 1100.0 115.0752 1000.0 117.0907 3800.0 132.1014 3500.0 157.1253 1200.0 175.1324 2400.0 185.1646 1100.0 199.18 8400.0 201.1234 9100.0 213.1595 5100.0 227.175 30000.0 229.1179 22000.0 231.1703 2800.0 245.1856 43000.0 281.2217 3400.0 283.1649 3100.0 295.2378 1100.0 296.1965 2300.0 297.1797 1200.0 326.2429 18000.0 328.186 42000.0 329.1899 2000.0 334.2002 13000.0 340.2593 2300.0 342.2017 23000.0 352.2109 18000.0 358.2693 3200.0 360.2119 38000.0 370.2217 14000.0 395.2645 12000.0 396.2493 3900.0 414.2592 7200.0 423.2591 17000.0 437.3004 15000.0 441.27 150000.0 442.2736 9400.0 447.2853 8600.0 455.2855 19000.0 459.2805 53000.0 465.2951 170000.0 466.2984 13000.0 473.2953 5300.0 483.3055 49000.0 501.3165 3100.0 508.3481 18000.0 509.3336 5800.0 526.3586 13000.0 527.3425 3800.0 536.3431 19000.0 550.3837 32000.0 554.3537 66000.0 572.3644 47000.0 578.3788 290000.0 579.3824 32000.0 596.3893 86000.0 613.416 1900.0 621.4321 2000.0 622.4149 2100.0 639.4419 4600.0 640.4254 2700.0 649.4263 3000.0 667.4376 54000.0 677.4472 170000.0 678.4504 23000.0 685.4481 630000.0 686.4512 75000.0 695.4576 61000.0 709.4731 7500.0 711.4153 15000.0 712.4197 1300.0 719.4578 1800.0 726.5015 1800.0 765.463 6900.0 774.4612 4300.0 778.4952 4700.0 790.5309 3600.0 792.4739 40000.0 793.4788 5700.0 806.4901 8900.0 808.541 14000.0 809.5449 2400.0 810.4852 19000.0 811.4887 2700.0 824.4997 12000.0 860.5347 2200.0 876.6036 3500.0 877.564 14000.0 878.5428 9700.0 887.5466 4000.0 895.5734 2800.0 905.558 42000.0 906.5597 6600.0 919.5745 7100.0 923.5685 48000.0 924.5713 6300.0 937.5842 23000.0 973.6224 2000.0 990.6472 8300.0 991.6306 10000.0 992.6349 2000.0 993.4298 1100.0 1008.6573 47000.0 1009.6612 10000.0 END IONS BEGIN IONS SCANS=415 PEPMASS=1036.6903 CHARGE=1 COLLISION_ENERGY=0.0 73.9558 1200.0 84.0445 1800.0 86.0965 19000.0 87.9077 1200.0 89.0599 1600.0 98.0173 1200.0 102.0549 1600.0 117.0907 2400.0 117.3326 1400.0 130.0494 1800.0 132.1013 1700.0 148.1336 1500.0 161.9414 1400.0 175.1327 1600.0 177.1112 1400.0 183.1118 1500.0 199.1798 5000.0 199.8049 1800.0 201.1229 3500.0 213.1598 1600.0 227.1753 23000.0 229.1181 13000.0 243.1324 1700.0 245.1857 19000.0 277.7496 1100.0 281.2224 1400.0 283.2005 2300.0 293.1855 1300.0 296.2216 1200.0 311.1958 2200.0 324.2166 2000.0 326.243 14000.0 328.1859 20000.0 342.2017 12000.0 344.2539 2400.0 352.2474 22000.0 360.212 19000.0 370.2587 7700.0 371.3255 6100.0 395.265 11000.0 396.2486 3600.0 423.2592 15000.0 437.2744 3600.0 437.3 4200.0 441.2699 99000.0 442.2737 8800.0 447.321 3600.0 455.2858 22000.0 455.3094 6400.0 457.3377 5800.0 459.2802 15000.0 465.3316 28000.0 483.3418 43000.0 507.2807 3400.0 508.3478 8500.0 509.3318 3700.0 525.2904 4600.0 526.3585 19000.0 536.3433 11000.0 554.3535 75000.0 560.4048 12000.0 572.3642 24000.0 578.4154 30000.0 586.3801 11000.0 596.4254 68000.0 610.3793 1800.0 632.4427 1700.0 638.3751 4600.0 639.4427 3400.0 640.425 1700.0 649.4266 3300.0 667.4379 33000.0 677.4832 19000.0 685.4483 450000.0 686.4514 66000.0 693.4417 11000.0 695.4937 45000.0 709.5094 16000.0 711.4527 29000.0 712.4562 5900.0 719.4938 2000.0 726.5365 1700.0 737.4684 1800.0 764.5171 3400.0 774.4991 6100.0 778.5319 5200.0 780.5823 4200.0 790.5665 11000.0 792.5103 16000.0 806.5253 13000.0 808.5781 44000.0 809.582 5300.0 810.5208 19000.0 822.5922 6000.0 824.5367 20000.0 859.5883 6000.0 877.6001 22000.0 878.5828 5200.0 878.5961 4500.0 887.5831 8300.0 895.574 6000.0 905.5946 41000.0 906.598 7800.0 919.6115 8200.0 923.6046 64000.0 924.6063 13000.0 937.6202 24000.0 980.6641 4700.0 981.6674 2900.0 990.6463 5000.0 990.6918 5900.0 991.653 9300.0 992.6624 1900.0 1008.6949 43000.0 1009.6551 19000.0 1061.5792 3400.0 1062.5776 59000.0 1063.5803 51000.0 1064.58 35000.0 1065.5813 9900.0 1066.5809 2100.0 END IONS BEGIN IONS SCANS=416 PEPMASS=1036.6927 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 87.0444 2500.0 89.0601 3700.0 99.0807 1800.0 115.0755 3300.0 117.0911 10000.0 133.086 3100.0 157.1222 1300.0 173.1171 1000.0 175.1327 5400.0 177.1122 2300.0 199.1805 1500.0 227.1751 6600.0 229.1182 2300.0 233.1745 4200.0 245.1857 1800.0 291.2157 1700.0 326.243 4600.0 328.1855 4000.0 342.202 1300.0 352.2478 11000.0 360.2122 2700.0 395.2642 1300.0 423.2594 1400.0 441.2332 1200.0 441.27 30000.0 442.273 3400.0 455.2849 2000.0 459.2805 5600.0 465.2961 1100.0 465.3315 25000.0 466.3349 2000.0 508.3482 1200.0 526.3581 2300.0 536.3422 1600.0 554.3536 8600.0 560.405 2800.0 572.3646 5400.0 578.4155 31000.0 579.4185 2900.0 595.4141 1200.0 667.4379 4600.0 677.4837 10000.0 685.4135 5500.0 685.4481 63000.0 686.4509 15000.0 687.4537 2400.0 922.5918 1200.0 1007.6793 1000.0 END IONS BEGIN IONS SCANS=417 PEPMASS=1036.6918 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 3900.0 77.9255 4500.0 81.6482 4200.0 86.0965 96000.0 86.6137 4900.0 99.5478 4500.0 104.4086 4900.0 108.5609 3400.0 110.3052 3700.0 130.0495 3800.0 132.1018 4500.0 139.9698 3700.0 174.9524 3600.0 179.1586 4000.0 181.7658 4200.0 183.1121 4100.0 193.4758 4100.0 199.1805 31000.0 201.123 15000.0 208.5017 7500.0 227.1752 98000.0 229.118 39000.0 243.1334 8100.0 245.1856 56000.0 252.3907 5000.0 281.222 9500.0 283.1645 5600.0 296.1964 8200.0 297.1807 4700.0 298.2489 5500.0 311.196 6000.0 326.2433 65000.0 328.186 84000.0 340.2585 7100.0 342.2016 64000.0 344.2545 9000.0 352.2474 82000.0 360.2122 66000.0 370.258 79000.0 371.3259 12000.0 395.265 51000.0 396.2491 19000.0 413.2746 27000.0 423.2597 60000.0 437.2744 15000.0 441.2701 480000.0 442.2733 32000.0 447.3205 18000.0 455.2856 48000.0 459.2803 79000.0 465.3315 120000.0 483.3421 240000.0 484.3459 26000.0 485.2846 19000.0 501.353 25000.0 508.3486 57000.0 509.3334 21000.0 525.2919 13000.0 526.3589 53000.0 536.343 80000.0 554.3535 210000.0 560.4051 57000.0 572.3641 96000.0 578.4151 170000.0 596.4259 470000.0 597.4296 58000.0 613.453 5700.0 621.4323 16000.0 638.3748 7300.0 639.4426 38000.0 640.4243 6900.0 649.4269 22000.0 667.4377 220000.0 677.4838 120000.0 685.4482 2000000.0 686.4512 250000.0 693.442 51000.0 695.4944 320000.0 709.5094 39000.0 710.5115 8400.0 711.4525 120000.0 712.4555 13000.0 726.5357 7300.0 746.5054 7500.0 764.515 17000.0 765.4991 41000.0 774.5001 20000.0 790.5662 29000.0 792.5099 89000.0 793.5137 17000.0 806.5254 39000.0 808.5779 100000.0 809.5803 15000.0 810.5208 120000.0 811.5243 17000.0 824.5355 52000.0 859.588 14000.0 876.6436 5300.0 877.6005 75000.0 878.585 39000.0 887.5836 22000.0 895.6122 11000.0 905.5948 120000.0 906.5973 26000.0 919.6097 37000.0 923.6049 290000.0 924.6082 72000.0 937.6207 96000.0 972.6729 5900.0 973.6512 6400.0 990.6815 39000.0 991.6683 41000.0 1008.6944 180000.0 1009.6966 40000.0 END IONS BEGIN IONS SCANS=418 PEPMASS=1038.67 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 199.18 1300.0 227.1753 5900.0 229.118 2900.0 245.1855 3200.0 326.243 4300.0 328.186 4800.0 336.216 5200.0 342.2016 2400.0 354.2268 3300.0 360.212 4800.0 395.2653 2800.0 413.2748 1100.0 423.2598 3800.0 437.2759 1100.0 441.2702 33000.0 442.2727 1800.0 449.3004 7600.0 455.2855 3100.0 459.2807 6300.0 467.311 12000.0 485.3216 4100.0 507.2815 1100.0 508.3492 5300.0 526.3588 4800.0 534.3904 1400.0 536.3439 7700.0 544.3741 4300.0 554.3542 19000.0 562.3843 14000.0 572.3646 8400.0 580.3948 34000.0 581.3987 3700.0 586.3801 3000.0 621.4329 1300.0 639.4442 2400.0 643.4417 4000.0 649.4279 2600.0 661.4525 13000.0 667.4382 21000.0 679.463 29000.0 685.4485 240000.0 686.4516 29000.0 695.4215 12000.0 748.4833 1200.0 749.4677 3000.0 758.4705 2600.0 774.5375 1700.0 776.4792 11000.0 790.4953 3100.0 792.5469 8800.0 794.4899 11000.0 806.5638 1300.0 808.505 5000.0 809.5079 1100.0 843.5594 2200.0 861.5682 10000.0 862.5489 2800.0 871.5519 3500.0 879.5793 1600.0 889.5634 18000.0 890.5668 3700.0 903.5774 1700.0 905.6301 1100.0 907.5737 36000.0 908.5776 6400.0 921.5891 8600.0 922.5914 2200.0 974.6528 3100.0 975.6378 3800.0 984.6395 2300.0 992.6631 20000.0 993.6666 4100.0 1002.6475 50000.0 1003.6501 10000.0 END IONS BEGIN IONS SCANS=419 PEPMASS=1038.6674 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 9900.0 89.0601 1700.0 115.0755 1200.0 117.0911 5300.0 175.1329 2200.0 199.1806 2200.0 201.1234 1400.0 226.2162 1100.0 227.175 6300.0 229.1181 4400.0 245.1858 4700.0 328.1861 1700.0 328.2227 2000.0 330.1653 4100.0 338.2316 1400.0 342.2014 5700.0 352.2479 4100.0 355.1856 12000.0 357.3103 12000.0 360.2126 3400.0 369.201 2900.0 370.2591 2900.0 425.2385 5400.0 439.2545 2600.0 441.2701 3400.0 443.2493 23000.0 454.254 19000.0 461.2594 5400.0 465.3318 5100.0 468.2701 2600.0 470.3945 6000.0 483.3422 8000.0 501.3519 2300.0 510.3289 1800.0 528.3383 2900.0 538.3224 5300.0 556.3331 10000.0 569.28 7400.0 574.3441 5300.0 578.4148 3700.0 585.4211 11000.0 596.4259 12000.0 643.402 1200.0 669.417 14000.0 679.4623 6600.0 683.433 12000.0 685.4484 11000.0 687.4275 100000.0 688.4305 10000.0 700.4664 2500.0 701.4429 14000.0 709.509 1700.0 711.4533 4700.0 776.4783 3900.0 777.4822 1100.0 792.5474 2800.0 794.4899 5700.0 810.5552 2100.0 812.4995 6600.0 813.5009 1100.0 861.5665 1700.0 879.5791 1300.0 889.5621 4900.0 895.5706 1400.0 907.5726 9500.0 908.5771 2400.0 921.5871 1400.0 924.6101 1100.0 925.5829 13000.0 926.5854 2900.0 974.6506 2400.0 976.6323 1200.0 990.6473 1600.0 992.6599 3300.0 993.6483 2000.0 994.6409 4900.0 1008.6579 11000.0 1010.6726 9500.0 1065.5823 1600.0 1066.5756 3300.0 1067.5791 2200.0 END IONS BEGIN IONS SCANS=420 PEPMASS=1038.6672 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 87.0445 1000.0 89.0601 1800.0 91.506 1100.0 115.0756 1600.0 117.0912 5300.0 133.0859 2000.0 175.1328 2600.0 199.18 1000.0 227.1754 3300.0 229.1181 2200.0 233.1748 1400.0 245.1857 1800.0 326.2433 1200.0 328.1858 2700.0 342.202 3200.0 354.2278 1400.0 355.186 4700.0 357.3107 4600.0 360.2128 2100.0 423.2598 1300.0 437.301 1000.0 441.2701 9800.0 442.2741 1800.0 449.3011 1200.0 454.2539 4900.0 455.2856 2800.0 455.3109 2000.0 459.2808 1800.0 467.3115 2300.0 485.3221 2100.0 508.3495 1500.0 536.3435 1000.0 554.3546 4300.0 568.395 4100.0 569.2816 2800.0 572.3648 2700.0 585.422 3700.0 598.4062 2600.0 649.4521 2100.0 653.423 2300.0 667.4637 4000.0 671.4327 23000.0 685.4484 16000.0 686.4523 7000.0 699.4639 9200.0 700.4679 1400.0 701.4432 6000.0 764.48 1100.0 766.5311 1100.0 782.4929 2100.0 792.5472 1100.0 794.489 1400.0 877.5626 1400.0 881.5573 1400.0 895.5731 5100.0 907.5742 2400.0 909.591 2200.0 921.5856 1000.0 925.582 2000.0 939.5992 1000.0 966.6494 2500.0 976.6315 6400.0 994.6425 35000.0 1008.6582 5000.0 END IONS BEGIN IONS SCANS=421 PEPMASS=1038.6675 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 87.0445 1000.0 89.0601 1800.0 91.506 1100.0 115.0756 1600.0 117.0912 5300.0 133.0859 2000.0 175.1328 2600.0 199.18 1000.0 227.1754 3300.0 229.1181 2200.0 233.1748 1400.0 245.1857 1800.0 326.2433 1200.0 328.1858 2700.0 342.202 3200.0 354.2278 1400.0 355.186 4700.0 357.3107 4600.0 360.2128 2100.0 423.2598 1300.0 437.301 1000.0 441.2701 9800.0 442.2741 1800.0 449.3011 1200.0 454.2539 4900.0 455.2856 2800.0 455.3109 2000.0 459.2808 1800.0 467.3115 2300.0 485.3221 2100.0 508.3495 1500.0 536.3435 1000.0 554.3546 4300.0 568.395 4100.0 569.2816 2800.0 572.3648 2700.0 585.422 3700.0 598.4062 2600.0 649.4521 2100.0 653.423 2300.0 667.4637 4000.0 671.4327 23000.0 685.4484 16000.0 686.4523 7000.0 699.4639 9200.0 700.4679 1400.0 701.4432 6000.0 764.48 1100.0 766.5311 1100.0 782.4929 2100.0 792.5472 1100.0 794.489 1400.0 877.5626 1400.0 881.5573 1400.0 895.5731 5100.0 907.5742 2400.0 909.591 2200.0 921.5856 1000.0 925.582 2000.0 939.5992 1000.0 966.6494 2500.0 976.6315 6400.0 994.6425 35000.0 1008.6582 5000.0 END IONS BEGIN IONS SCANS=422 PEPMASS=1039.7017 CHARGE=1 COLLISION_ENERGY=0.0 84.0811 1700.0 85.0763 1200.0 86.0965 7000.0 115.0752 1000.0 117.0909 3100.0 133.0856 1700.0 175.1324 2000.0 180.998 1000.0 201.1233 2000.0 225.1593 2300.0 227.1749 4800.0 229.118 4600.0 243.1699 2800.0 245.1854 5100.0 253.007 1000.0 294.902 1000.0 326.243 3000.0 328.1857 8100.0 328.2111 2200.0 338.2316 4700.0 342.2014 3800.0 342.2381 3400.0 354.2271 6300.0 355.2308 1100.0 356.2423 3200.0 357.3099 1400.0 360.2121 7000.0 395.264 2900.0 423.2597 3500.0 423.2841 6000.0 439.2543 5700.0 441.2702 27000.0 441.2946 7100.0 442.2733 3800.0 451.3163 2100.0 455.2856 2800.0 457.2645 4100.0 459.2805 8900.0 459.3062 3300.0 469.3262 4000.0 508.349 3800.0 518.3601 1800.0 526.3593 2400.0 536.3436 5700.0 536.3687 7600.0 538.3466 1200.0 552.3376 4700.0 554.3543 12000.0 554.3794 20000.0 572.3651 6600.0 580.3957 4800.0 582.4106 4600.0 600.773 1100.0 617.425 2400.0 635.4377 9800.0 637.3792 1300.0 639.4424 2100.0 649.4263 1600.0 653.4472 21000.0 667.4374 13000.0 683.4335 20000.0 684.4362 12000.0 685.4485 160000.0 686.4516 29000.0 701.4431 23000.0 702.4467 17000.0 711.4893 2800.0 722.4267 1100.0 723.4528 2100.0 732.4564 1600.0 750.4629 6800.0 764.4794 1900.0 766.5313 7100.0 768.4742 9200.0 777.4835 2300.0 782.4898 2200.0 810.5198 3200.0 810.5594 2800.0 811.5233 2300.0 811.5602 2800.0 835.5532 6700.0 845.5356 2800.0 863.5477 13000.0 881.5587 23000.0 882.5613 4400.0 889.5625 2700.0 890.5676 3100.0 895.5722 6500.0 907.5759 6100.0 908.5776 5400.0 921.589 3400.0 925.5828 2900.0 926.5856 2600.0 949.6208 3200.0 966.6467 15000.0 976.6316 39000.0 977.6353 7900.0 993.666 3700.0 994.6422 190000.0 995.6462 38000.0 1003.6525 8000.0 END IONS BEGIN IONS SCANS=423 PEPMASS=1039.7039 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 6100.0 87.0443 1900.0 89.06 2200.0 115.0754 2500.0 117.0911 7400.0 131.0883 1100.0 133.0859 3100.0 168.1063 1700.0 175.1329 4300.0 177.1118 1500.0 199.1802 1300.0 226.2158 1300.0 227.175 4800.0 229.1179 4000.0 233.1745 2700.0 245.1851 2000.0 324.2163 2100.0 326.2431 2400.0 328.186 4800.0 342.202 3600.0 342.2267 1200.0 346.1967 1900.0 354.2269 2000.0 355.1855 11000.0 356.1895 1900.0 357.3102 9500.0 358.3139 2500.0 395.265 2500.0 423.2597 3100.0 437.3006 3400.0 441.2699 18000.0 442.2726 2200.0 445.2646 1800.0 449.3 1900.0 454.2538 13000.0 455.2581 4500.0 455.2852 2300.0 455.3108 4700.0 467.3114 2900.0 470.3946 4200.0 508.3489 2200.0 526.3584 1400.0 532.3743 1500.0 536.3433 3900.0 540.3395 2200.0 550.3838 6300.0 554.3538 8800.0 554.3791 4500.0 568.3948 14000.0 569.2809 5000.0 585.4214 6700.0 631.4416 1700.0 635.4106 1000.0 649.4521 4700.0 653.4219 8200.0 667.4631 15000.0 671.4326 72000.0 672.436 10000.0 685.4481 26000.0 686.4515 6600.0 703.404 1100.0 764.4796 3800.0 766.5312 2200.0 780.548 1300.0 782.4889 5400.0 796.505 2000.0 835.5507 2300.0 863.5472 4000.0 864.5519 1400.0 877.563 4100.0 881.5591 2900.0 895.573 13000.0 896.577 2800.0 908.5768 1700.0 909.59 2400.0 925.5825 1300.0 926.5851 1100.0 948.6376 1100.0 966.6479 6500.0 976.6315 17000.0 977.6345 5000.0 990.6454 2900.0 994.642 92000.0 995.6447 23000.0 1008.6575 21000.0 END IONS BEGIN IONS SCANS=424 PEPMASS=1039.7102 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4500.0 87.0446 1700.0 89.0601 3800.0 99.0808 1000.0 101.0965 1100.0 112.0873 1500.0 115.0755 3500.0 117.0911 8500.0 133.0858 3500.0 168.1068 1500.0 175.1328 4300.0 177.112 2200.0 199.1807 1200.0 201.1236 1200.0 227.1749 3500.0 229.1179 2500.0 233.1744 2500.0 245.1319 1900.0 245.1859 2500.0 291.2158 1100.0 324.2172 1600.0 326.2439 1400.0 328.1862 3400.0 338.2323 1900.0 342.2019 2400.0 344.2002 1900.0 352.2478 1300.0 356.2433 1300.0 360.2122 3400.0 409.2807 1100.0 437.2755 1700.0 437.2992 3400.0 441.2163 1400.0 441.2701 9000.0 442.2735 3100.0 455.2859 8700.0 455.3102 4500.0 459.2264 8600.0 459.2805 2400.0 469.326 2900.0 487.2823 2700.0 522.3646 1000.0 526.3058 1300.0 526.3591 1100.0 532.3753 1700.0 536.3439 1900.0 540.3743 1200.0 550.3849 5500.0 554.3547 4400.0 568.3707 3800.0 568.3957 11000.0 572.31 4100.0 586.3809 3500.0 600.3673 6000.0 643.4014 7500.0 644.404 1100.0 649.4536 2600.0 667.4636 5400.0 671.433 30000.0 681.4799 6100.0 685.4481 9800.0 686.4513 6300.0 699.464 41000.0 700.4671 6300.0 701.4432 6700.0 702.4457 3600.0 703.405 37000.0 748.521 1100.0 751.4852 1800.0 764.4793 1800.0 778.496 2700.0 782.49 1600.0 794.5608 2800.0 796.5057 4400.0 812.52 2200.0 814.4631 1300.0 828.4743 1000.0 835.5531 1500.0 863.5482 2300.0 863.5863 1600.0 877.5647 2200.0 881.5565 1900.0 891.5805 4300.0 895.575 5200.0 909.5353 2300.0 909.5906 11000.0 910.5934 1200.0 925.5869 1600.0 927.5463 4500.0 941.561 1300.0 966.649 4000.0 976.6313 8000.0 977.6385 1900.0 994.6419 50000.0 995.6461 9200.0 1004.6632 9400.0 END IONS BEGIN IONS SCANS=425 PEPMASS=1040.6313 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6100.0 87.0443 2100.0 89.06 3200.0 91.5061 1700.0 99.0807 1500.0 104.0531 1400.0 115.0756 2200.0 117.0912 7700.0 131.0884 1100.0 133.0859 4200.0 175.1328 4800.0 177.1124 1100.0 199.1805 1600.0 201.1232 1100.0 227.1752 5500.0 229.1185 2200.0 233.1746 3300.0 245.1315 1600.0 245.1857 1700.0 263.1422 2600.0 326.2428 3200.0 328.1864 4300.0 329.1904 1000.0 338.2321 5900.0 342.2017 2000.0 346.1425 1500.0 356.2422 3400.0 360.1586 1600.0 360.2119 2100.0 378.1688 3500.0 395.2654 2700.0 423.2593 3600.0 423.2845 1000.0 427.2547 3100.0 439.2546 2700.0 441.2701 19000.0 442.2728 2900.0 451.3162 8300.0 459.2263 6700.0 459.2807 2400.0 469.3268 10000.0 473.2424 2600.0 477.2375 2600.0 526.3052 2000.0 536.3449 1100.0 536.3686 1300.0 544.3161 1100.0 546.3899 2100.0 554.3539 4200.0 554.3792 3300.0 564.4009 6000.0 572.3104 8100.0 582.4105 13000.0 590.321 5000.0 600.3667 6900.0 604.3365 2700.0 635.4368 1500.0 645.4587 2000.0 671.4329 19000.0 672.4355 9300.0 681.4786 8400.0 684.437 8900.0 685.3945 10000.0 685.4487 7000.0 701.4436 2500.0 702.4465 6600.0 703.405 97000.0 704.4078 12000.0 713.4512 2300.0 715.3938 4600.0 769.4402 1300.0 778.4958 2400.0 794.5611 2100.0 796.4517 1600.0 796.5053 4300.0 797.5092 1300.0 810.4672 1400.0 812.5198 2700.0 814.4636 2400.0 828.4789 3200.0 863.5845 1700.0 881.5409 1800.0 882.5238 1500.0 882.5601 1800.0 891.5773 3300.0 896.5766 1700.0 908.5748 2100.0 909.5351 4400.0 909.5857 3700.0 927.5454 9500.0 928.5489 1800.0 941.5618 5000.0 964.6323 1700.0 976.6332 4700.0 977.6351 4700.0 994.6423 25000.0 995.6463 28000.0 996.6489 3300.0 1012.6351 9700.0 END IONS BEGIN IONS SCANS=426 PEPMASS=1040.6304 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 5600.0 87.0442 2500.0 89.0601 5900.0 99.0806 2000.0 101.0962 1800.0 104.0532 1300.0 115.0755 4600.0 117.0911 11000.0 124.0805 1300.0 133.0856 4500.0 153.1012 1300.0 175.1145 1500.0 175.1327 8000.0 177.1119 2000.0 201.1233 1500.0 227.1755 2800.0 229.1181 3700.0 233.1747 3200.0 245.1313 3400.0 245.1859 4000.0 291.2159 1600.0 324.2163 1000.0 326.2433 1100.0 328.1859 4500.0 338.2316 4900.0 342.2018 2600.0 344.199 3200.0 356.2426 3700.0 357.311 1100.0 360.2124 5500.0 395.2649 1000.0 413.239 1600.0 441.216 2400.0 441.2698 9400.0 441.2954 1500.0 442.2733 2500.0 443.2498 1500.0 459.2262 15000.0 459.2808 4400.0 469.272 3700.0 469.3259 3500.0 473.2421 2400.0 487.2827 4000.0 508.3492 1300.0 526.3044 1900.0 526.3234 1100.0 536.3439 2200.0 536.3685 1300.0 544.3157 1600.0 554.3539 5100.0 554.3796 4800.0 568.3942 3000.0 572.3101 7300.0 582.3553 4600.0 582.41 6300.0 600.367 9300.0 604.3357 1800.0 635.437 1800.0 636.4401 1500.0 649.4521 1200.0 657.4177 9900.0 685.3973 5800.0 685.4483 38000.0 686.4513 21000.0 688.4305 7500.0 699.4349 10000.0 700.4377 1100.0 701.4434 1200.0 702.4466 2100.0 703.4047 63000.0 704.4077 9100.0 713.4518 1500.0 750.4647 2200.0 764.4786 1100.0 766.5336 1600.0 768.4735 1900.0 796.4501 2700.0 796.5049 1600.0 812.5212 4100.0 814.4635 2500.0 828.4774 1600.0 835.553 1500.0 836.5541 1500.0 863.5496 3000.0 864.5517 2600.0 881.5599 5400.0 882.5612 4600.0 895.5751 2800.0 896.5774 2100.0 908.5767 1700.0 909.5348 4300.0 909.5847 1700.0 926.588 2000.0 927.5465 8300.0 941.5626 3300.0 966.6464 3100.0 976.6318 7400.0 977.6351 6300.0 994.642 34000.0 995.6456 38000.0 996.647 3800.0 1008.658 10000.0 1009.6603 11000.0 END IONS BEGIN IONS SCANS=427 PEPMASS=1040.6309 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7300.0 87.0443 2700.0 89.0601 4500.0 99.0807 1400.0 112.0871 1200.0 115.0753 3200.0 117.0911 12000.0 124.0804 1100.0 133.0858 4000.0 137.1065 1200.0 153.1014 1100.0 168.1067 1600.0 173.1167 1200.0 175.1326 6800.0 177.1122 2900.0 199.1805 1300.0 201.1233 1900.0 227.175 3900.0 229.1182 5200.0 233.1746 4300.0 245.1315 5300.0 245.1857 3400.0 291.2165 1600.0 324.2171 1600.0 326.2431 1600.0 328.1861 6200.0 338.2316 6400.0 342.2016 3500.0 344.199 5200.0 356.2423 3400.0 357.3104 1100.0 360.2122 5000.0 413.2205 2500.0 423.26 1400.0 437.2993 3100.0 441.2152 2600.0 441.2698 13000.0 442.273 2700.0 455.2855 6900.0 455.3097 4800.0 459.2263 21000.0 469.2729 6300.0 469.3267 3800.0 487.2834 5300.0 508.3486 2000.0 526.3054 2600.0 532.3738 2100.0 536.3449 1700.0 544.3145 2200.0 554.3542 4600.0 568.3947 10000.0 569.3979 4700.0 572.3102 9300.0 582.3563 6900.0 582.4095 4900.0 600.3668 13000.0 604.3358 2400.0 637.4157 1200.0 643.4011 2500.0 644.4053 1300.0 649.4525 2500.0 667.4631 7000.0 671.4326 36000.0 672.436 22000.0 685.3943 8500.0 699.4344 11000.0 699.4643 25000.0 700.4669 16000.0 701.4418 1400.0 702.4476 2200.0 703.4047 82000.0 704.4077 9800.0 713.4506 1900.0 766.5315 1800.0 782.4886 2100.0 783.4918 1700.0 794.5613 1800.0 796.4518 3500.0 796.5059 3400.0 810.4675 1400.0 812.5185 5200.0 814.4627 4100.0 828.4782 2200.0 835.5538 1500.0 863.5486 2400.0 864.552 1900.0 881.5443 2000.0 891.5766 2600.0 895.5735 5200.0 896.5762 4500.0 909.5403 4900.0 909.5848 5200.0 910.5933 4100.0 927.5455 12000.0 928.549 1700.0 941.5618 4300.0 967.6508 3500.0 976.6296 6800.0 977.6334 9200.0 994.6412 37000.0 995.6448 47000.0 996.649 6200.0 1012.6354 9300.0 END IONS BEGIN IONS SCANS=428 PEPMASS=1040.6323 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1000.0 86.0967 2100.0 87.0444 3000.0 89.06 4400.0 99.0809 2400.0 101.0963 1300.0 112.0873 1600.0 115.0755 3900.0 116.0835 1300.0 117.0912 12000.0 133.0858 3500.0 157.1225 1800.0 168.1065 1200.0 175.1327 8400.0 177.1121 2300.0 227.1755 3900.0 229.1185 1600.0 233.1743 4600.0 249.127 1000.0 291.2162 1900.0 326.2443 1500.0 328.1864 2200.0 342.2022 1500.0 352.2473 2600.0 364.154 1700.0 370.2596 1400.0 395.2653 1600.0 423.259 2300.0 441.2704 9700.0 442.2741 1900.0 445.2109 2600.0 455.2867 1800.0 459.2263 1100.0 463.2223 1100.0 465.3309 4200.0 483.3418 3300.0 487.284 1700.0 508.3487 1800.0 526.3586 1000.0 554.3537 4000.0 558.2935 2000.0 560.4054 1600.0 578.4158 2100.0 590.3214 1800.0 596.4265 4300.0 600.3666 3800.0 671.3798 3100.0 671.4327 3200.0 686.452 2600.0 689.389 42000.0 690.3928 5500.0 695.4951 3600.0 703.4052 2300.0 713.4509 1500.0 715.392 2600.0 792.5106 1000.0 794.5092 1400.0 796.452 1400.0 812.5203 4400.0 828.4774 1700.0 881.5405 2300.0 882.5272 1500.0 909.5372 4800.0 923.5544 1000.0 923.604 1600.0 927.5468 4500.0 941.5619 2400.0 977.6328 1100.0 994.6429 4900.0 995.6494 5200.0 1012.6348 4700.0 END IONS BEGIN IONS SCANS=429 PEPMASS=1040.6841 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1500.0 86.0948 1100.0 86.0967 12000.0 102.055 1000.0 117.0909 1500.0 175.1322 1400.0 199.1805 3000.0 201.1232 1900.0 213.1595 1800.0 227.1751 21000.0 229.118 4800.0 231.1698 2200.0 245.1855 7800.0 281.2216 1600.0 298.2483 1200.0 326.2433 15000.0 327.2469 1400.0 328.1861 14000.0 338.2316 3600.0 342.202 3100.0 344.254 3600.0 356.2426 31000.0 357.2456 1400.0 360.2121 9500.0 370.2576 1100.0 395.2641 2600.0 413.2752 2900.0 423.2582 3200.0 423.3221 1100.0 441.2701 91000.0 441.3308 1400.0 442.2736 8400.0 451.3159 8700.0 455.2859 4200.0 459.2807 21000.0 469.3266 140000.0 470.33 13000.0 483.3422 4100.0 508.3492 2000.0 526.3598 4500.0 536.3434 3600.0 546.3891 1700.0 554.3539 23000.0 564.3998 15000.0 572.3643 22000.0 582.4103 180000.0 583.4136 19000.0 596.4255 5600.0 663.468 11000.0 667.438 14000.0 681.4786 78000.0 682.4816 11000.0 685.4483 210000.0 686.4515 29000.0 701.4448 2000.0 702.4467 2200.0 703.4495 1500.0 750.4987 2700.0 760.4835 1100.0 778.4937 8000.0 779.499 1500.0 796.5043 6400.0 891.58 2200.0 908.5759 1000.0 909.59 13000.0 910.5931 3800.0 980.6276 1500.0 1003.6514 1600.0 1004.6575 1700.0 END IONS BEGIN IONS SCANS=430 PEPMASS=1042.61 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 180.1017 1200.0 245.1854 1600.0 247.1106 1700.0 261.1262 5500.0 279.1369 1200.0 324.2161 2900.0 342.2263 1200.0 360.1943 4900.0 362.1372 3300.0 376.1526 1100.0 411.2226 1700.0 437.2993 3600.0 441.2698 1700.0 455.3109 3600.0 457.2107 3800.0 459.2796 2500.0 475.2213 28000.0 476.2243 1800.0 489.2362 1200.0 524.3068 1900.0 542.3 2400.0 560.3098 2100.0 566.3243 3300.0 568.3953 4800.0 570.2949 2100.0 584.3347 5400.0 588.3049 12000.0 602.3457 7800.0 603.3499 1200.0 606.3157 5000.0 620.3314 1800.0 637.3906 2300.0 637.417 1200.0 655.402 7400.0 656.4047 1500.0 665.391 1100.0 673.3934 1500.0 683.4021 2800.0 683.4229 3000.0 701.3883 10000.0 701.4152 5800.0 702.3916 1800.0 719.3995 110000.0 720.4029 13000.0 737.4688 2300.0 780.4193 1800.0 782.4904 2400.0 796.5033 1500.0 798.4306 4800.0 814.4988 4600.0 816.4412 7300.0 847.5157 1000.0 850.5496 1300.0 865.5238 1900.0 883.5189 2000.0 911.5147 7400.0 929.5249 16000.0 930.5287 2100.0 943.5414 3800.0 950.6145 1400.0 960.6001 4500.0 978.6108 26000.0 979.6158 5000.0 996.6026 1900.0 997.5877 1800.0 1014.6133 12000.0 1015.6142 2200.0 END IONS BEGIN IONS SCANS=431 PEPMASS=1042.6105 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 1800.0 229.1181 1300.0 233.1322 2400.0 245.1853 1800.0 259.0741 1300.0 261.1265 12000.0 277.0848 1800.0 324.2163 4800.0 328.1862 1600.0 332.1996 4800.0 342.2013 1300.0 342.2271 2000.0 343.2949 1100.0 360.1946 26000.0 360.2107 3000.0 361.1974 1200.0 376.153 1400.0 378.2049 1900.0 383.1922 1200.0 411.2233 2700.0 429.216 2800.0 441.2703 2200.0 453.2411 6500.0 457.2112 4000.0 459.281 4000.0 471.2517 17000.0 475.2215 34000.0 489.2621 13000.0 524.3076 3500.0 538.3302 1100.0 540.4002 1300.0 542.3013 2400.0 560.3091 2800.0 566.325 5200.0 568.3958 2700.0 570.2941 5500.0 584.3355 14000.0 588.3053 14000.0 602.3461 20000.0 603.3502 2200.0 606.3157 2000.0 620.3314 2000.0 637.3917 4700.0 637.4167 1300.0 655.404 9300.0 665.3885 4800.0 665.4147 1800.0 673.3945 1700.0 683.4043 10000.0 683.4257 4200.0 701.3887 17000.0 701.4149 30000.0 702.42 2600.0 715.4301 3100.0 719.4 130000.0 720.4033 17000.0 764.4788 1400.0 770.4357 1400.0 780.4197 4100.0 782.4896 2000.0 796.4877 2500.0 798.4304 9400.0 812.4467 3300.0 814.4984 11000.0 815.501 2500.0 816.4417 12000.0 817.444 2800.0 830.4591 3400.0 865.5276 2300.0 883.5199 6200.0 884.5112 1400.0 893.5045 2900.0 911.515 14000.0 912.5155 2500.0 925.5317 2800.0 929.5256 29000.0 930.5293 3800.0 943.5405 6700.0 950.6146 2700.0 960.601 7200.0 961.6039 1900.0 978.6115 34000.0 979.616 6100.0 996.6036 4000.0 1006.5873 3600.0 1014.6151 20000.0 END IONS BEGIN IONS SCANS=432 PEPMASS=1042.6436 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1300.0 75.7092 1100.0 84.0445 1700.0 85.9249 1200.0 86.0968 30000.0 86.757 1300.0 101.9983 1100.0 106.7367 1100.0 117.0909 1900.0 117.4423 1300.0 130.0499 1700.0 132.1019 1600.0 150.3668 1200.0 183.1132 1500.0 187.4612 1300.0 192.0948 1100.0 199.1806 7700.0 201.1234 6200.0 209.0373 3300.0 227.1753 40000.0 229.1179 17000.0 231.1697 3200.0 245.1854 19000.0 255.1696 1600.0 281.2218 2400.0 293.1849 2100.0 295.2372 1700.0 296.1964 2400.0 297.1804 2000.0 324.1906 2800.0 326.2429 21000.0 328.1863 31000.0 340.259 2400.0 342.2016 20000.0 344.2535 2800.0 358.2005 38000.0 360.212 25000.0 376.2108 23000.0 377.2802 7000.0 395.2645 21000.0 396.2491 4300.0 409.2795 4300.0 413.2755 7600.0 423.2595 25000.0 437.275 5400.0 441.2701 150000.0 442.274 9700.0 453.2737 9500.0 455.2855 21000.0 459.2808 28000.0 471.2844 54000.0 489.295 77000.0 490.2985 8200.0 507.3058 11000.0 508.3484 26000.0 509.333 4200.0 525.291 4300.0 526.3592 15000.0 536.3428 25000.0 554.3536 75000.0 566.358 23000.0 568.37 12000.0 572.3645 34000.0 584.3685 65000.0 586.3796 19000.0 602.3787 150000.0 603.3819 17000.0 604.3214 14000.0 621.4313 5900.0 639.4432 7400.0 649.4268 7000.0 665.4261 16000.0 667.4376 65000.0 683.4367 41000.0 685.4483 660000.0 686.4517 80000.0 699.3948 19000.0 701.447 90000.0 702.451 14000.0 703.3892 5400.0 715.463 21000.0 717.4057 50000.0 718.4094 5500.0 770.4681 8800.0 771.4513 11000.0 780.4526 9300.0 786.534 5700.0 796.5191 7200.0 798.4632 35000.0 812.4787 14000.0 814.5315 41000.0 815.535 7600.0 816.474 38000.0 817.4769 5900.0 830.4892 22000.0 865.5451 5600.0 882.5936 4200.0 883.5514 26000.0 884.534 15000.0 885.5396 3000.0 893.5372 8600.0 911.5475 46000.0 912.5493 7500.0 925.5612 10000.0 929.558 97000.0 930.5607 22000.0 943.5728 33000.0 959.2067 1400.0 969.6242 1600.0 978.6225 1800.0 996.6349 11000.0 997.6188 15000.0 998.6215 2400.0 1014.6467 66000.0 1015.65 13000.0 END IONS BEGIN IONS SCANS=433 PEPMASS=1044.6573 CHARGE=1 COLLISION_ENERGY=0.0 89.06 3400.0 99.0808 1400.0 115.0755 2100.0 117.0912 8000.0 133.0862 3100.0 157.1222 1200.0 175.1329 4200.0 177.1123 1600.0 233.1748 2500.0 685.4467 1100.0 1008.6578 1000.0 1077.5991 1100.0 1078.5977 1600.0 END IONS BEGIN IONS SCANS=434 PEPMASS=1044.6562 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 2600.0 175.1328 1500.0 233.1745 1200.0 END IONS BEGIN IONS SCANS=435 PEPMASS=1044.6957 CHARGE=1 COLLISION_ENERGY=0.0 86.0947 1400.0 86.0967 19000.0 89.0599 1900.0 102.0548 1300.0 115.0752 2400.0 117.0911 5700.0 122.0965 6300.0 133.0858 2300.0 133.8574 1200.0 175.1329 3500.0 185.164 1900.0 199.1803 7300.0 201.1233 2300.0 213.1595 2400.0 227.1751 35000.0 229.1183 5600.0 235.1801 18000.0 245.1855 3900.0 281.2217 2800.0 298.2484 2200.0 326.2432 25000.0 328.1859 27000.0 332.1965 2300.0 342.2018 3700.0 342.2632 1700.0 344.2539 5400.0 350.2067 22000.0 351.2101 1200.0 352.2476 5000.0 370.258 65000.0 371.2622 3300.0 395.2645 6900.0 413.2751 8800.0 423.2594 8900.0 431.2642 6100.0 441.27 210000.0 442.2737 14000.0 449.275 23000.0 455.2853 7800.0 455.3459 1800.0 465.3312 14000.0 469.3264 2100.0 483.3421 240000.0 484.3452 19000.0 508.3489 6200.0 509.3326 1200.0 526.3591 13000.0 527.3621 1000.0 536.3428 6100.0 544.3478 4000.0 554.3538 53000.0 562.3586 21000.0 572.3638 8300.0 578.4153 24000.0 596.4258 300000.0 597.4289 34000.0 657.4321 27000.0 675.4429 260000.0 676.4457 38000.0 677.4842 15000.0 695.494 140000.0 696.4976 18000.0 706.4023 1100.0 764.5159 6000.0 774.4987 1000.0 792.5103 16000.0 793.5146 2300.0 810.5206 11000.0 811.523 1800.0 895.6076 1000.0 905.5934 4600.0 906.5966 1300.0 923.6049 21000.0 924.6078 3300.0 END IONS BEGIN IONS SCANS=436 PEPMASS=1048.6909 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1500.0 89.0602 1700.0 91.5081 1500.0 115.0755 1400.0 117.0913 3600.0 133.0861 1400.0 175.1329 1600.0 177.1122 1000.0 227.1759 1900.0 233.1749 1000.0 364.2484 1800.0 382.2592 1100.0 395.2649 1300.0 423.2597 1300.0 441.2704 8500.0 455.2862 1100.0 459.2814 1600.0 477.3326 1900.0 495.3426 3900.0 508.3483 1500.0 536.3448 1200.0 554.3541 3300.0 590.4144 3300.0 608.4261 6800.0 610.3708 1200.0 667.4374 3800.0 685.4485 33000.0 686.4509 3500.0 689.4844 2000.0 707.4953 4000.0 723.454 2900.0 804.5124 1400.0 820.5772 2000.0 822.5233 2000.0 836.5349 1500.0 889.6 1300.0 917.5953 1200.0 935.605 4800.0 936.61 1300.0 949.6234 1400.0 1020.6958 3700.0 END IONS BEGIN IONS SCANS=437 PEPMASS=1050.6699 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2200.0 91.5061 1600.0 227.1752 3600.0 229.1181 2100.0 245.1855 2000.0 326.2426 2800.0 328.1863 3000.0 342.2016 1800.0 360.2128 3000.0 366.2271 9900.0 384.2375 4300.0 385.3052 1800.0 395.2641 2200.0 423.2596 3300.0 441.2701 20000.0 442.2733 1800.0 455.2857 2800.0 459.2807 4700.0 461.3001 3500.0 479.3111 8300.0 480.3144 1000.0 497.3215 13000.0 508.3486 2700.0 515.3317 3500.0 526.3599 2700.0 536.344 4000.0 554.3542 11000.0 568.3702 2300.0 572.3643 5000.0 574.384 3000.0 586.3807 2400.0 592.3948 9700.0 610.4054 23000.0 611.4081 2700.0 612.3494 1400.0 639.4431 1400.0 649.4272 1300.0 667.4378 12000.0 668.4418 2000.0 673.4542 2200.0 685.4487 130000.0 686.4516 17000.0 691.4634 7000.0 707.421 3100.0 709.4737 15000.0 710.478 1800.0 723.4892 2900.0 725.4315 7900.0 784.3976 1200.0 804.5478 2000.0 806.4899 5500.0 820.5059 2400.0 822.5577 7600.0 824.5011 6100.0 838.5159 2600.0 891.5786 4500.0 892.5676 1900.0 901.5654 1600.0 919.5744 9200.0 920.5791 1400.0 933.5911 2400.0 937.5847 14000.0 938.5867 2500.0 951.6008 6000.0 952.6045 1300.0 1005.6486 2300.0 1014.647 2000.0 1022.6743 10000.0 1023.6769 2400.0 END IONS BEGIN IONS SCANS=438 PEPMASS=1050.6699 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3500.0 117.091 1300.0 199.1803 1000.0 227.1751 6200.0 229.1181 2400.0 245.1855 2400.0 326.2433 4800.0 328.1865 3900.0 342.2017 2800.0 360.2129 5800.0 366.2271 14000.0 384.2379 1500.0 395.2643 2900.0 413.2757 1100.0 423.2596 3500.0 433.305 1400.0 441.2703 27000.0 442.2734 2500.0 455.2854 3700.0 459.2808 6000.0 461.2999 4200.0 479.311 22000.0 480.3148 2200.0 497.3221 6400.0 508.3481 4100.0 509.3337 1300.0 515.3318 2400.0 526.3588 3400.0 536.3431 3700.0 554.354 14000.0 572.3642 7400.0 574.3845 5300.0 578.3783 2800.0 586.3804 3900.0 592.3946 27000.0 610.4053 18000.0 611.4096 1300.0 649.4273 1100.0 667.4378 14000.0 673.4533 4100.0 685.4486 160000.0 686.4515 20000.0 691.4634 17000.0 692.4657 2300.0 707.4221 4200.0 709.4739 8700.0 710.476 1100.0 723.4888 3000.0 725.4324 7800.0 726.434 1500.0 779.4781 2100.0 788.4796 2300.0 792.5109 1200.0 804.5472 2100.0 806.4908 11000.0 820.5057 2700.0 822.5574 6100.0 824.5012 2600.0 838.5175 4400.0 873.567 1200.0 891.5799 4800.0 892.5605 2700.0 901.564 1900.0 919.5745 13000.0 920.5777 2000.0 933.5881 2100.0 937.5848 15000.0 938.5886 2900.0 951.6006 5800.0 1005.6447 3000.0 1014.645 2400.0 1022.6738 13000.0 1023.6783 2800.0 END IONS BEGIN IONS SCANS=439 PEPMASS=1050.6678 CHARGE=1 COLLISION_ENERGY=0.0 86.0953 1500.0 86.0971 13000.0 87.0447 2800.0 89.0604 3100.0 99.0809 1100.0 115.0755 3400.0 117.0915 10000.0 133.0859 3200.0 146.0943 1000.0 157.1227 1500.0 175.1327 5300.0 177.1123 2100.0 190.1204 1100.0 199.1811 1700.0 201.1234 2700.0 227.175 7200.0 229.1181 5000.0 233.1745 4100.0 245.1856 9300.0 296.1975 1200.0 326.2429 5100.0 328.186 8000.0 342.2017 5500.0 348.2163 3200.0 352.2485 1500.0 360.2124 9100.0 366.2269 4400.0 384.2376 2900.0 395.2647 3000.0 409.2805 1000.0 413.2751 2600.0 423.2597 4100.0 441.2701 37000.0 442.2725 3000.0 451.3159 3300.0 455.286 6500.0 459.2808 12000.0 479.3109 38000.0 480.3144 2600.0 497.3214 13000.0 508.3483 3400.0 526.3586 3400.0 527.3435 1100.0 536.3437 5200.0 554.3539 15000.0 564.4 7100.0 568.3696 3600.0 572.3644 11000.0 592.3948 62000.0 593.3978 8100.0 610.4052 21000.0 611.4086 2100.0 639.4433 1100.0 649.4272 1300.0 667.438 14000.0 685.4484 150000.0 686.4519 16000.0 691.4629 41000.0 692.4662 5700.0 699.4636 7400.0 705.4789 1600.0 707.4217 2800.0 709.4737 14000.0 710.4766 2200.0 723.4889 2000.0 725.4321 4100.0 779.4802 2200.0 804.5457 1300.0 806.4896 8800.0 820.5035 1600.0 822.5582 4000.0 824.5001 4000.0 838.5155 2800.0 891.5782 3300.0 892.5598 2400.0 895.5732 1000.0 901.5615 1500.0 919.5729 9500.0 920.5739 1800.0 933.5861 2300.0 937.583 11000.0 938.5864 1700.0 951.6005 4000.0 1005.6453 2900.0 1008.6591 4800.0 1022.6712 9600.0 END IONS BEGIN IONS SCANS=440 PEPMASS=1050.7073 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 15000.0 183.112 1500.0 199.1806 4100.0 201.1229 2600.0 213.1593 1600.0 227.1751 18000.0 229.118 8400.0 243.1338 1200.0 245.1856 9800.0 283.1646 1200.0 296.1966 1500.0 311.1956 1600.0 326.2432 8900.0 328.186 11000.0 340.2587 1900.0 342.2015 11000.0 352.2471 1700.0 360.2122 13000.0 366.2633 17000.0 384.2736 10000.0 385.341 2300.0 395.2647 8200.0 409.2806 3300.0 413.2754 2400.0 423.2592 11000.0 437.2758 3300.0 441.27 64000.0 442.2737 4100.0 455.2856 19000.0 459.2802 11000.0 473.2961 3600.0 479.3469 23000.0 483.3419 4000.0 497.3576 33000.0 508.3485 10000.0 509.3329 1600.0 515.3683 3400.0 522.363 1900.0 526.3592 7500.0 536.343 10000.0 554.3538 34000.0 568.369 9000.0 572.3641 14000.0 586.3801 12000.0 592.4308 23000.0 596.4261 11000.0 610.4413 62000.0 611.4448 6400.0 612.3837 6500.0 621.4317 1900.0 639.4438 3000.0 649.4272 2700.0 667.438 28000.0 673.4888 6400.0 685.4483 290000.0 686.4514 32000.0 691.4995 17000.0 699.4636 39000.0 700.4672 5500.0 707.458 8200.0 709.5097 46000.0 710.5132 6200.0 723.5256 5000.0 725.4683 20000.0 778.531 2600.0 779.5143 7000.0 788.5156 4300.0 792.5474 3300.0 794.5982 2800.0 796.5398 1700.0 806.5258 16000.0 820.5416 4600.0 822.5938 21000.0 823.5985 3200.0 824.5367 19000.0 838.5527 9600.0 873.6036 2100.0 890.6561 2000.0 891.6148 13000.0 892.5988 5900.0 893.6025 1600.0 919.6098 24000.0 920.6143 5300.0 933.6264 4300.0 935.6769 3100.0 937.6205 49000.0 938.6238 8400.0 951.6359 13000.0 952.6395 2200.0 1004.6978 4900.0 1005.6835 7500.0 1022.7099 33000.0 1023.7133 5400.0 END IONS BEGIN IONS SCANS=441 PEPMASS=1050.7062 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1100.0 342.2024 1300.0 366.2636 1400.0 441.27 4900.0 455.2863 1600.0 459.2813 1100.0 479.348 1700.0 497.3579 2400.0 526.3593 1000.0 554.3549 2400.0 586.381 1200.0 592.4324 1300.0 596.4276 1100.0 610.4416 4800.0 667.4383 2000.0 685.4485 19000.0 686.4525 2300.0 691.4998 1800.0 699.4649 4300.0 709.5102 4000.0 725.4691 1200.0 806.528 1500.0 822.5945 1800.0 824.5379 1100.0 919.6107 1600.0 937.6206 3500.0 1022.7087 2100.0 END IONS BEGIN IONS SCANS=442 PEPMASS=1052.5446 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 14000.0 120.0806 11000.0 221.1282 2400.0 231.1127 4600.0 249.1228 6700.0 261.1594 2900.0 275.1749 1400.0 303.17 73000.0 304.1734 2800.0 330.1806 8200.0 332.1602 7000.0 337.186 1500.0 344.1966 17000.0 355.1973 3900.0 362.2066 11000.0 368.1965 1600.0 378.1806 4200.0 383.1917 1900.0 396.1913 1600.0 401.2176 5900.0 413.2179 3400.0 419.2281 3100.0 422.2437 6900.0 431.2281 14000.0 433.207 1500.0 450.238 73000.0 451.2414 6200.0 474.2711 2900.0 479.2284 12000.0 484.2546 5300.0 491.2642 3500.0 502.2654 29000.0 505.2803 2200.0 507.2596 8000.0 523.29 3800.0 533.2751 64000.0 534.2781 6700.0 551.2856 47000.0 552.2893 4400.0 574.3016 4000.0 578.2962 4200.0 585.3024 7000.0 592.3121 15000.0 603.3126 37000.0 604.3158 4500.0 615.3484 1400.0 631.3228 1900.0 649.3331 8300.0 654.3281 3400.0 673.3703 3000.0 680.3434 47000.0 681.3466 6900.0 691.3803 5200.0 698.3544 6900.0 732.3707 9600.0 744.4066 2900.0 750.381 63000.0 751.3845 8800.0 762.4172 9300.0 763.3804 4800.0 781.3905 14000.0 782.3936 2000.0 835.4697 1600.0 845.4545 11000.0 846.431 2500.0 862.4493 3700.0 863.4651 110000.0 864.4681 18000.0 880.4592 19000.0 881.4638 2900.0 882.438 3100.0 933.484 1500.0 951.4959 12000.0 952.4999 2600.0 953.4764 1400.0 END IONS BEGIN IONS SCANS=443 PEPMASS=1052.6851 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 5700.0 86.0981 1200.0 86.5649 1100.0 199.1802 3000.0 201.1229 1300.0 208.3197 1800.0 227.1753 7200.0 229.118 3300.0 245.1857 5300.0 326.2433 7200.0 328.1858 6800.0 342.2016 4700.0 350.2324 8300.0 360.2123 7100.0 368.2425 5900.0 395.2652 3000.0 413.275 2000.0 414.26 1600.0 423.2594 7100.0 437.2755 1400.0 441.2701 42000.0 445.3049 2100.0 455.2855 5000.0 459.2805 8700.0 463.316 12000.0 481.3264 16000.0 487.2508 1500.0 499.3365 7400.0 508.3486 7500.0 509.3322 1300.0 526.3591 5000.0 530.3936 1300.0 536.3431 10000.0 554.354 27000.0 558.3889 6100.0 572.364 12000.0 576.3996 21000.0 586.3798 4900.0 594.4103 52000.0 612.4211 2800.0 621.433 1400.0 639.4431 2800.0 649.4277 4500.0 667.4379 29000.0 675.4682 19000.0 685.4484 360000.0 686.4515 40000.0 691.4271 6800.0 693.4786 44000.0 707.4941 4700.0 709.4374 19000.0 710.4404 2700.0 711.4884 2900.0 727.4449 1100.0 762.5001 2400.0 763.4835 3900.0 772.4863 3300.0 788.5538 3100.0 790.4955 13000.0 791.4996 2300.0 804.5096 4800.0 806.5626 15000.0 807.5654 2300.0 808.506 19000.0 809.509 2300.0 822.5212 9000.0 857.5743 2500.0 858.5569 1100.0 875.5847 10000.0 876.5703 3800.0 885.5687 3800.0 893.5939 2300.0 903.5794 28000.0 904.5831 4300.0 921.5896 48000.0 922.5923 7900.0 935.6063 13000.0 939.6001 4300.0 953.6172 1500.0 988.6681 5400.0 989.6529 6200.0 990.6581 1400.0 998.652 4800.0 999.6551 1300.0 1006.6787 28000.0 1007.6824 5200.0 1016.6633 69000.0 1017.6667 15000.0 END IONS BEGIN IONS SCANS=444 PEPMASS=1052.6852 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 2100.0 84.0809 2700.0 86.0965 21000.0 87.0442 1300.0 89.0598 1500.0 117.0907 5800.0 130.0496 1700.0 175.1327 2500.0 199.1799 2200.0 201.1226 2200.0 225.159 2300.0 227.1751 6900.0 229.1182 6400.0 243.1704 3100.0 245.1856 9700.0 297.1795 1300.0 324.2162 2400.0 325.2111 3200.0 326.2434 5200.0 328.1859 8000.0 342.2018 7700.0 342.2381 5200.0 352.2475 26000.0 353.2511 1600.0 360.2119 13000.0 370.2579 5800.0 371.3259 1700.0 395.2646 2800.0 412.2433 3900.0 423.259 4400.0 437.3001 5800.0 439.254 12000.0 440.2383 28000.0 441.2698 31000.0 455.3107 8400.0 455.347 17000.0 457.2648 9900.0 459.28 12000.0 465.3316 6200.0 483.3418 25000.0 507.3174 3200.0 508.3481 4800.0 525.327 5200.0 526.3583 3300.0 532.3732 3500.0 536.3434 6700.0 550.384 12000.0 553.3218 18000.0 554.3536 17000.0 568.3942 29000.0 572.364 9400.0 596.4254 15000.0 612.4197 4300.0 613.4509 2800.0 631.442 4100.0 639.4427 2000.0 649.4244 1400.0 649.4515 11000.0 667.4368 17000.0 667.463 24000.0 683.4327 44000.0 685.448 220000.0 686.4518 9900.0 699.4633 7600.0 700.4673 3400.0 701.4428 63000.0 702.4459 6900.0 711.4521 18000.0 711.4888 6500.0 725.5042 3800.0 764.4786 7900.0 779.5139 5800.0 780.546 8200.0 782.49 11000.0 790.4954 3400.0 796.5062 3400.0 808.5048 4200.0 810.5201 6300.0 824.5361 5900.0 824.573 4400.0 838.5875 3100.0 849.5685 8400.0 850.5513 2100.0 859.5529 3000.0 877.5633 19000.0 891.5787 2100.0 892.5977 4100.0 895.5735 32000.0 903.579 4100.0 909.5885 8300.0 921.5883 11000.0 923.6068 3800.0 935.6046 4700.0 939.5965 5300.0 953.6162 4100.0 962.6521 2700.0 963.6349 2800.0 972.6362 2900.0 980.6624 21000.0 990.6469 51000.0 1006.6802 7400.0 1008.6573 290000.0 1016.6625 15000.0 1024.6859 4500.0 END IONS BEGIN IONS SCANS=445 PEPMASS=1052.6862 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 87.0442 1400.0 89.0598 1900.0 91.5081 1200.0 117.0909 5800.0 133.0857 2300.0 175.1328 3600.0 201.1227 1400.0 208.1332 2800.0 227.1753 2100.0 229.118 2600.0 233.1743 2000.0 245.1855 2300.0 324.2279 1800.0 328.1862 3300.0 342.2021 3000.0 342.2382 4600.0 352.2476 4700.0 360.2121 6300.0 370.2582 3100.0 383.1918 1400.0 413.2388 1700.0 421.2438 1900.0 422.2278 4200.0 439.2546 12000.0 441.2699 4400.0 457.2645 5800.0 459.2808 3500.0 463.316 2500.0 481.3272 3000.0 483.3423 5600.0 485.2843 1600.0 501.3521 2200.0 524.3437 2000.0 526.3232 1300.0 534.3276 1600.0 535.3115 3400.0 552.3392 7900.0 570.3491 3200.0 572.3643 5200.0 594.4099 6400.0 596.4268 8100.0 598.3694 3100.0 612.4209 3100.0 639.4067 1600.0 649.453 1100.0 657.4171 19000.0 665.4223 7400.0 683.433 66000.0 684.4365 9800.0 685.4488 8900.0 693.4783 6900.0 701.3915 1100.0 701.4434 40000.0 702.4465 5300.0 711.4525 15000.0 712.4565 1900.0 765.499 2100.0 772.4848 1000.0 780.5471 1800.0 782.4894 1300.0 790.4945 3300.0 792.5091 1300.0 806.563 2600.0 808.5064 2800.0 810.5214 3400.0 824.573 2600.0 826.5156 1500.0 849.5693 1700.0 875.5845 1400.0 877.563 3100.0 895.5734 3800.0 903.5797 3500.0 921.5896 12000.0 922.5887 2200.0 923.6046 3800.0 935.6035 3200.0 939.5991 3300.0 980.6639 2000.0 988.6641 1300.0 990.6472 7700.0 1006.6755 7000.0 1008.6583 38000.0 1016.6628 14000.0 1017.6688 4000.0 END IONS BEGIN IONS SCANS=446 PEPMASS=1052.6801 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 87.0442 1400.0 89.0598 1900.0 91.5081 1200.0 117.0909 5800.0 133.0857 2300.0 175.1328 3600.0 201.1227 1400.0 208.1332 2800.0 227.1753 2100.0 229.118 2600.0 233.1743 2000.0 245.1855 2300.0 324.2279 1800.0 328.1862 3300.0 342.2021 3000.0 342.2382 4600.0 352.2476 4700.0 360.2121 6300.0 370.2582 3100.0 383.1918 1400.0 413.2388 1700.0 421.2438 1900.0 422.2278 4200.0 439.2546 12000.0 441.2699 4400.0 457.2645 5800.0 459.2808 3500.0 463.316 2500.0 481.3272 3000.0 483.3423 5600.0 485.2843 1600.0 501.3521 2200.0 524.3437 2000.0 526.3232 1300.0 534.3276 1600.0 535.3115 3400.0 552.3392 7900.0 570.3491 3200.0 572.3643 5200.0 594.4099 6400.0 596.4268 8100.0 598.3694 3100.0 612.4209 3100.0 639.4067 1600.0 649.453 1100.0 657.4171 19000.0 665.4223 7400.0 683.433 66000.0 684.4365 9800.0 685.4488 8900.0 693.4783 6900.0 701.3915 1100.0 701.4434 40000.0 702.4465 5300.0 711.4525 15000.0 712.4565 1900.0 765.499 2100.0 772.4848 1000.0 780.5471 1800.0 782.4894 1300.0 790.4945 3300.0 792.5091 1300.0 806.563 2600.0 808.5064 2800.0 810.5214 3400.0 824.573 2600.0 826.5156 1500.0 849.5693 1700.0 875.5845 1400.0 877.563 3100.0 895.5734 3800.0 903.5797 3500.0 921.5896 12000.0 922.5887 2200.0 923.6046 3800.0 935.6035 3200.0 939.5991 3300.0 980.6639 2000.0 988.6641 1300.0 990.6472 7700.0 1006.6755 7000.0 1008.6583 38000.0 1016.6628 14000.0 1017.6688 4000.0 END IONS BEGIN IONS SCANS=447 PEPMASS=1052.6849 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1000.0 86.0968 3800.0 87.0444 1500.0 89.0601 2100.0 115.0755 2200.0 117.091 4500.0 133.0858 1900.0 175.1327 2300.0 199.1804 1500.0 227.1752 3000.0 229.1183 3100.0 233.1745 2100.0 245.1855 2100.0 328.1866 1600.0 342.2018 3300.0 352.2484 1600.0 355.1857 8100.0 360.2124 2700.0 369.2015 1400.0 371.3261 8400.0 439.255 1900.0 441.2702 4700.0 454.2544 12000.0 457.2649 4800.0 465.3316 1600.0 481.3274 2100.0 483.3426 3100.0 484.41 3700.0 554.3542 2800.0 569.2806 5800.0 570.3491 1800.0 594.4098 2500.0 596.426 4300.0 599.4372 8000.0 643.4009 1400.0 667.4373 1900.0 668.4409 1700.0 682.3645 2500.0 683.433 5500.0 685.4486 18000.0 693.4778 2600.0 700.4681 2300.0 701.4433 22000.0 702.4459 2600.0 711.4528 2800.0 711.488 1900.0 790.4931 1200.0 806.5614 2000.0 808.5057 1900.0 824.5368 1100.0 903.5787 1800.0 921.5897 4200.0 922.5898 1100.0 938.6205 1100.0 939.5995 3500.0 976.6289 1600.0 980.6634 1100.0 990.6469 1600.0 994.6417 1600.0 1008.6564 11000.0 1016.6621 3700.0 1022.6733 6500.0 1024.6871 3400.0 END IONS BEGIN IONS SCANS=448 PEPMASS=1053.7208 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 89.0597 1800.0 115.0753 1100.0 117.0907 4900.0 133.0854 1900.0 175.1328 3500.0 177.1118 1100.0 199.1798 1400.0 201.123 1100.0 227.1752 4400.0 229.1183 2400.0 233.1744 1000.0 245.1313 1000.0 245.1856 2200.0 324.2164 2800.0 326.2435 2200.0 328.1862 2600.0 342.2017 2700.0 346.1418 1300.0 352.247 3300.0 360.2129 2800.0 370.2579 1300.0 378.1677 1800.0 395.2645 2400.0 423.2591 1700.0 437.3 4200.0 441.27 20000.0 455.2855 4300.0 455.3104 3900.0 459.2264 9700.0 459.2802 4800.0 465.3318 5200.0 483.3426 6400.0 508.3485 2800.0 526.3049 1500.0 526.3586 1800.0 532.374 2300.0 536.3436 3800.0 540.4016 1100.0 550.3833 5900.0 554.3538 8800.0 568.3942 16000.0 572.3106 5300.0 572.364 5100.0 596.4262 7100.0 604.3376 1800.0 614.3824 4600.0 631.4415 1900.0 639.4434 1100.0 649.4271 1400.0 649.4521 5300.0 667.437 8200.0 667.4631 9700.0 671.4329 6600.0 685.3942 5500.0 685.4483 100000.0 686.451 12000.0 701.4443 1900.0 702.4459 1400.0 703.4045 62000.0 711.4539 2800.0 713.4512 4700.0 729.4089 1600.0 764.4785 3300.0 778.4939 2000.0 780.5475 6000.0 781.548 1200.0 782.4908 5100.0 796.5059 2600.0 810.467 1700.0 810.5201 1900.0 826.5364 3200.0 828.4767 2700.0 842.493 1000.0 849.5682 4500.0 859.5524 1700.0 877.5637 8000.0 891.5797 1700.0 893.6315 1500.0 895.5745 15000.0 896.5767 2600.0 905.5952 1100.0 909.5894 5500.0 923.5508 4000.0 923.6047 1700.0 939.6152 1300.0 941.561 8500.0 955.5782 3600.0 962.651 1900.0 980.6633 8500.0 981.6696 2200.0 990.6471 24000.0 991.6507 5600.0 1007.7207 3400.0 1008.658 130000.0 1009.6619 30000.0 1026.6506 7300.0 END IONS BEGIN IONS SCANS=449 PEPMASS=1053.7172 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 89.0599 1300.0 115.0751 1900.0 117.0911 4800.0 133.0855 1800.0 175.1331 2700.0 177.1115 1300.0 227.1752 2600.0 229.1179 1400.0 233.1745 1300.0 326.2433 1600.0 328.1862 3200.0 338.2319 2500.0 346.1969 2100.0 356.2426 1800.0 360.2129 1000.0 395.2653 1200.0 423.2592 2200.0 427.2538 1200.0 437.2751 1000.0 441.2704 17000.0 442.2735 1200.0 445.2646 2700.0 451.3156 4200.0 455.2861 2200.0 455.3111 1300.0 459.281 1800.0 469.3266 7400.0 473.3217 1500.0 508.3481 3600.0 536.343 3800.0 540.3378 1900.0 546.3888 2000.0 554.3539 8300.0 558.3492 2200.0 564.3995 5500.0 568.3943 6800.0 572.3642 2800.0 582.4105 16000.0 625.4291 1300.0 635.4105 1500.0 645.4563 2100.0 653.4225 9500.0 663.4689 7200.0 671.433 88000.0 672.4365 11000.0 681.4789 19000.0 685.4482 34000.0 700.4687 1200.0 703.4059 1600.0 764.4793 1300.0 778.4946 5000.0 780.5473 4900.0 782.4905 1500.0 794.5632 1500.0 796.5062 6500.0 810.5225 1000.0 831.5597 1000.0 849.5681 4200.0 877.5638 5800.0 878.5675 1000.0 891.5789 6000.0 895.5752 4400.0 905.5944 1200.0 909.5895 18000.0 910.5921 3200.0 923.6033 2300.0 962.6547 1900.0 972.6391 2100.0 980.6637 9200.0 990.6473 24000.0 991.6505 4000.0 994.6808 2100.0 1004.6626 4900.0 1008.658 130000.0 1009.6613 28000.0 1022.6744 27000.0 1023.6772 5200.0 END IONS BEGIN IONS SCANS=450 PEPMASS=1053.717 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1600.0 89.06 1500.0 91.506 1300.0 101.0712 1800.0 117.091 4000.0 126.1024 1600.0 133.0859 1400.0 175.1326 2000.0 177.1118 1200.0 227.1751 1300.0 233.1745 1600.0 328.1864 1700.0 441.2699 7100.0 451.3156 2100.0 455.2858 3500.0 469.3271 3000.0 508.3483 1300.0 536.3428 1600.0 546.3895 1200.0 554.3542 2400.0 564.3995 3600.0 568.3691 1800.0 568.3946 3000.0 582.4107 8600.0 586.378 1200.0 635.4104 1100.0 653.4224 4400.0 671.4327 35000.0 672.4363 3900.0 681.4788 7600.0 685.4482 8700.0 699.4643 20000.0 700.467 2600.0 701.4419 1100.0 778.4941 1800.0 780.5453 1800.0 792.5113 1200.0 796.5047 1900.0 810.521 2200.0 849.5672 1300.0 877.5616 2800.0 877.6014 1100.0 891.5783 2100.0 895.5729 1800.0 905.5961 2100.0 909.5891 5800.0 910.5909 1100.0 923.6045 5300.0 980.6598 3300.0 981.6619 1200.0 990.6471 9200.0 991.6492 2000.0 1008.6572 49000.0 1009.6602 12000.0 1018.6761 3400.0 1022.675 2400.0 END IONS BEGIN IONS SCANS=451 PEPMASS=1053.7153 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1900.0 126.1024 1100.0 175.1326 1400.0 360.2125 1200.0 423.2596 1000.0 441.2702 7100.0 465.3322 1200.0 469.326 1100.0 483.3415 1500.0 508.3471 1000.0 536.3431 1000.0 554.3542 2800.0 578.4154 2400.0 582.4106 2300.0 596.4261 4200.0 667.4385 2800.0 671.4332 14000.0 681.4785 2700.0 685.4485 32000.0 686.4523 4400.0 695.4938 4200.0 711.4513 1500.0 792.5089 1200.0 810.5201 2100.0 824.5384 1000.0 877.5974 1200.0 905.5939 3100.0 909.5903 2400.0 923.6047 3900.0 924.6063 1200.0 980.6628 1300.0 990.6467 4100.0 1008.656 17000.0 1009.6585 4000.0 1018.6788 6000.0 1019.6832 2300.0 END IONS BEGIN IONS SCANS=452 PEPMASS=1053.7164 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 1500.0 175.1328 1400.0 441.2704 5100.0 465.332 1100.0 483.342 1700.0 508.3483 1200.0 526.3585 1100.0 554.3546 2900.0 572.3649 1000.0 578.4151 1400.0 582.4094 1200.0 596.426 4600.0 667.438 3900.0 671.4312 1200.0 677.4826 1700.0 685.4485 38000.0 686.4517 5000.0 695.4943 4500.0 711.4536 1000.0 792.5104 1100.0 808.5768 1300.0 810.5187 1200.0 877.598 1400.0 905.5945 2100.0 923.6052 6000.0 1008.6541 2000.0 1008.7019 2600.0 1018.6784 6100.0 1022.6727 4800.0 END IONS BEGIN IONS SCANS=453 PEPMASS=1054.6479 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 8200.0 87.0442 2100.0 89.06 4400.0 99.0806 1100.0 104.0529 2800.0 115.0752 2700.0 117.0912 12000.0 124.0804 1100.0 126.1024 1100.0 133.0858 4100.0 175.1326 6300.0 177.1118 2000.0 190.1196 1200.0 199.1801 1500.0 217.1367 1700.0 227.1752 5700.0 229.1183 5100.0 233.1747 3100.0 245.1315 6600.0 245.1858 5500.0 263.1418 2700.0 324.2163 1800.0 326.2437 3100.0 328.1859 6000.0 342.2016 4600.0 344.1998 3900.0 346.1429 6300.0 352.2476 11000.0 360.1578 1800.0 360.2121 6800.0 370.258 6700.0 378.1685 2500.0 395.2648 3300.0 413.2215 2500.0 423.2593 4400.0 437.3001 2400.0 441.2162 5600.0 441.2701 23000.0 442.2741 3700.0 455.3105 4100.0 459.2264 33000.0 459.2807 6200.0 465.3317 16000.0 473.2416 4900.0 483.3423 20000.0 501.3518 2700.0 508.3484 1700.0 526.3049 5100.0 526.3589 1700.0 536.3437 3000.0 544.3153 4700.0 554.3542 6700.0 568.3944 7800.0 572.3104 18000.0 590.3208 11000.0 596.3727 9500.0 596.4263 18000.0 600.366 1300.0 604.3373 6500.0 614.3823 18000.0 615.387 1400.0 639.3891 1000.0 649.4527 2600.0 657.4202 4300.0 685.3954 17000.0 685.4484 48000.0 686.4516 26000.0 695.4399 6800.0 695.4934 6600.0 703.405 190000.0 704.408 22000.0 711.4527 9800.0 713.4513 15000.0 717.4191 2300.0 729.4099 4300.0 765.5031 2300.0 780.5485 2300.0 782.4943 2500.0 792.4568 2000.0 792.5111 2500.0 796.5051 2100.0 810.4665 6100.0 810.5207 4800.0 824.5377 3200.0 826.535 10000.0 828.4774 6400.0 842.4924 3200.0 850.5699 1100.0 877.5607 2900.0 878.5654 3900.0 895.5746 6600.0 896.5398 1800.0 896.5803 3600.0 905.5392 2900.0 923.5507 10000.0 923.6049 3900.0 937.5666 3300.0 941.5618 25000.0 942.5652 3800.0 955.5771 7800.0 978.6477 2200.0 980.6644 3800.0 981.6674 3900.0 990.6479 8000.0 991.6516 11000.0 1008.6584 49000.0 1009.662 57000.0 1010.6685 5400.0 1026.6506 19000.0 END IONS BEGIN IONS SCANS=454 PEPMASS=1054.647 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7200.0 87.0441 2600.0 89.0598 2500.0 91.506 1100.0 99.0803 1500.0 101.0708 2200.0 115.0752 3300.0 117.0911 11000.0 126.1023 1600.0 133.0859 3400.0 157.1224 1400.0 168.1063 1200.0 175.1328 7000.0 177.112 2400.0 199.1801 1000.0 217.1365 1800.0 227.1749 3400.0 229.1181 4400.0 233.1744 3200.0 245.1314 7100.0 245.1856 4700.0 291.2148 1100.0 328.1859 6500.0 342.2009 3700.0 344.1991 5500.0 352.2476 7100.0 355.1856 5300.0 360.2124 5700.0 370.2584 3300.0 371.326 4300.0 395.2649 2800.0 413.2201 2500.0 413.2752 1100.0 423.2591 1700.0 441.2152 4000.0 441.2697 13000.0 442.2735 2800.0 454.2541 4700.0 459.2263 27000.0 459.2799 5000.0 473.2415 3400.0 483.2878 6100.0 483.3421 4300.0 501.2985 7600.0 508.3488 1400.0 526.3055 3100.0 526.3585 1400.0 536.3437 2100.0 544.3141 3100.0 554.3535 7500.0 572.3102 12000.0 572.3638 5800.0 582.4095 4500.0 596.3716 9000.0 596.4254 7300.0 600.4397 3300.0 604.3378 2400.0 614.3821 17000.0 615.3846 1600.0 649.4537 1100.0 667.4372 4600.0 681.4786 4200.0 685.3959 14000.0 685.448 50000.0 686.451 24000.0 695.4402 7200.0 702.4464 3300.0 703.4046 110000.0 704.408 12000.0 711.4517 6400.0 713.4504 17000.0 714.4542 2400.0 764.4785 1300.0 765.4997 1900.0 792.4561 1300.0 794.5629 1700.0 796.5032 1700.0 797.5065 1500.0 810.4669 4400.0 810.5233 2400.0 824.4806 2800.0 826.5349 6600.0 828.4755 4400.0 842.4933 3300.0 891.5773 2300.0 892.5822 2000.0 894.5947 1100.0 895.5596 4000.0 896.5333 1100.0 896.5738 1800.0 909.5889 4400.0 910.5936 3000.0 923.551 6100.0 923.6017 2600.0 941.5611 14000.0 942.5632 2300.0 955.5757 6300.0 980.6608 2000.0 990.6497 3900.0 991.6517 4800.0 994.677 2100.0 995.6826 2700.0 1008.6585 22000.0 1009.6616 25000.0 1022.6726 19000.0 1023.676 25000.0 1026.6508 11000.0 END IONS BEGIN IONS SCANS=455 PEPMASS=1054.6975 CHARGE=1 COLLISION_ENERGY=0.0 82.6369 1100.0 84.0449 1400.0 84.4814 1200.0 86.0947 2100.0 86.0968 28000.0 91.5081 2700.0 102.0527 1800.0 102.0547 2300.0 111.0151 1200.0 117.0908 4200.0 133.8575 1600.0 142.8045 1300.0 159.6528 2100.0 161.5373 1400.0 175.1324 1500.0 183.1124 1400.0 185.1646 2200.0 199.1805 8500.0 201.1233 3300.0 213.1599 3200.0 215.1026 3200.0 227.1751 49000.0 229.1178 10000.0 245.1855 23000.0 281.2218 3700.0 281.3758 1200.0 298.2483 4200.0 326.2433 39000.0 327.2467 1700.0 328.1863 32000.0 342.2018 9300.0 342.2638 2300.0 344.2533 12000.0 352.2476 6000.0 360.2117 22000.0 368.2423 3800.0 370.2582 97000.0 371.2612 5900.0 395.2648 8200.0 413.2747 9800.0 423.2594 9200.0 437.337 2200.0 441.2701 250000.0 442.2735 19000.0 447.3205 2100.0 455.2855 8500.0 459.2805 59000.0 465.3316 22000.0 469.3271 4600.0 483.3422 380000.0 484.3453 30000.0 508.3481 5200.0 526.3585 15000.0 536.3432 7700.0 547.5859 1700.0 554.3538 56000.0 568.4308 10000.0 572.3644 58000.0 578.4149 31000.0 596.426 460000.0 597.4289 52000.0 613.4232 1600.0 639.4449 2200.0 647.6473 1600.0 649.4261 1300.0 667.4377 40000.0 677.484 27000.0 685.4483 560000.0 686.4515 81000.0 695.4944 210000.0 696.4972 28000.0 701.4429 2900.0 702.4456 2600.0 705.1194 1200.0 711.4504 1600.0 721.0843 1200.0 764.5158 6800.0 774.4981 1900.0 777.998 1300.0 779.7864 1300.0 792.5098 23000.0 793.5128 3900.0 810.5211 8500.0 811.5243 3200.0 814.4883 1200.0 824.5374 2300.0 865.8922 1400.0 882.7662 1500.0 886.6019 1200.0 905.5955 6700.0 923.5565 1900.0 923.6046 35000.0 924.608 4000.0 941.6039 1500.0 976.6315 1800.0 994.642 10000.0 1017.6777 1300.0 1018.2712 1500.0 1018.6738 1500.0 END IONS BEGIN IONS SCANS=456 PEPMASS=1056.6262 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3900.0 166.0528 1300.0 199.1801 1000.0 215.139 1100.0 227.1755 2900.0 253.169 1400.0 261.1263 1800.0 263.0693 6900.0 279.137 14000.0 326.2435 2700.0 328.1864 2800.0 330.1653 1200.0 338.2319 7700.0 356.2426 2400.0 362.1374 4600.0 374.2098 1100.0 376.1532 7400.0 394.1637 21000.0 395.2657 1100.0 423.2591 2300.0 433.3053 1700.0 441.2703 19000.0 442.2733 1400.0 447.2272 1300.0 448.2108 1700.0 451.3164 9800.0 469.3269 9000.0 475.2218 6300.0 478.302 1700.0 489.2368 1500.0 493.2324 11000.0 507.2482 1500.0 524.3077 3400.0 524.3304 1100.0 542.3185 1300.0 543.2839 1100.0 546.3888 5400.0 552.3621 3500.0 564.3999 12000.0 570.2943 5100.0 582.4102 15000.0 588.3055 17000.0 588.3672 2800.0 602.3204 2300.0 606.316 12000.0 616.362 16000.0 620.332 5600.0 637.3916 6900.0 645.4574 4600.0 655.4024 13000.0 663.4678 8000.0 667.3902 8700.0 673.3943 4300.0 681.479 15000.0 686.4524 3000.0 701.3897 24000.0 713.379 4700.0 719.4001 240000.0 720.4031 29000.0 729.4448 4600.0 731.3892 14000.0 750.4995 2400.0 766.4581 3000.0 778.4949 5600.0 785.4363 4700.0 794.5637 6900.0 796.5046 2800.0 812.4498 3600.0 826.4617 3700.0 830.4581 6200.0 842.5316 2200.0 844.4728 8400.0 845.4758 1700.0 861.5338 1400.0 863.5826 4400.0 879.5431 3300.0 891.5816 4100.0 893.5566 4000.0 898.519 5700.0 907.5212 2100.0 925.5308 8800.0 939.5474 4600.0 941.5972 2500.0 943.5411 23000.0 944.5444 4900.0 957.5563 12000.0 964.6317 4000.0 974.6174 22000.0 975.6196 4600.0 992.627 110000.0 993.6306 22000.0 1011.6027 4300.0 1020.6035 4900.0 1028.6309 19000.0 1029.6334 4800.0 END IONS BEGIN IONS SCANS=457 PEPMASS=1056.626 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4700.0 91.5082 1400.0 166.053 1100.0 180.1013 2900.0 201.1232 1400.0 219.1155 1400.0 229.1177 2300.0 244.0998 1400.0 245.1859 3500.0 247.1106 4100.0 261.1263 17000.0 296.1964 1100.0 328.1863 3400.0 332.1992 1500.0 338.2317 6200.0 342.2013 2100.0 356.2424 2800.0 360.1943 16000.0 360.2113 3500.0 362.1372 10000.0 372.1576 1700.0 376.1533 1100.0 411.2236 4600.0 414.2584 1900.0 429.2154 2100.0 433.305 1500.0 441.2701 6600.0 447.2263 1600.0 451.3159 7200.0 457.2111 7700.0 459.2802 7100.0 469.3261 8300.0 475.2213 64000.0 476.2246 5300.0 503.2774 1100.0 524.3071 4400.0 538.3483 1400.0 542.2999 5800.0 560.3098 6900.0 570.2943 6700.0 580.3405 7600.0 582.4102 11000.0 588.3049 25000.0 598.3513 15000.0 606.3159 12000.0 616.3612 18000.0 617.3648 2100.0 620.3315 3500.0 637.3904 6600.0 641.3867 5200.0 651.4322 3200.0 655.4025 13000.0 673.3936 3100.0 679.4268 3400.0 697.4174 5300.0 697.4387 6000.0 701.3895 28000.0 705.3839 7400.0 715.4297 16000.0 719.3997 220000.0 720.4026 30000.0 733.4145 3700.0 751.4841 5300.0 764.5168 2500.0 766.4609 1400.0 784.4515 1300.0 794.4344 5800.0 796.505 3100.0 810.5194 2900.0 812.4467 10000.0 828.5143 12000.0 830.4566 17000.0 831.4597 2300.0 844.4715 2100.0 861.533 4500.0 864.5681 1400.0 879.5426 9000.0 880.5468 1500.0 893.5571 1900.0 897.5349 5000.0 907.5168 3400.0 925.5297 17000.0 926.5344 3400.0 939.5455 4100.0 943.5406 38000.0 944.5449 5900.0 957.5557 6800.0 964.631 6600.0 974.616 14000.0 975.6202 3300.0 992.6263 67000.0 993.6295 13000.0 1010.6182 4300.0 1020.604 3900.0 1028.6299 29000.0 1029.6351 5800.0 END IONS BEGIN IONS SCANS=458 PEPMASS=1056.626 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 4000.0 115.0752 1400.0 117.0908 2800.0 175.1321 1600.0 201.1232 1100.0 227.1751 1500.0 229.1183 3300.0 233.1316 4400.0 233.1744 1000.0 245.1857 3400.0 259.0748 1100.0 261.1263 15000.0 277.0841 2400.0 328.1859 4300.0 332.1992 6500.0 338.2321 6400.0 342.2015 1900.0 356.2422 2400.0 360.1945 30000.0 360.2107 4800.0 361.1974 1900.0 378.2049 2900.0 397.2074 2300.0 411.2231 4100.0 413.2756 1200.0 429.2162 3400.0 441.2704 8600.0 441.3317 1500.0 444.2157 1800.0 457.2113 5100.0 459.2801 5900.0 467.2567 8500.0 469.3265 4400.0 475.2215 43000.0 485.2675 21000.0 503.2777 18000.0 504.2804 1400.0 510.2913 2400.0 524.3071 6900.0 542.3 4100.0 560.3105 4500.0 570.2941 6300.0 580.3405 7200.0 582.4103 6900.0 588.3051 19000.0 598.3511 18000.0 606.3163 3500.0 616.3615 27000.0 617.3657 2900.0 620.3315 3000.0 637.3906 6400.0 641.3851 4200.0 651.4326 3300.0 655.4029 11000.0 679.4042 6700.0 685.4497 2500.0 697.4187 11000.0 697.4406 4900.0 701.3892 26000.0 702.3929 4000.0 705.3837 6800.0 715.4299 35000.0 719.3997 160000.0 720.4031 18000.0 751.4832 2800.0 766.4581 1400.0 778.5298 1300.0 784.4509 1500.0 794.4362 3900.0 796.5031 2500.0 810.5016 3600.0 812.4466 12000.0 826.4615 2900.0 828.5142 16000.0 830.4568 14000.0 844.4736 4500.0 861.5345 4000.0 879.5431 5900.0 880.5482 1300.0 891.5805 1200.0 897.5355 6600.0 898.5264 1500.0 907.5177 2400.0 925.531 17000.0 926.535 3200.0 939.5478 2600.0 943.541 37000.0 944.544 6700.0 957.5561 9600.0 964.6351 4700.0 974.6167 15000.0 975.6203 2400.0 992.6269 55000.0 993.6313 11000.0 1010.6176 4800.0 1020.6042 5200.0 1028.63 29000.0 1029.6337 5800.0 END IONS BEGIN IONS SCANS=459 PEPMASS=1056.6259 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 4500.0 87.044 2200.0 89.0596 3800.0 99.0802 2000.0 101.096 1600.0 115.075 2900.0 117.0906 11000.0 133.0854 3100.0 157.1221 1000.0 175.1326 6100.0 177.1115 2000.0 227.1747 3300.0 229.1182 2400.0 233.131 1400.0 233.1746 3900.0 245.1853 2500.0 261.1263 5900.0 277.0847 1000.0 324.2156 2000.0 326.2427 1400.0 328.185 2200.0 332.1996 2300.0 338.2322 2800.0 342.2014 1800.0 352.2467 1300.0 356.2417 1400.0 360.1946 11000.0 360.2118 2800.0 395.265 1100.0 423.259 1500.0 429.215 1700.0 437.2997 2400.0 441.2698 9600.0 442.2735 5300.0 443.2756 2100.0 455.3106 2400.0 457.2114 3200.0 459.2804 3400.0 467.2561 3600.0 475.2216 23000.0 485.2666 6600.0 503.2775 6200.0 508.3476 1800.0 524.3065 2600.0 526.3583 1400.0 536.3437 1600.0 542.3012 1500.0 554.3542 4400.0 568.3942 6100.0 569.3977 7000.0 580.3395 3900.0 588.3049 12000.0 598.3509 8300.0 602.3195 1100.0 606.3154 3000.0 616.3611 12000.0 620.3309 1400.0 637.3891 3000.0 649.4521 2500.0 655.402 6700.0 668.4662 5300.0 685.4488 30000.0 686.4515 40000.0 687.4542 34000.0 688.4562 7200.0 701.389 11000.0 703.4038 3100.0 715.4297 15000.0 716.434 2500.0 719.3994 88000.0 720.4026 12000.0 751.4852 1800.0 766.4858 1900.0 782.5555 2300.0 783.4916 1500.0 784.4962 2900.0 796.5056 1700.0 812.4462 7100.0 826.461 2000.0 828.5132 6300.0 830.4572 6000.0 844.4727 1300.0 849.5672 1000.0 878.5656 2700.0 879.5724 3600.0 895.572 2500.0 896.5776 6400.0 897.5346 2900.0 897.5798 10000.0 911.5912 2400.0 925.5294 7900.0 926.5346 1700.0 939.5461 1800.0 943.5402 18000.0 944.5435 4000.0 957.5568 4700.0 974.614 6900.0 982.6689 5600.0 991.6513 5700.0 992.6273 19000.0 993.6583 3500.0 1008.6576 19000.0 1009.6603 26000.0 1010.6638 70000.0 1011.6665 31000.0 1028.6298 14000.0 END IONS BEGIN IONS SCANS=460 PEPMASS=1056.6259 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1300.0 86.0967 2100.0 87.0443 3100.0 89.06 4400.0 99.0807 1400.0 101.0711 1600.0 101.0963 1200.0 115.0755 3600.0 117.0911 12000.0 128.1182 1700.0 133.0859 4800.0 157.1221 1400.0 175.1326 6900.0 177.1117 2600.0 227.1754 1600.0 227.6536 1100.0 233.1314 1300.0 233.1747 4600.0 245.1853 1300.0 261.1261 3100.0 291.2161 1600.0 324.2171 1100.0 328.1859 1900.0 338.2318 1400.0 342.2023 1100.0 360.1945 6600.0 360.2118 2300.0 437.2999 1300.0 438.3029 1400.0 441.2702 3500.0 442.2737 2700.0 455.2854 1200.0 459.2801 2500.0 467.2572 1900.0 469.3261 1400.0 475.2218 9400.0 485.2669 5200.0 503.2778 4500.0 524.3078 1300.0 555.3575 1800.0 568.3941 2600.0 569.3983 3800.0 570.4014 2500.0 588.3051 4200.0 598.3509 3600.0 616.3615 7000.0 637.3916 1200.0 668.4664 2400.0 685.4492 8700.0 686.4517 20000.0 687.4543 22000.0 688.4558 4800.0 697.4142 2900.0 701.3889 7100.0 703.4042 1300.0 715.4296 7800.0 719.3997 37000.0 720.4031 4900.0 729.444 1500.0 751.4824 1100.0 782.5514 1000.0 784.494 1300.0 796.5053 1000.0 798.5114 1200.0 812.447 2600.0 826.4601 1000.0 828.5142 2900.0 830.4586 3100.0 851.5729 1400.0 879.5701 1200.0 896.5781 2500.0 897.5336 1600.0 897.5784 4800.0 898.5822 2000.0 911.5951 1500.0 925.5317 4100.0 943.5406 8600.0 944.5397 1100.0 957.5556 2300.0 974.6124 2900.0 982.6693 2900.0 992.6147 7000.0 992.6501 3600.0 993.6546 2300.0 1009.6616 7200.0 1010.6643 46000.0 1011.6675 21000.0 1028.6304 6900.0 END IONS BEGIN IONS SCANS=461 PEPMASS=1058.6733 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 9100.0 89.0602 1900.0 101.0712 1200.0 115.0757 1400.0 117.0911 4600.0 131.0813 3500.0 133.0859 1500.0 175.1327 2200.0 233.1747 1400.0 END IONS BEGIN IONS SCANS=462 PEPMASS=1058.673 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=463 PEPMASS=1058.6704 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=464 PEPMASS=1058.6721 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=465 PEPMASS=1058.6725 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=466 PEPMASS=1058.6737 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 3800.0 117.0913 1900.0 131.0817 1600.0 END IONS BEGIN IONS SCANS=467 PEPMASS=1062.5772 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1400.0 115.0756 1800.0 117.091 6200.0 133.0859 2200.0 175.1328 2800.0 177.1121 1100.0 233.175 1600.0 508.2222 1000.0 534.2383 1000.0 568.2424 1900.0 594.2579 1900.0 626.285 1300.0 666.2418 1800.0 702.3894 2700.0 720.3981 3400.0 728.4039 1600.0 733.3208 1600.0 739.368 3700.0 751.3317 1300.0 764.4242 1200.0 800.3885 3000.0 806.3386 1400.0 818.3981 6900.0 832.389 2900.0 836.4084 5200.0 846.4047 1800.0 856.3897 1200.0 874.4005 3300.0 876.3785 1100.0 885.4784 1000.0 892.4105 3800.0 894.3876 2900.0 903.4885 1900.0 913.4725 5200.0 921.4985 4400.0 931.4819 7100.0 932.4838 1100.0 949.4932 2600.0 956.5162 1300.0 974.5237 2400.0 975.5266 3000.0 1000.5762 4500.0 1019.5187 4600.0 1026.5554 27000.0 END IONS BEGIN IONS SCANS=468 PEPMASS=1064.5815 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4300.0 120.0809 4800.0 233.1646 1600.0 261.1594 3400.0 303.1699 32000.0 304.1731 1500.0 330.18 2600.0 344.1968 2200.0 355.1971 1300.0 374.243 2000.0 401.2178 2600.0 408.2283 2400.0 422.243 4800.0 443.265 2600.0 450.2381 100000.0 451.2414 7900.0 491.2648 4200.0 502.2649 8600.0 514.3018 4100.0 563.3221 91000.0 564.3253 11000.0 590.3333 1800.0 597.3392 1700.0 604.3495 1600.0 615.3493 16000.0 616.3529 2000.0 661.3703 5000.0 685.4476 2500.0 703.4147 1200.0 710.3903 19000.0 711.3935 3500.0 744.4052 1200.0 762.4178 20000.0 763.4207 3300.0 774.4527 2400.0 793.4273 19000.0 794.4297 4100.0 811.4366 1400.0 864.5006 2300.0 875.5023 9500.0 876.5036 2800.0 892.496 15000.0 893.4991 2400.0 963.5338 3800.0 964.535 1200.0 1000.5908 1200.0 END IONS BEGIN IONS SCANS=469 PEPMASS=1064.7217 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1500.0 227.1754 1600.0 243.1336 2400.0 352.2484 1200.0 356.2173 2700.0 374.2282 2900.0 465.3308 2500.0 469.3014 4900.0 483.3423 2600.0 487.3126 1800.0 560.4062 1300.0 578.415 3800.0 582.3846 3700.0 596.4257 7200.0 600.3962 3600.0 673.4915 1100.0 691.4998 2300.0 695.4706 1400.0 709.5106 5400.0 713.4798 31000.0 714.4836 3700.0 725.4691 3000.0 793.5323 1100.0 820.5416 1900.0 838.5531 7200.0 933.6276 1500.0 951.6364 7400.0 1032.6923 2300.0 1036.7269 5300.0 END IONS BEGIN IONS SCANS=470 PEPMASS=1064.7236 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 7700.0 192.1237 1000.0 199.1802 2900.0 217.119 2100.0 227.1749 8200.0 229.118 3700.0 245.1853 4900.0 340.2589 5500.0 342.2017 12000.0 358.2693 1300.0 360.2122 7000.0 366.2632 9100.0 384.2735 8200.0 409.2797 5000.0 410.264 1100.0 427.2908 2700.0 428.2749 1200.0 437.2752 7300.0 455.2857 48000.0 456.2897 3100.0 471.3533 1700.0 473.2964 8900.0 479.3471 13000.0 497.3578 22000.0 515.3687 2400.0 522.3639 5600.0 523.3477 1800.0 540.3746 4800.0 550.359 5900.0 568.3696 22000.0 574.4205 3400.0 582.4469 3200.0 586.3802 15000.0 592.431 15000.0 610.4416 40000.0 611.4457 4700.0 612.3842 4000.0 635.4488 1100.0 653.459 2000.0 679.4633 4100.0 681.4533 18000.0 682.4579 2600.0 695.5308 2000.0 699.4641 170000.0 700.4674 20000.0 705.5153 7700.0 707.4584 5200.0 723.5252 28000.0 724.528 3900.0 725.4682 13000.0 792.546 4100.0 793.5292 4600.0 802.531 2200.0 808.6143 2100.0 820.5416 12000.0 836.6091 11000.0 838.5524 15000.0 839.5557 2400.0 905.6313 6200.0 906.6115 3500.0 915.6169 1400.0 923.6426 3600.0 933.626 14000.0 934.63 2700.0 951.6362 36000.0 952.6394 6300.0 1018.7151 2900.0 1019.6978 3300.0 1036.7256 18000.0 1037.7272 3300.0 END IONS BEGIN IONS SCANS=471 PEPMASS=1064.725 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 8400.0 192.1239 1100.0 199.1803 2500.0 201.1228 1100.0 217.1194 1800.0 227.1754 9900.0 229.1179 3600.0 245.1856 6000.0 326.2431 5100.0 328.1858 5100.0 340.2592 1800.0 342.2022 5500.0 360.2122 7600.0 366.2632 2100.0 380.2791 7600.0 395.2649 4500.0 398.2899 3900.0 409.2807 1500.0 413.2752 2300.0 423.2593 5000.0 437.2751 2000.0 441.2701 33000.0 442.2738 2400.0 455.2856 14000.0 459.2803 6600.0 473.2962 3100.0 479.348 2300.0 493.3629 11000.0 497.3579 4300.0 508.3488 5900.0 511.3733 17000.0 512.3768 1800.0 522.3646 1600.0 526.3585 3700.0 536.3436 4900.0 554.3535 16000.0 568.3694 6300.0 572.3644 6700.0 586.3803 7000.0 588.436 5000.0 592.4311 4000.0 606.4467 13000.0 610.4416 10000.0 624.4573 33000.0 625.4608 3500.0 626.4006 2600.0 639.4427 1900.0 667.4375 15000.0 681.4539 3800.0 685.4485 150000.0 686.4518 18000.0 687.5043 4700.0 699.4639 36000.0 700.4676 5500.0 705.5156 10000.0 721.4739 4000.0 723.5255 23000.0 725.4673 4200.0 739.4844 10000.0 792.5465 1800.0 793.5308 3500.0 802.5317 2600.0 818.5975 2500.0 820.5418 9300.0 834.5558 3200.0 836.6083 12000.0 838.5526 11000.0 850.6263 1900.0 852.5677 4000.0 887.6207 1200.0 905.6321 6300.0 906.6179 4200.0 915.614 2200.0 933.6257 16000.0 934.6334 2600.0 949.6942 1800.0 951.6364 30000.0 952.6405 6100.0 965.6522 7300.0 966.6556 1400.0 1018.715 3500.0 1019.6989 3900.0 1036.7255 17000.0 1037.729 3800.0 END IONS BEGIN IONS SCANS=472 PEPMASS=1064.7231 CHARGE=1 COLLISION_ENERGY=0.0 83.927 2100.0 84.0446 2600.0 85.0936 2000.0 86.0949 3500.0 86.0968 48000.0 86.1202 1900.0 115.7679 1700.0 116.1127 1800.0 123.5576 1800.0 126.1434 1700.0 130.0495 3300.0 180.852 2200.0 183.1126 3200.0 185.1645 3800.0 185.8535 1900.0 199.1807 10000.0 201.1229 8100.0 213.1594 6000.0 227.1751 57000.0 229.1181 23000.0 243.1329 4000.0 245.1856 32000.0 268.2636 2400.0 281.2219 2700.0 283.1642 3600.0 283.2011 4400.0 296.1962 5500.0 297.1805 4100.0 311.1964 5300.0 326.2433 34000.0 328.1857 41000.0 340.2597 3400.0 342.2014 27000.0 344.2548 5000.0 360.2121 47000.0 380.2788 57000.0 395.2648 30000.0 396.2486 7300.0 398.2896 45000.0 399.3572 11000.0 413.2749 12000.0 414.2606 5000.0 423.2594 38000.0 437.2746 7100.0 441.2701 260000.0 442.2736 19000.0 455.2854 31000.0 457.3374 12000.0 459.2808 42000.0 475.3522 12000.0 493.3627 76000.0 494.3665 9300.0 508.3485 40000.0 511.3734 110000.0 512.377 14000.0 526.3589 30000.0 529.3836 14000.0 536.3432 43000.0 554.3535 130000.0 568.369 16000.0 572.3641 54000.0 586.3799 28000.0 588.4357 28000.0 596.4623 19000.0 606.4467 95000.0 624.457 210000.0 625.4608 25000.0 626.4003 23000.0 639.4417 16000.0 649.429 11000.0 667.438 120000.0 668.442 13000.0 685.4482 1100000.0 686.4516 140000.0 687.5038 20000.0 699.463 9800.0 705.5153 61000.0 721.4741 30000.0 723.5252 150000.0 724.5286 20000.0 737.5405 30000.0 739.4836 69000.0 754.5671 3000.0 765.5351 4400.0 774.5362 4300.0 778.4709 3200.0 792.5475 10000.0 793.5311 18000.0 802.531 18000.0 818.599 14000.0 820.5414 51000.0 834.5578 21000.0 836.6094 68000.0 838.5518 59000.0 850.625 8200.0 851.6268 3500.0 852.5682 28000.0 853.5702 5800.0 887.6177 6300.0 888.6061 2900.0 905.6306 45000.0 906.6129 21000.0 915.6151 17000.0 933.6262 77000.0 934.6302 18000.0 947.6398 17000.0 951.6359 160000.0 952.639 29000.0 959.6769 2900.0 961.6199 2800.0 965.6519 54000.0 966.6541 15000.0 1018.7153 19000.0 1019.6982 19000.0 1036.7256 120000.0 1037.7297 27000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=1067.7333 CHARGE=1 COLLISION_ENERGY=0.0 86.0946 1000.0 86.0966 11000.0 89.0599 1400.0 99.2992 1400.0 99.3005 1500.0 115.0754 1300.0 117.0908 4500.0 133.0858 1500.0 175.1323 2500.0 199.1808 4000.0 199.9458 1000.0 201.123 2300.0 209.5439 2900.0 227.1753 18000.0 229.1182 7500.0 243.133 1000.0 245.1855 9000.0 295.2375 1200.0 296.1959 1100.0 324.1912 1500.0 324.2161 11000.0 340.2591 9900.0 342.2017 21000.0 342.2263 4900.0 343.2949 2200.0 358.2689 3100.0 360.2122 9500.0 366.263 1500.0 370.1962 1400.0 409.2801 8100.0 419.2888 2300.0 427.2903 2900.0 427.3165 2100.0 437.276 14000.0 437.3001 22000.0 455.2855 86000.0 455.3108 33000.0 456.2893 6500.0 471.3534 4000.0 473.2962 21000.0 473.321 9500.0 521.2958 2400.0 522.3643 17000.0 524.3319 2500.0 532.3737 13000.0 540.3746 11000.0 540.3998 5100.0 550.3591 16000.0 550.3842 40000.0 568.3695 49000.0 568.3947 100000.0 570.3378 10000.0 586.3799 33000.0 610.443 1100.0 635.4472 2500.0 636.4296 1100.0 637.4142 4600.0 645.4581 8600.0 646.4623 1800.0 663.4679 31000.0 665.4113 15000.0 681.4531 43000.0 681.4791 72000.0 683.4218 33000.0 699.464 580000.0 700.4676 68000.0 715.4583 1100.0 716.4667 1200.0 732.4865 1800.0 733.4725 1100.0 750.5008 7200.0 751.4834 8500.0 760.4831 8200.0 778.4946 34000.0 794.5627 29000.0 796.5055 42000.0 804.5472 1400.0 806.489 1900.0 823.5057 1900.0 845.5732 6000.0 863.5837 24000.0 864.569 7600.0 873.5681 6600.0 881.5938 5500.0 891.5786 59000.0 892.5814 7800.0 907.6446 5900.0 909.5893 120000.0 910.5922 22000.0 917.6342 2100.0 919.5739 2400.0 935.6406 1700.0 976.6677 8700.0 977.6506 9400.0 986.6522 8800.0 987.6548 1700.0 994.6788 60000.0 995.6816 11000.0 1004.6631 140000.0 1005.6667 31000.0 1008.6575 2400.0 1022.6734 710000.0 1023.6768 160000.0 END IONS BEGIN IONS SCANS=474 PEPMASS=1067.7328 CHARGE=1 COLLISION_ENERGY=0.0 86.0948 10000.0 86.0965 87000.0 86.2726 9600.0 90.2792 7000.0 98.5424 8400.0 98.5436 7400.0 104.0182 6000.0 106.4532 6800.0 113.802 6900.0 124.8382 6700.0 125.7977 6000.0 138.9022 6700.0 153.94 5300.0 159.5814 5500.0 162.1018 5400.0 172.9057 6000.0 183.113 6300.0 199.1802 20000.0 201.1224 18000.0 207.2301 24000.0 227.175 110000.0 229.1181 51000.0 243.1332 9500.0 245.1858 61000.0 259.0979 7600.0 281.2218 9500.0 286.1395 7000.0 295.2376 9500.0 296.1958 7400.0 297.1801 7300.0 323.8746 6800.0 326.2429 79000.0 328.1859 92000.0 338.2319 120000.0 342.2015 64000.0 344.2535 14000.0 356.2423 67000.0 357.3099 20000.0 358.2686 15000.0 360.2123 110000.0 395.2645 64000.0 396.2491 10000.0 409.2806 18000.0 413.2744 26000.0 423.2595 89000.0 437.2747 30000.0 441.27 720000.0 442.2734 42000.0 451.316 170000.0 455.2851 76000.0 457.3375 19000.0 459.2805 130000.0 469.3266 290000.0 487.3365 69000.0 507.2794 19000.0 508.3488 110000.0 526.3589 87000.0 536.3434 160000.0 537.3464 21000.0 546.3891 92000.0 554.3537 380000.0 564.3997 310000.0 572.364 160000.0 582.4101 750000.0 583.4138 78000.0 586.3802 68000.0 600.4213 8900.0 621.4318 18000.0 638.3753 11000.0 639.4424 51000.0 645.4575 80000.0 649.426 47000.0 663.4678 280000.0 667.4377 490000.0 681.4788 600000.0 685.4482 4900000.0 686.4516 520000.0 697.437 290000.0 705.4794 8300.0 712.5209 12000.0 731.9953 6300.0 732.4883 10000.0 733.4718 8100.0 740.5349 7400.0 751.484 56000.0 760.4847 49000.0 778.4948 200000.0 792.5112 74000.0 794.5622 200000.0 796.5055 300000.0 808.5786 29000.0 810.5212 110000.0 811.5223 12000.0 820.5018 7700.0 845.5734 35000.0 846.5713 9000.0 863.5836 200000.0 864.5656 82000.0 873.5661 56000.0 881.5919 27000.0 891.5783 430000.0 892.5823 60000.0 905.5952 55000.0 907.6462 37000.0 909.5893 740000.0 910.5928 140000.0 923.6049 200000.0 924.6077 27000.0 976.6686 65000.0 977.6509 84000.0 986.6519 75000.0 987.652 18000.0 994.679 430000.0 995.6816 82000.0 1004.6627 1100000.0 1005.6662 240000.0 1022.6732 5900000.0 1023.6761 1200000.0 END IONS BEGIN IONS SCANS=475 PEPMASS=1067.733 CHARGE=1 COLLISION_ENERGY=0.0 441.2704 5200.0 455.2855 1200.0 465.3315 1600.0 483.3424 2700.0 508.3488 1300.0 536.3444 1200.0 554.3538 2300.0 560.4052 1200.0 564.3994 1400.0 578.4146 2400.0 582.4099 3600.0 596.4262 4800.0 671.433 29000.0 672.4369 4300.0 677.484 2800.0 685.4486 16000.0 695.4944 6000.0 699.4641 8400.0 700.4667 1700.0 792.5098 1300.0 810.521 2200.0 824.5344 1400.0 863.5826 1200.0 891.5768 1900.0 905.5917 1700.0 909.5908 2100.0 923.6041 4700.0 937.6185 1700.0 994.6768 3000.0 1004.6633 8400.0 1005.6688 2000.0 1022.6734 46000.0 1023.6769 9600.0 1032.6935 1900.0 1036.6902 6000.0 END IONS BEGIN IONS SCANS=476 PEPMASS=1068.6802 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 4600.0 201.1231 1400.0 227.1754 6600.0 229.1177 2700.0 245.186 3400.0 294.1695 2000.0 312.1798 1700.0 326.2437 3000.0 328.1865 4500.0 338.1956 1900.0 342.202 3200.0 350.232 1800.0 360.2125 4600.0 368.2419 2200.0 395.2646 2900.0 407.2537 2500.0 414.2598 1200.0 423.2597 4000.0 425.2643 3100.0 441.2702 27000.0 442.274 2400.0 451.2795 1600.0 455.2857 5300.0 459.2803 4400.0 463.316 2900.0 481.3268 4000.0 499.3374 1400.0 508.348 4000.0 520.3379 2700.0 526.359 2600.0 536.3436 5400.0 538.3474 3300.0 554.3541 11000.0 568.3698 2500.0 572.3647 5800.0 576.3988 4500.0 586.3805 2400.0 594.4104 10000.0 610.4053 2800.0 619.4066 1000.0 628.4163 4700.0 637.4163 2800.0 639.4418 1100.0 667.4379 14000.0 675.468 3900.0 685.4487 140000.0 686.4518 22000.0 693.4792 9300.0 699.4638 3700.0 700.4676 5400.0 707.4953 2200.0 708.4982 2000.0 709.4374 4800.0 709.4736 1500.0 727.4853 2500.0 750.5002 1000.0 752.4431 1900.0 776.5153 1100.0 790.4944 2500.0 806.5601 2800.0 808.506 3400.0 822.5228 1800.0 824.501 1300.0 847.5184 1200.0 865.5276 1900.0 875.5854 2500.0 879.5428 1200.0 885.5678 1500.0 903.5796 6300.0 921.5897 9500.0 922.5391 1900.0 935.6027 2700.0 936.6091 2300.0 937.5818 3200.0 950.6196 1600.0 951.6007 1500.0 955.5945 3300.0 960.6013 1500.0 978.6111 5500.0 998.6501 1500.0 1004.6255 6500.0 1016.6633 16000.0 1022.6345 6900.0 1034.6738 69000.0 1035.6766 14000.0 END IONS BEGIN IONS SCANS=477 PEPMASS=1068.7167 CHARGE=1 COLLISION_ENERGY=0.0 86.0948 1100.0 86.0967 12000.0 87.0443 1400.0 89.0599 2200.0 102.0551 1400.0 115.0755 2500.0 117.0912 5700.0 133.0861 2400.0 146.1172 3800.0 168.1066 1000.0 175.1329 3000.0 177.1118 1600.0 199.1807 3800.0 201.123 1100.0 213.1595 1500.0 227.1751 19000.0 229.1181 4500.0 233.1747 1700.0 245.1855 1900.0 259.2012 6700.0 281.2225 1400.0 298.2488 1600.0 326.2432 15000.0 328.1859 18000.0 342.2014 3400.0 342.2635 1900.0 344.2535 3700.0 352.2477 4300.0 370.2582 37000.0 371.2617 2800.0 374.2279 8600.0 384.2737 1800.0 395.2646 3500.0 413.275 3400.0 423.2593 4200.0 441.2701 120000.0 442.2736 9000.0 455.2856 7400.0 465.3315 9500.0 473.2964 17000.0 483.3422 140000.0 484.3457 11000.0 497.3578 4200.0 508.349 2800.0 526.3588 5700.0 536.3432 3300.0 554.3539 21000.0 572.3644 5100.0 578.4154 14000.0 586.3802 12000.0 596.4259 160000.0 597.4291 19000.0 610.4417 7200.0 611.4445 1000.0 649.4515 1000.0 677.4832 8500.0 681.4534 12000.0 685.4489 18000.0 695.4944 73000.0 696.4977 9500.0 699.4639 140000.0 700.4672 21000.0 709.5095 1800.0 711.4515 1100.0 764.5146 3600.0 792.5105 9300.0 810.5213 5400.0 824.537 1400.0 895.5722 1900.0 905.5955 2800.0 923.6053 11000.0 924.6082 2900.0 990.6472 1300.0 1008.6589 11000.0 1009.6597 2800.0 1010.6618 1100.0 1034.67 1800.0 1036.6879 1100.0 END IONS BEGIN IONS SCANS=478 PEPMASS=1069.7126 CHARGE=1 COLLISION_ENERGY=0.0 87.0442 1900.0 89.0598 3100.0 99.0804 1400.0 115.0755 2100.0 117.0911 9000.0 124.0804 1500.0 133.0858 3300.0 168.1065 1600.0 175.1327 5700.0 177.1121 2200.0 227.1749 2000.0 233.1747 3800.0 245.1854 1300.0 324.2162 1400.0 328.1856 1500.0 360.2122 2100.0 423.2589 1900.0 437.3004 1800.0 441.2699 11000.0 442.2734 1600.0 455.2855 1700.0 455.3104 2700.0 459.2807 1300.0 473.322 1300.0 497.3572 1400.0 508.3488 1400.0 536.3441 1900.0 550.3844 4600.0 554.3541 4800.0 568.3942 9600.0 569.399 1300.0 572.364 2200.0 596.4255 1100.0 610.4411 1700.0 631.4416 1400.0 649.4525 3300.0 667.4377 5700.0 667.4633 8200.0 683.4209 3100.0 685.4485 74000.0 686.4518 16000.0 687.4545 3100.0 701.4434 1200.0 764.4807 3100.0 778.4949 1100.0 780.547 3100.0 782.4894 3700.0 796.5037 1000.0 849.5699 2700.0 859.5566 1100.0 877.5631 8000.0 878.5679 1800.0 891.5807 1400.0 895.5743 10000.0 896.5778 3200.0 909.5903 2300.0 972.6368 1200.0 980.6629 5900.0 981.6653 1600.0 990.6473 18000.0 991.6501 5300.0 1008.6578 97000.0 1009.6609 29000.0 1010.6635 6800.0 1011.6651 2500.0 1034.6742 3300.0 END IONS BEGIN IONS SCANS=479 PEPMASS=1070.6412 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7000.0 123.4086 1000.0 166.0531 16000.0 167.8799 1000.0 199.1804 1700.0 217.2494 1800.0 227.175 4700.0 229.1177 1200.0 254.7003 1000.0 261.1257 1000.0 265.1211 1000.0 279.1365 16000.0 289.1202 1500.0 326.2433 4600.0 328.1859 5000.0 342.2021 1800.0 352.248 8300.0 370.2579 2200.0 376.1529 8000.0 394.1632 17000.0 395.1661 1300.0 395.2644 4500.0 405.2773 5100.0 423.2592 5700.0 441.27 29000.0 442.2728 2600.0 447.3212 3100.0 448.2114 1100.0 455.2852 4200.0 465.3313 13000.0 475.2215 9300.0 483.3412 7800.0 491.2892 2300.0 493.2318 13000.0 507.2498 1300.0 508.3486 4200.0 517.2933 21000.0 526.3592 5200.0 535.3034 9100.0 536.342 4600.0 554.3537 14000.0 560.4048 7300.0 566.3786 3800.0 578.4152 17000.0 588.3047 6000.0 596.4258 18000.0 602.3806 4500.0 606.3159 12000.0 620.3309 6100.0 630.3771 36000.0 631.3795 4600.0 637.3898 4300.0 655.402 14000.0 659.4728 4200.0 677.4832 13000.0 678.4858 2300.0 686.4502 5200.0 695.4937 17000.0 701.3888 25000.0 719.3993 290000.0 720.4026 32000.0 727.394 7800.0 743.4612 13000.0 745.4036 27000.0 755.3898 1200.0 760.4877 1400.0 774.4989 3300.0 792.5107 4900.0 794.4874 1200.0 799.4504 4900.0 810.5212 3700.0 824.5148 4000.0 826.4606 3900.0 840.4778 6900.0 842.5287 27000.0 844.472 8800.0 854.4569 1000.0 856.543 5300.0 858.4888 9600.0 859.4945 1100.0 875.5464 3000.0 893.5495 1500.0 905.5946 5700.0 911.5502 13000.0 912.5328 6200.0 923.6049 9300.0 939.5452 26000.0 940.5533 5100.0 953.5603 8100.0 957.5558 30000.0 958.559 5100.0 971.5713 24000.0 972.5766 4300.0 988.6313 11000.0 1006.6419 45000.0 1007.6475 8700.0 1024.6343 7400.0 1025.6208 6700.0 1042.6454 42000.0 1043.6487 10000.0 END IONS BEGIN IONS SCANS=480 PEPMASS=1070.6415 CHARGE=1 COLLISION_ENERGY=0.0 76.7672 1800.0 85.7692 1800.0 86.0965 7600.0 89.0598 1800.0 90.4813 1800.0 91.5062 3600.0 107.2848 1800.0 113.6221 1800.0 117.0907 2200.0 126.2933 1800.0 132.564 1900.0 141.8681 1800.0 152.7465 1600.0 162.8557 1700.0 166.0528 4000.0 178.656 1800.0 180.1014 4900.0 183.1122 1900.0 219.1161 4700.0 227.1745 3100.0 229.1177 5600.0 244.0994 5600.0 245.1857 9300.0 247.1103 7000.0 261.1263 37000.0 265.1211 3100.0 265.6914 1800.0 279.1364 2700.0 325.0555 1900.0 328.1867 5000.0 332.1989 5300.0 332.9661 1900.0 342.2017 4400.0 352.2475 20000.0 360.1947 37000.0 360.2125 6300.0 362.1372 27000.0 370.258 7400.0 378.206 3600.0 411.2228 8700.0 414.2597 4800.0 429.2158 4700.0 441.2698 8200.0 447.2266 4000.0 447.3209 5900.0 457.2111 19000.0 459.281 14000.0 465.3319 19000.0 475.2215 160000.0 476.2245 14000.0 483.3425 22000.0 501.3525 3700.0 502.3637 2400.0 517.2939 5400.0 524.307 14000.0 542.3 15000.0 543.2836 3500.0 560.3109 17000.0 570.2953 11000.0 588.3053 63000.0 594.3563 21000.0 596.4262 31000.0 598.3694 8400.0 602.3211 4400.0 606.3156 34000.0 612.3668 36000.0 620.332 9800.0 630.3776 43000.0 637.3901 15000.0 655.403 38000.0 665.4468 6700.0 673.3937 5200.0 683.3797 6600.0 683.4318 8400.0 693.4438 5700.0 701.3896 68000.0 702.3929 11000.0 711.4537 16000.0 719.3999 600000.0 720.4033 73000.0 729.4458 35000.0 764.2429 1800.0 765.5004 8900.0 780.4769 3100.0 782.5249 2000.0 792.5117 3000.0 798.4677 2300.0 808.4517 11000.0 810.5206 9000.0 824.5386 10000.0 826.4612 26000.0 842.5291 24000.0 844.4724 36000.0 856.5441 4500.0 857.5365 2100.0 858.4875 3500.0 875.5493 7500.0 878.5837 7400.0 893.5615 10000.0 911.552 15000.0 921.5349 7800.0 923.6035 2800.0 929.563 4600.0 939.5463 39000.0 940.5504 7600.0 953.5608 7100.0 957.5566 100000.0 958.5616 15000.0 971.5736 25000.0 978.6511 8900.0 988.6315 24000.0 1006.642 140000.0 1007.6468 30000.0 1025.6224 9000.0 1034.6233 8600.0 1042.6462 72000.0 1043.6495 18000.0 END IONS BEGIN IONS SCANS=481 PEPMASS=1070.6414 CHARGE=1 COLLISION_ENERGY=0.0 75.1733 2300.0 79.6618 2800.0 86.0965 9000.0 89.06 2700.0 91.2617 2700.0 97.0313 2700.0 112.6858 2700.0 117.0907 4200.0 133.0855 2600.0 133.8125 2600.0 146.8781 2700.0 151.635 2800.0 161.935 3100.0 162.1349 3100.0 175.1324 3300.0 191.3635 3000.0 192.2042 2900.0 201.1228 4200.0 229.1177 12000.0 231.9923 2700.0 233.131 11000.0 243.7016 2800.0 245.1851 7700.0 259.0747 3100.0 261.126 66000.0 268.1653 3500.0 277.084 10000.0 278.153 4700.0 296.1958 8800.0 328.1864 9800.0 332.1996 25000.0 342.2012 5800.0 352.2473 36000.0 360.1945 120000.0 360.2112 19000.0 370.2576 9700.0 378.2051 11000.0 383.1917 10000.0 411.2229 11000.0 414.2603 3700.0 416.2207 5400.0 429.2163 16000.0 441.2698 15000.0 444.2155 8000.0 457.21 23000.0 459.2799 18000.0 475.2215 190000.0 476.2254 12000.0 481.2723 32000.0 499.2825 84000.0 500.2857 8500.0 501.3532 5400.0 517.2935 81000.0 524.3068 21000.0 542.2995 11000.0 543.284 5400.0 554.3535 14000.0 560.3103 17000.0 570.2944 27000.0 588.3052 92000.0 594.3561 26000.0 596.4252 21000.0 606.3153 12000.0 612.3663 80000.0 613.3691 11000.0 630.3772 120000.0 631.3798 16000.0 637.3917 25000.0 655.4024 48000.0 665.4484 13000.0 673.3943 8800.0 683.3785 12000.0 683.4567 5900.0 693.4207 25000.0 701.3889 110000.0 711.4352 62000.0 719.3995 730000.0 720.4029 88000.0 729.4454 150000.0 730.4496 23000.0 755.363 2800.0 760.4891 6600.0 765.4992 11000.0 767.4293 3300.0 778.5316 7800.0 798.4675 11000.0 808.4513 20000.0 826.4616 55000.0 840.4776 15000.0 842.5293 69000.0 843.5319 13000.0 844.4723 62000.0 852.5148 8000.0 858.489 19000.0 866.5303 4200.0 875.5499 13000.0 878.5847 4000.0 893.5593 13000.0 905.5941 8400.0 911.5518 25000.0 921.5345 10000.0 939.5457 89000.0 940.5521 13000.0 943.5786 9600.0 953.5607 18000.0 957.5563 150000.0 958.558 33000.0 971.5718 36000.0 978.6469 13000.0 988.6306 50000.0 1006.6423 210000.0 1007.6465 42000.0 1024.635 20000.0 1034.6188 23000.0 1042.6458 130000.0 1043.6482 22000.0 END IONS BEGIN IONS SCANS=482 PEPMASS=1070.6425 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 87.0442 4200.0 89.0598 6200.0 91.5083 1000.0 99.0805 2800.0 101.096 1400.0 115.0755 3400.0 117.0911 14000.0 131.0879 1000.0 133.0859 6500.0 157.122 1600.0 168.1066 1300.0 173.117 1100.0 175.1328 8300.0 177.112 3700.0 221.1382 1000.0 227.1749 1300.0 233.1745 4300.0 261.1264 2300.0 279.136 1000.0 291.2155 1300.0 342.2019 1900.0 352.2473 2500.0 360.1942 2600.0 360.2126 1400.0 362.1373 2800.0 394.1639 1500.0 441.2705 2400.0 455.2859 2900.0 456.2886 3700.0 459.28 2200.0 465.3316 1800.0 475.2214 14000.0 483.3405 2100.0 524.3075 1800.0 568.3948 1800.0 569.3732 1700.0 569.3988 4100.0 570.4008 2300.0 588.3047 6000.0 596.4254 4000.0 606.3168 2300.0 612.3661 3700.0 620.3326 1500.0 630.3771 4400.0 637.3925 2400.0 655.4027 3300.0 683.4856 1900.0 685.4496 2200.0 686.4529 2500.0 687.4555 2100.0 699.4653 7600.0 700.4677 19000.0 701.3895 7700.0 701.4698 21000.0 702.4731 5100.0 719.3999 66000.0 720.4025 8200.0 780.5004 1600.0 796.5698 1200.0 797.5115 1400.0 798.5115 3300.0 826.4616 2100.0 842.5289 2800.0 844.4745 3700.0 865.5893 1100.0 893.5877 2100.0 894.5891 1100.0 910.5939 2000.0 911.5502 1700.0 911.5955 5400.0 912.5961 1800.0 939.5463 5200.0 957.5564 7800.0 958.5583 1700.0 971.5726 3000.0 988.6309 3700.0 996.6857 4300.0 997.687 2000.0 1006.6436 13000.0 1007.6453 3600.0 1023.6767 4800.0 1024.6802 48000.0 1025.6827 21000.0 1042.6464 5500.0 END IONS BEGIN IONS SCANS=483 PEPMASS=1070.6422 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2500.0 87.0445 3200.0 89.06 3400.0 91.5081 1500.0 99.0808 1700.0 115.0755 4400.0 117.0912 12000.0 133.0858 5100.0 146.094 1800.0 168.1072 1600.0 175.1148 1000.0 175.1327 5400.0 177.1123 3000.0 197.1283 1100.0 221.1389 1400.0 227.1752 2500.0 229.1186 2000.0 233.1744 3800.0 245.1859 2700.0 261.126 4300.0 291.2162 1400.0 326.2438 1000.0 328.1859 2400.0 332.2004 2200.0 338.2325 1700.0 339.2365 1600.0 342.2023 2400.0 352.2479 2400.0 356.2422 1200.0 360.1948 7800.0 360.2119 3800.0 361.2162 1700.0 396.2687 1100.0 413.2752 1100.0 423.2594 1200.0 441.2702 9800.0 442.274 8400.0 443.2761 3700.0 469.3268 3300.0 470.3298 3600.0 471.3326 3200.0 475.2214 16000.0 481.2727 3000.0 499.2831 7600.0 508.3486 1400.0 509.3528 1600.0 517.2935 6400.0 524.3087 1900.0 536.3458 1700.0 537.3478 1800.0 554.3539 5200.0 555.3571 4500.0 582.4099 4800.0 583.4138 10000.0 584.4163 8100.0 588.3055 5000.0 600.441 1100.0 606.3153 1100.0 612.367 6600.0 630.3771 9000.0 631.3809 1100.0 637.3917 1400.0 682.482 8700.0 683.4849 8300.0 685.449 26000.0 686.4518 58000.0 687.4545 59000.0 688.4571 14000.0 701.389 10000.0 703.4053 2000.0 711.4355 4200.0 719.3998 57000.0 720.4033 7500.0 729.4453 11000.0 779.4999 2200.0 780.5013 2600.0 795.5674 2000.0 796.5696 3700.0 797.5106 3100.0 798.5114 4800.0 808.4513 1500.0 810.5233 1500.0 812.5276 1800.0 826.463 2900.0 842.5272 4600.0 844.472 4800.0 864.5887 1100.0 865.5888 2900.0 866.5832 1100.0 892.5827 1600.0 893.5876 6900.0 894.5883 2300.0 910.5932 6100.0 911.5493 1600.0 911.5954 13000.0 912.5985 4200.0 925.6112 3400.0 939.5457 5500.0 957.5571 13000.0 958.5598 2800.0 971.571 2400.0 988.6268 3300.0 996.6854 9600.0 997.6888 3500.0 1006.6699 16000.0 1007.677 8000.0 1023.6771 17000.0 1024.6801 120000.0 1025.6825 53000.0 1042.6448 9200.0 END IONS BEGIN IONS SCANS=484 PEPMASS=1070.6727 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 14000.0 87.0441 2800.0 89.0597 4100.0 99.0805 1600.0 115.0754 2600.0 117.0911 12000.0 133.0858 4300.0 157.1221 1100.0 168.1068 1600.0 175.1325 5800.0 177.1116 2000.0 190.1194 1300.0 199.1805 3500.0 201.1234 2600.0 227.1752 18000.0 228.1782 2600.0 229.1183 7100.0 233.1745 4500.0 245.1857 7700.0 259.2008 1900.0 281.2217 1500.0 283.1646 1100.0 296.196 1200.0 298.249 1100.0 326.243 9300.0 327.2463 2200.0 328.1861 15000.0 329.1893 2500.0 342.202 8200.0 344.2541 1800.0 352.2477 2100.0 360.2123 9400.0 370.258 9100.0 371.2621 5200.0 386.2319 13000.0 395.2647 5600.0 404.2423 7200.0 413.2754 3500.0 423.2592 10000.0 441.2701 76000.0 442.2736 20000.0 443.2764 2700.0 455.2855 8000.0 459.2804 9300.0 473.2964 5000.0 483.3421 25000.0 484.3454 24000.0 499.316 18000.0 508.3488 7800.0 517.3266 26000.0 518.329 2500.0 526.3587 6800.0 535.3365 3700.0 536.3428 7400.0 554.3537 27000.0 572.3641 13000.0 586.3795 8000.0 596.4254 20000.0 597.4294 34000.0 598.4328 11000.0 602.415 2600.0 612.3997 19000.0 630.4102 45000.0 631.4141 6200.0 632.353 3500.0 639.4422 2700.0 667.4376 23000.0 685.4483 220000.0 686.4515 35000.0 695.4941 7800.0 696.4973 14000.0 699.4648 14000.0 700.467 32000.0 701.4688 9000.0 711.4683 12000.0 727.4259 6000.0 729.4781 29000.0 745.437 15000.0 793.514 1800.0 798.501 2000.0 799.4838 4100.0 808.4845 2900.0 824.5526 2800.0 826.4944 9200.0 840.5114 3200.0 842.5622 13000.0 844.5053 11000.0 856.5781 1400.0 858.5203 5400.0 866.562 1000.0 893.5729 1400.0 894.5551 1000.0 895.5756 1600.0 911.5839 7100.0 912.566 4300.0 921.5665 2300.0 924.6072 3200.0 939.5785 15000.0 940.5815 2900.0 953.5945 3300.0 955.6484 2400.0 957.5895 28000.0 958.5932 5500.0 971.6051 10000.0 972.61 2200.0 1008.657 9200.0 1009.6608 12000.0 1024.6692 3500.0 1025.6516 4600.0 1042.6781 22000.0 1043.684 3600.0 END IONS BEGIN IONS SCANS=485 PEPMASS=1074.6465 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=486 PEPMASS=1074.6459 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=487 PEPMASS=1076.5944 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 87.0444 2100.0 89.06 3100.0 99.0809 1500.0 112.0873 1100.0 115.0756 2400.0 117.0911 8900.0 133.086 3900.0 175.1327 5300.0 177.1122 1600.0 233.1747 2700.0 716.4058 1100.0 832.4163 2000.0 850.4258 2200.0 906.4279 1300.0 927.4879 1700.0 935.5131 1200.0 945.4982 3300.0 989.5437 1200.0 1014.5936 1300.0 1017.5771 1200.0 1032.5308 2000.0 1033.5333 2400.0 1040.5732 6800.0 END IONS BEGIN IONS SCANS=488 PEPMASS=1076.5917 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 87.0444 1600.0 89.0602 2000.0 115.0755 2000.0 117.091 5800.0 133.0858 2300.0 168.1071 1200.0 173.1175 1300.0 175.1327 2900.0 177.1122 1600.0 190.12 1000.0 233.1749 2100.0 594.2576 1100.0 716.404 1400.0 734.4139 1700.0 739.3679 1400.0 793.3299 1300.0 832.4151 1800.0 850.4242 1300.0 874.3992 1600.0 892.4106 1300.0 894.3881 1000.0 917.5015 1100.0 927.4875 1700.0 935.5149 1600.0 945.4974 2800.0 963.5067 1200.0 988.5402 1300.0 989.5438 1400.0 1015.5238 1500.0 1017.5735 1400.0 1032.532 3200.0 1033.5315 3100.0 1040.5714 13000.0 1041.5776 2300.0 END IONS BEGIN IONS SCANS=489 PEPMASS=1076.594 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 89.0601 3300.0 115.0756 2400.0 117.0911 6100.0 133.0861 3000.0 175.1328 4400.0 177.1122 1000.0 190.12 1000.0 233.1747 2700.0 734.4146 1100.0 832.4153 1400.0 927.4875 1200.0 945.4981 1200.0 1014.5927 1100.0 1032.5316 1400.0 1033.532 2100.0 1040.5715 5400.0 1041.5747 1300.0 END IONS BEGIN IONS SCANS=490 PEPMASS=1076.5942 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 89.0601 3300.0 115.0756 2400.0 117.0911 6100.0 133.0861 3000.0 175.1328 4400.0 177.1122 1000.0 190.12 1000.0 233.1747 2700.0 734.4146 1100.0 832.4153 1400.0 927.4875 1200.0 945.4981 1200.0 1014.5927 1100.0 1032.5316 1400.0 1033.532 2100.0 1040.5715 5400.0 1041.5747 1300.0 END IONS BEGIN IONS SCANS=491 PEPMASS=1079.732 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2100.0 117.0907 1300.0 227.1755 3200.0 229.1181 1000.0 245.185 1500.0 326.243 1800.0 328.1865 2100.0 338.2319 2400.0 342.2015 1700.0 356.2421 1600.0 360.2125 3000.0 395.2652 1000.0 423.2597 2000.0 441.2701 16000.0 451.3163 4400.0 455.2856 2100.0 459.281 1700.0 469.3266 6700.0 487.337 1900.0 508.3484 2200.0 526.3594 1500.0 536.3435 3700.0 546.3886 2300.0 554.3544 8000.0 564.3999 6500.0 572.3655 3600.0 582.4109 17000.0 583.4146 1800.0 584.3533 1600.0 645.4589 2600.0 663.4681 6800.0 667.4377 9100.0 681.4788 12000.0 685.4485 110000.0 686.4514 12000.0 697.4373 6000.0 751.4839 1400.0 778.4948 5100.0 792.5099 1400.0 794.563 5400.0 796.5067 6700.0 810.5197 2400.0 863.5837 4700.0 873.5653 1700.0 891.5797 7800.0 892.5834 1500.0 905.5936 1300.0 909.59 16000.0 910.5929 3000.0 923.605 5300.0 976.6694 1500.0 977.6516 1700.0 986.652 1300.0 994.6772 9000.0 995.6838 1800.0 1004.6636 26000.0 1005.666 4600.0 1022.674 140000.0 1023.6776 22000.0 1042.5742 1500.0 END IONS BEGIN IONS SCANS=492 PEPMASS=1079.7329 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1000.0 117.0911 2200.0 227.1747 1800.0 233.1744 1200.0 326.2437 1800.0 328.1865 2200.0 338.232 2700.0 342.2015 1300.0 356.2418 1300.0 360.2122 1700.0 395.2648 1200.0 423.2588 2600.0 441.2701 13000.0 451.3159 4000.0 455.2858 1600.0 459.2809 3200.0 469.327 6100.0 487.3377 1100.0 508.3485 2200.0 526.3584 1500.0 536.3426 3400.0 546.389 1300.0 554.3542 9200.0 564.4003 6400.0 572.3648 3300.0 582.4106 15000.0 583.4134 1600.0 584.3547 1100.0 645.4571 1400.0 663.4682 6400.0 667.4384 7500.0 681.4792 12000.0 685.4487 92000.0 686.4517 10000.0 697.4376 4000.0 760.4863 1100.0 778.4956 3200.0 792.51 1800.0 794.5618 3300.0 796.5064 4600.0 810.521 2400.0 863.5849 4200.0 891.5799 7200.0 892.5833 1100.0 905.5965 1300.0 909.59 15000.0 910.5917 2900.0 923.6043 3600.0 986.6547 1500.0 994.6789 7200.0 995.6819 1400.0 1004.6636 21000.0 1005.6644 4300.0 1022.674 110000.0 1023.6769 21000.0 1043.5836 1000.0 END IONS BEGIN IONS SCANS=493 PEPMASS=1081.752 CHARGE=1 COLLISION_ENERGY=0.0 326.2441 1300.0 352.2483 1100.0 441.2702 9200.0 459.2808 1200.0 483.3423 2300.0 508.3491 1800.0 536.3436 2500.0 554.3541 4600.0 572.3651 1500.0 578.4159 3000.0 596.4259 6600.0 597.4293 1200.0 667.4379 5700.0 671.4325 6300.0 677.4835 1800.0 685.4487 50000.0 686.4518 6500.0 695.4945 5600.0 709.5115 1800.0 711.4521 3200.0 792.5103 1800.0 806.5266 1200.0 808.5778 3100.0 810.5201 2800.0 824.538 1200.0 877.6008 1600.0 905.5941 3400.0 923.605 8700.0 924.6079 2200.0 937.6219 2500.0 1008.6948 6000.0 1009.6965 1400.0 1018.6785 12000.0 1019.682 3200.0 1036.6893 72000.0 1037.6925 16000.0 END IONS BEGIN IONS SCANS=494 PEPMASS=1081.7506 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 END IONS BEGIN IONS SCANS=495 PEPMASS=1081.7515 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 END IONS BEGIN IONS SCANS=496 PEPMASS=1081.7508 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 END IONS BEGIN IONS SCANS=497 PEPMASS=1081.7494 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 END IONS BEGIN IONS SCANS=498 PEPMASS=1081.7493 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 END IONS BEGIN IONS SCANS=499 PEPMASS=1081.7491 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1200.0 227.175 1300.0 328.1858 1300.0 342.2014 1100.0 352.2473 1100.0 441.2703 7800.0 459.2806 1300.0 465.3316 1800.0 483.3425 2700.0 508.3486 1500.0 536.3431 1600.0 554.3534 4200.0 572.3639 1800.0 578.4158 2700.0 586.3813 1300.0 596.4256 9000.0 667.4367 5300.0 671.4329 1500.0 677.4826 2500.0 685.4482 62000.0 686.4509 7900.0 695.4943 6400.0 711.4561 2000.0 723.5267 1200.0 792.5094 1100.0 808.5771 2500.0 810.5216 2500.0 877.5986 1800.0 905.5946 3900.0 923.6052 8800.0 924.6058 1100.0 937.621 2600.0 1008.6933 4500.0 1018.6791 13000.0 1019.681 3100.0 1036.689 66000.0 1037.692 15000.0 1046.7091 1200.0 END IONS BEGIN IONS SCANS=500 PEPMASS=1081.7513 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1200.0 227.175 1300.0 328.1858 1300.0 342.2014 1100.0 352.2473 1100.0 441.2703 7800.0 459.2806 1300.0 465.3316 1800.0 483.3425 2700.0 508.3486 1500.0 536.3431 1600.0 554.3534 4200.0 572.3639 1800.0 578.4158 2700.0 586.3813 1300.0 596.4256 9000.0 667.4367 5300.0 671.4329 1500.0 677.4826 2500.0 685.4482 62000.0 686.4509 7900.0 695.4943 6400.0 711.4561 2000.0 723.5267 1200.0 792.5094 1100.0 808.5771 2500.0 810.5216 2500.0 877.5986 1800.0 905.5946 3900.0 923.6052 8800.0 924.6058 1100.0 937.621 2600.0 1008.6933 4500.0 1018.6791 13000.0 1019.681 3100.0 1036.689 66000.0 1037.692 15000.0 1046.7091 1200.0 END IONS BEGIN IONS SCANS=501 PEPMASS=1082.5673 CHARGE=1 COLLISION_ENERGY=0.0 217.1331 2000.0 245.1282 3100.0 263.1385 2800.0 337.223 3900.0 360.1904 2300.0 365.2179 13000.0 399.2021 1900.0 422.2387 1700.0 479.2639 1200.0 507.2601 2000.0 576.313 90000.0 577.3168 8700.0 604.3128 2700.0 609.3385 4900.0 661.3335 3000.0 723.3802 3100.0 820.434 46000.0 821.4371 7700.0 871.47 12000.0 872.4747 2600.0 983.4973 3600.0 END IONS BEGIN IONS SCANS=502 PEPMASS=1082.5663 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1100.0 217.133 1600.0 245.1281 3000.0 263.1379 1600.0 337.2224 3400.0 360.1913 2500.0 365.2177 11000.0 399.2023 2200.0 422.2391 1900.0 479.2634 1100.0 507.2599 1300.0 576.3132 86000.0 577.3159 7900.0 604.3098 2100.0 609.3394 5600.0 661.333 3300.0 723.3817 2400.0 820.4341 44000.0 821.4369 7300.0 871.4703 12000.0 872.4716 2200.0 983.4977 3000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=1082.566 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1100.0 217.133 1600.0 245.1281 3000.0 263.1379 1600.0 337.2224 3400.0 360.1913 2500.0 365.2177 11000.0 399.2023 2200.0 422.2391 1900.0 479.2634 1100.0 507.2599 1300.0 576.3132 86000.0 577.3159 7900.0 604.3098 2100.0 609.3394 5600.0 661.333 3300.0 723.3817 2400.0 820.4341 44000.0 821.4369 7300.0 871.4703 12000.0 872.4716 2200.0 983.4977 3000.0 END IONS BEGIN IONS SCANS=504 PEPMASS=1082.5659 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1700.0 337.2234 1700.0 365.218 4100.0 474.2357 1500.0 576.3132 6500.0 609.3382 7000.0 610.3426 1300.0 675.3829 1900.0 718.3553 5700.0 772.4012 2100.0 820.4341 4000.0 838.4448 5400.0 871.4723 1200.0 919.5038 1100.0 1037.5421 1200.0 1054.5714 7000.0 1055.5741 1100.0 END IONS BEGIN IONS SCANS=505 PEPMASS=1082.5657 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1700.0 337.2234 1700.0 365.218 4100.0 474.2357 1500.0 576.3132 6500.0 609.3382 7000.0 610.3426 1300.0 675.3829 1900.0 718.3553 5700.0 772.4012 2100.0 820.4341 4000.0 838.4448 5400.0 871.4723 1200.0 919.5038 1100.0 1037.5421 1200.0 1054.5714 7000.0 1055.5741 1100.0 END IONS BEGIN IONS SCANS=506 PEPMASS=1082.5667 CHARGE=1 COLLISION_ENERGY=0.0 183.149 1400.0 212.1024 2700.0 245.1282 2800.0 252.1339 1000.0 283.1765 1100.0 311.1706 8700.0 337.2227 13000.0 365.2178 36000.0 366.2215 2500.0 399.2017 3700.0 408.1906 1300.0 422.239 1300.0 446.2385 4100.0 462.2704 1600.0 467.2653 1500.0 474.234 15000.0 475.2377 1200.0 479.2973 2000.0 512.2863 2400.0 521.3084 2300.0 528.2817 1700.0 559.2875 3600.0 571.287 4900.0 576.313 16000.0 581.3436 8000.0 588.3135 3200.0 593.3393 6300.0 609.3385 70000.0 610.3408 7300.0 627.3491 1000.0 630.3606 3100.0 647.388 3000.0 658.3546 9300.0 675.3814 23000.0 676.3834 2400.0 684.3705 6900.0 690.3602 6800.0 692.4089 2300.0 701.3281 9500.0 718.3544 48000.0 719.3578 7200.0 727.3801 2100.0 741.3922 1600.0 744.4072 2300.0 772.4017 14000.0 773.404 2100.0 775.4114 1400.0 777.4273 1200.0 810.4498 6300.0 820.4338 7500.0 821.4169 9300.0 822.4536 2900.0 838.4445 41000.0 839.4472 7600.0 855.4038 1600.0 871.4714 5300.0 872.4297 8000.0 891.5069 2200.0 902.4767 5500.0 919.5023 7600.0 928.4902 3300.0 935.4984 2600.0 940.4924 3600.0 968.4872 1800.0 969.4801 2000.0 983.4974 4100.0 985.5148 5800.0 1037.5442 7800.0 1038.5481 2500.0 1047.5315 2500.0 1054.5706 71000.0 1055.5746 16000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=1090.6089 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 1400.0 89.06 2600.0 115.0755 2100.0 117.0911 6800.0 133.0859 2400.0 175.1329 3900.0 177.1121 2300.0 190.12 1200.0 233.175 1900.0 864.4407 1100.0 959.5151 1000.0 1047.5491 2000.0 1054.5883 4400.0 END IONS BEGIN IONS SCANS=508 PEPMASS=1090.6086 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.06 2600.0 115.0756 1300.0 117.0911 4700.0 133.0858 2400.0 175.1329 2800.0 177.1123 1600.0 233.1751 1300.0 730.419 1200.0 748.4305 1300.0 906.4254 1200.0 941.5034 1700.0 959.5136 1300.0 1003.5601 1200.0 1046.5474 1600.0 1047.5492 1900.0 1054.587 3900.0 END IONS BEGIN IONS SCANS=509 PEPMASS=1090.6101 CHARGE=1 COLLISION_ENERGY=0.0 89.0602 1000.0 91.5081 1200.0 117.0911 2400.0 217.1201 1300.0 846.4308 1400.0 959.5142 1500.0 1003.5573 1200.0 1031.5917 1000.0 1046.5487 1500.0 1047.5498 1200.0 1054.5863 3000.0 END IONS BEGIN IONS SCANS=510 PEPMASS=1090.6098 CHARGE=1 COLLISION_ENERGY=0.0 91.508 1500.0 217.1201 1000.0 959.5162 1600.0 1003.5605 1300.0 1031.5917 1400.0 1046.5461 1800.0 1047.5508 2100.0 1054.5886 3700.0 END IONS BEGIN IONS SCANS=511 PEPMASS=1090.61 CHARGE=1 COLLISION_ENERGY=0.0 217.1199 1600.0 846.4318 1300.0 1028.6058 1200.0 1030.5896 1000.0 1031.5929 1100.0 1046.5472 1500.0 1047.5498 1300.0 1054.5869 4400.0 END IONS BEGIN IONS SCANS=512 PEPMASS=1092.6227 CHARGE=1 COLLISION_ENERGY=0.0 117.091 2300.0 175.1328 1000.0 958.546 1700.0 1001.6014 1300.0 1028.6245 130000.0 1029.6277 21000.0 END IONS BEGIN IONS SCANS=513 PEPMASS=1092.7296 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 7000.0 87.0445 1200.0 89.0601 1900.0 115.0756 1500.0 117.0911 3800.0 133.0859 1200.0 175.1326 2200.0 233.1741 1200.0 441.2701 1000.0 568.3944 1100.0 657.4172 1000.0 667.4372 1800.0 685.4482 6900.0 686.4507 1700.0 877.5596 1100.0 980.6616 1400.0 990.6454 2000.0 1008.6586 15000.0 1009.6635 2900.0 END IONS BEGIN IONS SCANS=514 PEPMASS=1092.7267 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 7000.0 87.0445 1200.0 89.0601 1900.0 115.0756 1500.0 117.0911 3800.0 133.0859 1200.0 175.1326 2200.0 233.1741 1200.0 441.2701 1000.0 568.3944 1100.0 657.4172 1000.0 667.4372 1800.0 685.4482 6900.0 686.4507 1700.0 877.5596 1100.0 980.6616 1400.0 990.6454 2000.0 1008.6586 15000.0 1009.6635 2900.0 END IONS BEGIN IONS SCANS=515 PEPMASS=1092.729 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1200.0 117.0912 1400.0 685.4489 3600.0 1008.6578 3400.0 1036.6895 2400.0 END IONS BEGIN IONS SCANS=516 PEPMASS=1093.5913 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 15000.0 91.5081 1900.0 120.0806 9800.0 187.5625 1000.0 221.1283 1600.0 231.1126 3700.0 233.1642 1700.0 249.1228 4700.0 254.1492 7000.0 261.1591 3500.0 272.16 4200.0 275.1753 1300.0 276.17 2300.0 290.1702 1500.0 303.17 110000.0 304.1732 4500.0 330.1805 7300.0 344.1963 42000.0 345.2 3000.0 348.1913 3300.0 353.2177 4400.0 355.1972 7000.0 362.2067 10000.0 373.2072 2500.0 389.2543 1700.0 391.2338 1300.0 419.2282 8500.0 422.2433 8900.0 426.2341 6500.0 433.2801 3800.0 443.2643 12000.0 444.2446 21000.0 450.2381 110000.0 451.2414 9700.0 454.2658 5900.0 461.2759 5500.0 472.2765 1000.0 502.2649 7100.0 507.2597 23000.0 532.3127 7700.0 533.2751 200000.0 534.2789 20000.0 543.3127 18000.0 551.2855 82000.0 552.2885 8300.0 578.332 1400.0 597.3381 2000.0 606.3276 10000.0 615.349 11000.0 632.3434 260000.0 633.3462 32000.0 644.3605 49000.0 645.3628 6800.0 650.3541 42000.0 651.3574 5400.0 672.3714 2000.0 696.4077 2800.0 703.3791 3600.0 714.4178 6600.0 721.391 20000.0 722.3942 3100.0 755.4069 1100.0 773.4182 7300.0 785.4548 3900.0 786.4172 2200.0 791.4288 82000.0 792.4316 12000.0 803.4652 1800.0 804.4293 7400.0 805.4363 1200.0 822.4409 1900.0 875.5024 1900.0 876.4474 1300.0 876.5162 1200.0 877.4476 1200.0 885.4861 1200.0 886.5016 8500.0 903.4977 20000.0 904.5127 170000.0 905.5159 27000.0 923.4866 4500.0 974.5339 8900.0 975.5366 1500.0 992.5467 1300.0 994.5184 3500.0 1022.5546 2800.0 1031.5548 1200.0 1065.5948 3600.0 END IONS BEGIN IONS SCANS=517 PEPMASS=1093.7471 CHARGE=1 COLLISION_ENERGY=0.0 85.0763 1100.0 86.0966 1600.0 227.1752 1400.0 245.1855 1000.0 326.2431 1600.0 328.1865 1300.0 342.2022 1100.0 352.2477 1600.0 360.212 1600.0 423.2596 1300.0 441.2703 10000.0 465.3317 2800.0 483.342 4500.0 508.3488 1300.0 526.3597 1000.0 536.3446 2500.0 554.3539 5100.0 560.4038 1200.0 572.3651 3200.0 578.4148 5000.0 596.426 10000.0 667.4387 5400.0 677.4835 4300.0 685.4485 67000.0 686.4513 7200.0 695.4949 8800.0 696.497 1200.0 711.4536 3400.0 790.5679 1200.0 792.5121 2800.0 808.5787 2500.0 810.5222 3800.0 824.537 1900.0 877.5979 2600.0 887.5842 1300.0 905.5942 4600.0 906.5996 1300.0 919.6134 1100.0 923.6058 10000.0 924.6086 1700.0 937.6205 1400.0 1008.6967 6200.0 1009.7001 1300.0 1018.6794 14000.0 1019.6807 3500.0 1036.6895 85000.0 1037.6932 15000.0 END IONS BEGIN IONS SCANS=518 PEPMASS=1094.7456 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1500.0 87.0444 1600.0 87.0921 2700.0 89.0601 2100.0 115.0754 1500.0 117.0912 5200.0 133.0857 2800.0 175.1329 2600.0 177.1119 1300.0 233.1745 1400.0 441.2701 4500.0 455.2855 1300.0 554.354 1900.0 578.4156 1200.0 582.41 1400.0 596.4257 3000.0 667.438 2300.0 671.4313 2300.0 685.4488 23000.0 686.4517 4800.0 695.4957 3100.0 699.4642 8400.0 700.467 1900.0 711.4523 1200.0 743.4525 1100.0 810.5203 1400.0 877.5994 1100.0 905.5928 1700.0 923.6042 4600.0 924.6066 1500.0 937.6219 1000.0 1008.6506 2300.0 1018.6794 6700.0 1019.6801 1600.0 1036.6897 39000.0 1037.693 12000.0 1038.6962 1100.0 1058.5841 1000.0 END IONS BEGIN IONS SCANS=519 PEPMASS=1095.7659 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 87.0918 4700.0 117.0908 3100.0 227.1751 2300.0 229.1177 1000.0 245.1854 1400.0 326.2428 1300.0 328.186 1600.0 338.2322 2300.0 342.2017 1400.0 356.2429 1300.0 360.2122 2100.0 423.2589 2400.0 441.2702 14000.0 451.3163 3000.0 455.2854 1500.0 459.2815 2700.0 469.3261 5300.0 487.3369 1100.0 508.3488 2000.0 526.3593 1500.0 536.3431 3700.0 546.3889 1400.0 554.3538 7100.0 564.3998 6100.0 568.3951 1600.0 572.3639 3300.0 582.4105 13000.0 583.4146 1500.0 639.4439 1400.0 645.4575 1400.0 663.4693 5600.0 667.4385 9500.0 681.4788 11000.0 685.4486 110000.0 686.4518 15000.0 697.4371 6000.0 760.4843 1600.0 778.4944 3600.0 792.5124 1400.0 794.5622 4500.0 795.5653 1200.0 796.5053 4900.0 810.5215 2200.0 863.5848 3000.0 891.5797 7800.0 892.5846 2300.0 895.5736 1200.0 905.5944 1500.0 907.6453 1200.0 909.5897 15000.0 910.5925 2900.0 923.6057 3300.0 976.668 1300.0 977.6524 1700.0 986.6514 1300.0 994.6798 7000.0 995.6826 1600.0 1004.6635 25000.0 1005.6682 5100.0 1008.6589 6000.0 1009.6628 2500.0 1022.6738 120000.0 1023.6774 31000.0 1050.7047 1500.0 END IONS BEGIN IONS SCANS=520 PEPMASS=1095.7647 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1900.0 87.0919 1500.0 117.0911 2900.0 175.1324 1300.0 227.1747 2300.0 245.1855 1100.0 326.2429 2300.0 328.1856 1900.0 338.2325 2200.0 356.2419 1000.0 360.212 2000.0 395.2652 1200.0 423.2593 2100.0 441.2701 13000.0 451.3161 2700.0 459.2812 2300.0 469.3269 5400.0 487.3369 1400.0 508.3489 2200.0 526.3598 1600.0 536.3439 3100.0 546.3891 1900.0 554.3541 7900.0 564.3994 6700.0 572.3645 4000.0 582.4103 16000.0 583.413 1800.0 584.3538 1300.0 639.4426 1200.0 645.4581 1600.0 649.4269 1100.0 663.468 5100.0 667.4381 8800.0 681.4786 14000.0 685.4485 99000.0 686.452 15000.0 697.4385 5600.0 778.4949 4400.0 779.498 1200.0 792.5107 1400.0 794.5631 4400.0 796.506 5400.0 797.5078 1200.0 810.52 1700.0 863.5828 3000.0 873.5701 1700.0 891.5782 7600.0 892.5817 1900.0 905.5945 1300.0 909.5899 13000.0 910.5931 3200.0 923.6053 4400.0 976.6692 1700.0 977.6528 1500.0 986.6497 1700.0 994.6791 7300.0 995.6852 2200.0 1004.6637 21000.0 1005.6658 5500.0 1008.6582 2000.0 1022.6738 120000.0 1023.6772 34000.0 1024.6786 2300.0 END IONS BEGIN IONS SCANS=521 PEPMASS=1095.7604 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 86.0969 1000.0 117.091 2600.0 245.186 1600.0 342.2021 1300.0 352.248 1300.0 441.2695 2000.0 455.2857 5000.0 465.3316 1500.0 473.2965 1200.0 483.3424 2700.0 568.3701 3000.0 578.4159 2700.0 586.3805 1900.0 596.4266 6900.0 681.4539 2800.0 685.449 10000.0 686.4525 5500.0 691.499 1400.0 695.4944 2300.0 699.4644 30000.0 700.4672 3400.0 709.5104 4600.0 711.4531 2000.0 713.4813 3900.0 806.5258 2100.0 822.5935 1600.0 824.5376 2200.0 891.6154 1100.0 919.611 3400.0 924.608 1300.0 937.6217 7600.0 938.622 1700.0 1018.6766 1900.0 1022.7172 2600.0 1032.6946 7000.0 1036.6892 9100.0 1037.6929 9300.0 1038.6987 2600.0 1050.7061 45000.0 1051.7096 12000.0 END IONS BEGIN IONS SCANS=522 PEPMASS=1095.7676 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 227.1757 1800.0 245.1854 1300.0 342.2019 2000.0 352.2484 1000.0 441.2698 4100.0 455.2861 5100.0 465.3322 1600.0 473.2975 1100.0 479.3486 1300.0 483.3428 1200.0 497.3587 1600.0 554.3547 2000.0 568.3704 3300.0 578.4156 2500.0 586.3812 1700.0 592.4317 1500.0 596.426 4900.0 610.4423 4100.0 667.437 2700.0 681.455 3400.0 685.4485 27000.0 686.4515 4000.0 691.4985 3500.0 699.464 36000.0 700.4679 3600.0 709.5098 6300.0 710.5148 1200.0 711.4532 1100.0 725.4698 2400.0 806.5265 2600.0 822.5915 2200.0 824.5373 5800.0 825.5393 1200.0 838.5529 1700.0 891.6176 1300.0 919.6104 4600.0 937.6205 9100.0 938.6228 1400.0 951.6382 1700.0 1005.6829 1300.0 1022.7099 6800.0 1032.6946 12000.0 1033.6991 2500.0 1036.6879 1200.0 1037.6927 1600.0 1050.7056 68000.0 1051.7083 17000.0 1064.7198 2400.0 END IONS BEGIN IONS SCANS=523 PEPMASS=1095.7671 CHARGE=1 COLLISION_ENERGY=0.0 227.1755 1500.0 328.1868 1200.0 342.2021 1000.0 360.2118 1000.0 441.2697 4700.0 455.2854 3700.0 479.3477 1200.0 483.3423 1700.0 497.3587 1900.0 536.345 1500.0 554.3558 1900.0 568.3695 2300.0 572.364 1100.0 586.3812 1500.0 592.4324 1800.0 596.4264 4400.0 610.4413 5000.0 611.4449 1000.0 667.4377 4000.0 685.4483 34000.0 686.4516 4900.0 691.499 2100.0 695.493 2000.0 699.4641 23000.0 700.4672 2400.0 709.5099 7100.0 710.5125 1200.0 711.4551 1200.0 725.4693 2000.0 806.525 2200.0 822.593 2000.0 824.5361 5000.0 838.5528 1300.0 891.6152 1700.0 919.6104 4900.0 937.6212 7600.0 938.6242 2300.0 951.6354 1500.0 1018.68 1300.0 1022.7115 5800.0 1032.6951 10000.0 1033.6979 1700.0 1036.6884 2700.0 1037.6943 2000.0 1050.705 62000.0 1051.708 14000.0 END IONS BEGIN IONS SCANS=524 PEPMASS=1095.7677 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 END IONS BEGIN IONS SCANS=525 PEPMASS=1095.7675 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 END IONS BEGIN IONS SCANS=526 PEPMASS=1095.7667 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 END IONS BEGIN IONS SCANS=527 PEPMASS=1095.7665 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 END IONS BEGIN IONS SCANS=528 PEPMASS=1095.767 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 END IONS BEGIN IONS SCANS=529 PEPMASS=1095.7643 CHARGE=1 COLLISION_ENERGY=0.0 441.2698 5000.0 497.3583 2400.0 554.3533 1900.0 572.3635 1400.0 610.4417 4000.0 667.438 3900.0 685.4484 34000.0 686.4519 5400.0 699.4622 1300.0 709.5102 4700.0 723.5241 1100.0 725.4675 1200.0 806.5255 1800.0 824.5358 1500.0 919.6116 2200.0 937.6214 4900.0 951.6375 2100.0 1018.6746 1300.0 1022.7109 2500.0 1032.694 3800.0 1046.7048 1500.0 1050.7048 25000.0 1051.708 7200.0 1064.7202 6900.0 1065.7209 1500.0 END IONS BEGIN IONS SCANS=530 PEPMASS=1099.7061 CHARGE=1 COLLISION_ENERGY=0.0 87.0441 2300.0 89.0598 3400.0 115.0755 3100.0 117.0912 9000.0 133.0857 3900.0 173.1172 1100.0 175.1329 4700.0 177.1121 2900.0 233.1745 4100.0 245.1314 1200.0 291.2158 1000.0 346.142 1300.0 352.2478 2300.0 441.2702 2900.0 459.2269 8000.0 459.2807 1400.0 465.3309 3100.0 483.3419 3200.0 544.3154 1300.0 572.3109 4300.0 578.4152 1700.0 590.3204 2400.0 596.3718 2300.0 596.4269 5300.0 598.3699 1100.0 604.3378 1200.0 614.3828 5400.0 685.3954 6100.0 695.4414 2000.0 695.494 1900.0 703.4051 65000.0 704.4084 7200.0 711.453 2300.0 713.4515 4500.0 810.4677 1500.0 810.5216 1200.0 826.5359 2400.0 828.4783 3500.0 895.5558 1800.0 923.5525 4600.0 941.5616 10000.0 942.5646 1700.0 955.5771 2900.0 1026.6504 5700.0 1027.6533 1200.0 1035.6772 3400.0 1036.6354 13000.0 1037.6381 3900.0 1044.5654 1300.0 1053.689 1400.0 1054.6462 71000.0 1055.6498 17000.0 1062.5785 2800.0 1063.5802 2800.0 1064.5775 1100.0 END IONS BEGIN IONS SCANS=531 PEPMASS=1100.5781 CHARGE=1 COLLISION_ENERGY=0.0 230.1129 3200.0 245.1282 2100.0 337.2223 3500.0 360.1919 1100.0 365.218 11000.0 399.2022 1300.0 440.2504 3200.0 507.2597 1200.0 577.2953 2900.0 594.3239 71000.0 595.3278 6100.0 604.3133 1700.0 609.3386 7900.0 627.348 1300.0 661.3348 1800.0 741.3919 2300.0 821.4183 1900.0 838.4446 38000.0 839.4478 6200.0 843.475 1500.0 871.4703 22000.0 872.4722 3100.0 968.5237 1100.0 1001.5093 2500.0 END IONS BEGIN IONS SCANS=532 PEPMASS=1100.5784 CHARGE=1 COLLISION_ENERGY=0.0 230.1129 3200.0 245.1282 2100.0 337.2223 3500.0 360.1919 1100.0 365.218 11000.0 399.2022 1300.0 440.2504 3200.0 507.2597 1200.0 577.2953 2900.0 594.3239 71000.0 595.3278 6100.0 604.3133 1700.0 609.3386 7900.0 627.348 1300.0 661.3348 1800.0 741.3919 2300.0 821.4183 1900.0 838.4446 38000.0 839.4478 6200.0 843.475 1500.0 871.4703 22000.0 872.4722 3100.0 968.5237 1100.0 1001.5093 2500.0 END IONS BEGIN IONS SCANS=533 PEPMASS=1106.7429 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 130000.0 86.0797 1100.0 86.0842 3500.0 86.0968 1600.0 91.5082 1600.0 227.1753 1500.0 229.118 1100.0 245.1859 1100.0 326.2446 1600.0 328.1868 1900.0 338.2316 2500.0 342.202 1100.0 360.213 1900.0 423.2603 1800.0 441.2701 14000.0 442.2735 1300.0 451.3162 2900.0 455.2863 1500.0 459.2812 1600.0 469.3269 5000.0 487.3381 2000.0 508.3485 2300.0 526.3603 1700.0 536.3433 3000.0 546.39 1800.0 554.3542 6400.0 564.3997 6100.0 572.3641 3600.0 582.4104 14000.0 583.4146 1900.0 586.3807 1100.0 645.4583 1500.0 663.4682 6000.0 667.4378 9200.0 681.4788 13000.0 685.4485 100000.0 686.4514 14000.0 697.4374 5000.0 751.4834 1400.0 760.4852 1000.0 778.4954 4700.0 794.5616 4300.0 796.5071 5200.0 810.5195 2100.0 863.5839 4000.0 873.5682 1900.0 891.5789 8200.0 892.5837 1900.0 909.5895 16000.0 910.5933 2800.0 923.6053 3000.0 976.6675 1700.0 977.6517 2200.0 986.6479 2300.0 994.6791 8300.0 995.6789 2500.0 1004.6635 23000.0 1005.6669 6200.0 1022.6738 140000.0 1023.6771 31000.0 1024.6785 1100.0 END IONS BEGIN IONS SCANS=534 PEPMASS=1106.7433 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 130000.0 86.0843 3900.0 86.0969 2700.0 91.5082 2100.0 117.0911 1500.0 227.1756 1800.0 326.2447 1900.0 328.1871 2000.0 338.2319 2200.0 356.2429 1100.0 360.2123 2000.0 395.2655 1400.0 423.2592 2300.0 441.2701 15000.0 451.3162 3900.0 455.2852 1200.0 459.2815 3000.0 469.3262 5200.0 508.3497 2700.0 526.3594 1600.0 536.3429 2800.0 546.3896 1700.0 554.3538 9300.0 564.3992 6300.0 572.3648 3400.0 582.4104 15000.0 583.4146 2300.0 584.3539 1300.0 645.4582 1400.0 663.4684 5500.0 667.4387 7600.0 681.4789 14000.0 685.4487 110000.0 686.4519 14000.0 697.4371 5700.0 751.4842 1400.0 760.4853 1500.0 776.552 1100.0 778.4955 3800.0 794.5635 3600.0 796.5058 5900.0 810.5228 2900.0 863.5862 3500.0 864.5648 1000.0 873.5702 2200.0 891.5803 9600.0 892.5812 1600.0 905.5912 1100.0 907.6453 1000.0 909.5901 16000.0 910.592 2900.0 923.6057 4800.0 977.653 1900.0 994.6797 11000.0 995.6812 1200.0 1004.6638 26000.0 1005.667 6700.0 1022.674 140000.0 1023.6771 32000.0 1024.6798 1100.0 END IONS BEGIN IONS SCANS=535 PEPMASS=1106.7448 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 12000.0 117.0911 2600.0 441.2702 1800.0 582.4102 1900.0 667.4371 2600.0 681.4775 2500.0 685.4485 17000.0 686.4516 2000.0 796.5038 1000.0 863.5797 1000.0 891.5766 1200.0 909.5889 2300.0 1004.6634 3600.0 1018.6743 1500.0 1019.681 1100.0 1022.6743 26000.0 1023.6785 5600.0 END IONS BEGIN IONS SCANS=536 PEPMASS=1106.7441 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 12000.0 117.0911 2600.0 441.2702 1800.0 582.4102 1900.0 667.4371 2600.0 681.4775 2500.0 685.4485 17000.0 686.4516 2000.0 796.5038 1000.0 863.5797 1000.0 891.5766 1200.0 909.5889 2300.0 1004.6634 3600.0 1018.6743 1500.0 1019.681 1100.0 1022.6743 26000.0 1023.6785 5600.0 END IONS BEGIN IONS SCANS=537 PEPMASS=1106.7436 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 END IONS BEGIN IONS SCANS=538 PEPMASS=1106.7435 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 END IONS BEGIN IONS SCANS=539 PEPMASS=1106.7466 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 END IONS BEGIN IONS SCANS=540 PEPMASS=1106.7433 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 END IONS BEGIN IONS SCANS=541 PEPMASS=1106.7435 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 6500.0 91.5082 1100.0 117.0913 1100.0 441.2705 1400.0 554.3551 1100.0 671.4328 2300.0 681.4797 1000.0 685.4486 9900.0 686.4518 1400.0 699.4653 1400.0 891.5803 1200.0 909.5901 2100.0 1004.662 3100.0 1022.6744 17000.0 1023.6771 3800.0 1050.7048 1800.0 1074.5975 1400.0 END IONS BEGIN IONS SCANS=542 PEPMASS=1106.7434 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 6500.0 91.5082 1100.0 117.0913 1100.0 441.2705 1400.0 554.3551 1100.0 671.4328 2300.0 681.4797 1000.0 685.4486 9900.0 686.4518 1400.0 699.4653 1400.0 891.5803 1200.0 909.5901 2100.0 1004.662 3100.0 1022.6744 17000.0 1023.6771 3800.0 1050.7048 1800.0 1074.5975 1400.0 END IONS BEGIN IONS SCANS=543 PEPMASS=1108.7605 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 2000.0 87.0921 7000.0 117.0911 1500.0 441.27 1200.0 455.2866 2300.0 483.3417 1400.0 568.37 1600.0 578.415 1400.0 596.4266 2800.0 671.4318 2600.0 685.4483 5800.0 686.453 1100.0 691.4984 1200.0 699.4648 14000.0 700.4673 3600.0 709.5084 2000.0 711.4532 1100.0 824.5341 1400.0 919.6108 1100.0 937.6216 4100.0 938.6216 1300.0 1004.66 1500.0 1022.6725 5800.0 1023.6729 2300.0 1032.6949 3700.0 1033.6952 1700.0 1036.6906 3100.0 1050.7051 17000.0 1051.7084 7400.0 1052.7113 1000.0 1072.603 1100.0 END IONS BEGIN IONS SCANS=544 PEPMASS=1108.7591 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 4800.0 87.0921 4100.0 441.2699 1600.0 455.286 1300.0 465.3323 1000.0 483.3418 1200.0 568.3706 2100.0 578.4156 1600.0 586.3799 1200.0 596.4265 3500.0 671.4327 4200.0 685.4489 5900.0 686.4519 5500.0 687.4543 1900.0 695.4938 5300.0 699.4642 21000.0 700.4682 3400.0 824.5366 3000.0 919.6101 1100.0 923.6014 1200.0 937.6213 2700.0 1004.6619 1200.0 1005.6649 1900.0 1022.6705 7900.0 1023.6767 11000.0 1024.6804 9400.0 1032.6899 2300.0 1050.7058 27000.0 1051.709 8300.0 1058.5856 1000.0 END IONS BEGIN IONS SCANS=545 PEPMASS=1108.7608 CHARGE=1 COLLISION_ENERGY=0.0 366.2629 1100.0 441.2701 4800.0 479.346 1200.0 497.3584 2400.0 554.3531 3200.0 592.4304 1600.0 610.4409 5000.0 667.4379 3300.0 685.4485 34000.0 686.4527 7000.0 709.5105 4300.0 725.4687 1500.0 822.5903 1100.0 824.5366 1200.0 891.6139 1400.0 919.6091 1900.0 937.6212 4400.0 938.6246 1100.0 951.6335 1300.0 1018.6756 1400.0 1022.7156 2400.0 1032.6936 4800.0 1033.6943 1900.0 1036.6847 2000.0 1050.7053 32000.0 1051.7084 10000.0 END IONS BEGIN IONS SCANS=546 PEPMASS=1109.7441 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 9500.0 86.0843 3700.0 86.0968 4800.0 87.092 350000.0 88.0953 12000.0 91.506 2000.0 117.0911 3200.0 133.086 1800.0 173.6578 1400.0 175.1329 2600.0 201.1233 1200.0 227.1751 5300.0 229.1185 2300.0 245.1855 3600.0 326.2431 4000.0 328.1856 3900.0 338.2327 4700.0 342.2019 4100.0 356.2423 2800.0 360.2124 4600.0 395.2651 2400.0 413.2752 1400.0 423.2592 4800.0 441.2701 31000.0 442.2738 4000.0 451.3159 7900.0 455.2857 3000.0 459.2808 5900.0 469.3265 12000.0 470.3303 1900.0 487.3366 2900.0 508.3489 4900.0 526.3593 3200.0 536.3436 8500.0 546.389 4300.0 554.3535 14000.0 555.357 2900.0 564.3996 13000.0 572.3644 7500.0 582.4103 32000.0 583.4131 4900.0 639.4426 1300.0 645.4572 4000.0 649.428 2500.0 663.4683 15000.0 667.4379 20000.0 681.4788 27000.0 685.4483 220000.0 686.4514 46000.0 697.4366 12000.0 751.483 3000.0 778.4958 9300.0 779.498 2400.0 792.5112 3100.0 794.5636 8800.0 796.5064 11000.0 810.5196 5100.0 811.5233 1100.0 845.574 2200.0 863.584 11000.0 864.5737 2200.0 873.5686 2400.0 881.5937 1300.0 891.5795 17000.0 892.5825 5300.0 905.5958 3200.0 909.5895 35000.0 910.5928 8500.0 911.594 2400.0 923.6052 7200.0 924.6092 2800.0 976.665 3200.0 977.6533 2300.0 986.6515 3400.0 994.6783 18000.0 995.6826 5800.0 996.6856 1600.0 1004.663 51000.0 1005.667 16000.0 1022.6735 280000.0 1023.6769 92000.0 1024.6799 15000.0 1025.6838 6800.0 END IONS BEGIN IONS SCANS=547 PEPMASS=1109.7423 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 11000.0 86.0797 1800.0 86.0842 4700.0 86.0967 7400.0 87.092 320000.0 88.0953 8900.0 117.091 1500.0 199.1804 1500.0 207.2305 1100.0 227.1753 6000.0 229.1177 2500.0 245.1858 3300.0 326.2434 4600.0 328.1856 4900.0 338.2314 5700.0 342.2017 3600.0 356.2425 3300.0 357.3106 1200.0 360.2126 5500.0 395.2643 2800.0 413.2746 1000.0 423.2597 5100.0 433.3063 1100.0 437.2758 1100.0 441.2701 34000.0 442.2731 3200.0 451.3159 8500.0 455.2857 3600.0 459.2799 6300.0 469.3265 14000.0 470.3305 2000.0 487.3373 3200.0 508.3487 5600.0 509.3343 1200.0 526.3589 4500.0 536.3437 7600.0 536.4058 1100.0 546.3893 4700.0 554.3541 19000.0 564.3997 16000.0 572.3642 7800.0 582.4104 33000.0 583.4134 5800.0 586.3799 3800.0 621.4333 1200.0 639.4441 1500.0 645.4576 5200.0 649.4277 3500.0 663.4681 14000.0 667.4381 22000.0 681.4785 31000.0 685.4483 250000.0 686.4517 42000.0 697.437 12000.0 760.4856 2200.0 778.4956 9400.0 792.5124 3000.0 794.5624 11000.0 796.5061 12000.0 797.5072 2800.0 810.5195 5600.0 845.5739 1500.0 863.5845 8400.0 864.5646 3900.0 873.5682 3000.0 881.5973 1000.0 891.5789 24000.0 892.582 4900.0 905.5923 2500.0 909.5895 35000.0 910.5927 9500.0 911.5977 2600.0 923.6044 10000.0 924.6074 2500.0 976.6675 3000.0 977.6509 4300.0 986.6516 4400.0 994.6779 20000.0 995.6813 5500.0 996.6837 1200.0 1004.6629 56000.0 1005.6656 16000.0 1022.6735 290000.0 1023.6766 84000.0 1024.6799 18000.0 1025.6807 6600.0 END IONS BEGIN IONS SCANS=548 PEPMASS=1109.7422 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1600.0 86.0968 1000.0 87.092 12000.0 117.0912 1900.0 227.1756 1400.0 328.1867 1300.0 360.2126 1000.0 441.2704 7300.0 455.286 1700.0 483.3427 2700.0 536.3438 2300.0 554.354 4300.0 572.3654 1500.0 578.4155 1900.0 582.4095 4300.0 596.4261 5600.0 671.4334 28000.0 672.4361 4700.0 685.4485 23000.0 686.4521 4000.0 695.4952 4400.0 699.4639 7000.0 700.467 3800.0 792.512 2200.0 794.5607 1900.0 796.5059 1600.0 810.5235 2100.0 824.5389 1200.0 863.5828 1400.0 891.5816 2800.0 909.5914 4500.0 923.6057 4800.0 924.6069 1400.0 937.6178 1300.0 994.6794 3500.0 1004.6641 9100.0 1005.6676 3100.0 1022.6744 54000.0 1023.677 16000.0 1024.6783 2000.0 1036.6884 5500.0 1050.7065 7200.0 1051.709 6100.0 1052.709 1900.0 END IONS BEGIN IONS SCANS=549 PEPMASS=1109.7795 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 87.0918 1300.0 227.1748 1900.0 326.2433 1000.0 328.1858 1300.0 360.2116 1200.0 370.2578 1000.0 441.2704 8300.0 459.2805 1700.0 465.3318 2300.0 483.3424 3400.0 501.3531 1100.0 536.3433 1800.0 554.3544 5500.0 560.4052 1500.0 572.3644 2200.0 578.416 4400.0 596.4261 10000.0 597.4299 1700.0 649.4263 1000.0 667.4377 6500.0 677.4844 4300.0 685.4485 68000.0 686.4516 12000.0 695.494 9100.0 696.497 1300.0 711.4531 2900.0 792.5094 3100.0 808.5789 2800.0 810.5222 2400.0 824.5369 1300.0 877.5995 1700.0 905.5953 4800.0 906.5974 1400.0 923.6054 9400.0 924.6082 2300.0 937.6208 2300.0 990.6828 1000.0 991.6711 1400.0 1008.6951 6600.0 1018.6788 17000.0 1019.6816 5000.0 1036.6895 86000.0 1037.6927 23000.0 1038.6926 2600.0 END IONS BEGIN IONS SCANS=550 PEPMASS=1109.7794 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1700.0 441.2702 4600.0 469.3025 1000.0 479.3474 1200.0 483.342 1000.0 497.3575 1900.0 554.3549 2300.0 555.3578 1300.0 578.415 1300.0 592.4304 1300.0 596.4258 2900.0 610.4414 3800.0 611.4446 2000.0 667.4384 3200.0 668.4396 1300.0 685.4485 33000.0 686.4518 16000.0 687.4557 2200.0 691.4975 1800.0 709.5106 6400.0 710.5115 1700.0 713.4796 13000.0 714.4817 1500.0 725.4686 3200.0 726.4721 1200.0 806.5252 1600.0 822.5931 1400.0 824.5377 1200.0 838.5529 3000.0 891.6132 1000.0 919.611 2300.0 920.6126 1300.0 933.6224 1200.0 937.62 4100.0 938.6235 3200.0 951.6363 4300.0 952.6382 1200.0 1022.7077 1900.0 1023.7114 1700.0 1032.6962 5800.0 1033.6989 4200.0 1034.6971 1600.0 1036.6866 1700.0 1050.7052 26000.0 1051.7083 22000.0 1052.7111 6300.0 1064.7211 14000.0 1065.7238 3700.0 END IONS BEGIN IONS SCANS=551 PEPMASS=1109.7813 CHARGE=1 COLLISION_ENERGY=0.0 441.27 4000.0 465.3309 1200.0 483.3431 1800.0 554.3545 2000.0 578.4164 2800.0 596.4255 4600.0 667.4374 2300.0 677.4833 1100.0 685.4485 24000.0 686.452 5300.0 695.4958 3500.0 709.5093 2200.0 711.4508 1000.0 713.4797 9300.0 725.4671 1200.0 810.5208 1200.0 838.5519 1800.0 905.5956 2000.0 923.6052 4600.0 937.6219 1000.0 951.6396 2100.0 1008.6921 1700.0 1018.6775 4900.0 1019.6788 1500.0 1032.6907 1600.0 1036.6884 23000.0 1037.6899 5700.0 1050.7057 3800.0 1051.7087 2900.0 1064.7208 12000.0 1065.7245 2600.0 END IONS BEGIN IONS SCANS=552 PEPMASS=1109.7828 CHARGE=1 COLLISION_ENERGY=0.0 374.2284 1700.0 455.2861 3400.0 469.3014 1200.0 473.296 1900.0 479.348 1700.0 497.3574 3200.0 568.3693 3000.0 586.3791 2100.0 592.4303 2000.0 600.3957 1200.0 610.4417 5800.0 667.4359 1800.0 681.4543 2000.0 685.4489 3700.0 691.4993 1600.0 699.4643 40000.0 700.4678 5400.0 709.5107 5900.0 723.5259 1000.0 739.4847 2900.0 838.5524 5200.0 852.5681 1100.0 951.6368 5400.0 952.6359 1600.0 1022.6707 1300.0 1032.6932 2200.0 1033.698 1200.0 1036.6801 1200.0 1036.7233 3700.0 1046.7115 3900.0 1050.703 1700.0 1051.7014 1700.0 1064.7213 35000.0 1065.7244 10000.0 END IONS BEGIN IONS SCANS=553 PEPMASS=1115.6989 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1400.0 117.0912 2300.0 175.1326 1300.0 261.1266 1400.0 332.2002 1100.0 352.2482 1100.0 360.1947 6100.0 441.2704 1300.0 457.2115 1200.0 475.2211 8800.0 481.2738 1800.0 483.3436 1300.0 499.2826 3200.0 517.2935 3000.0 524.3079 1200.0 542.2994 1000.0 570.2966 2300.0 572.3653 1100.0 588.3043 3900.0 594.3588 1200.0 596.4272 3900.0 612.3664 3000.0 630.3773 5500.0 637.3917 1100.0 655.4036 1500.0 685.4486 3500.0 693.4232 1400.0 701.3889 8100.0 711.4362 3500.0 719.4 58000.0 720.4024 7700.0 729.4458 10000.0 730.4499 1300.0 765.4995 1000.0 808.4528 1200.0 826.4601 4200.0 842.5303 3300.0 844.4737 3900.0 858.4875 1100.0 911.5516 1200.0 921.538 1200.0 939.5464 7200.0 940.5493 1200.0 953.5596 1100.0 957.5565 13000.0 958.5593 2500.0 971.575 1800.0 988.6314 3800.0 1006.642 13000.0 1007.6455 3000.0 1024.6381 1400.0 1034.6193 2100.0 1042.646 9100.0 1043.65 2400.0 1052.6305 26000.0 1053.6334 6500.0 1070.641 120000.0 1071.644 32000.0 1072.6414 3200.0 END IONS BEGIN IONS SCANS=554 PEPMASS=1118.6412 CHARGE=1 COLLISION_ENERGY=0.0 739.3688 1100.0 987.5482 1500.0 1074.5789 1900.0 1075.5817 2800.0 1082.6179 3800.0 END IONS BEGIN IONS SCANS=555 PEPMASS=1118.6413 CHARGE=1 COLLISION_ENERGY=0.0 739.3688 1100.0 987.5482 1500.0 1074.5789 1900.0 1075.5817 2800.0 1082.6179 3800.0 END IONS BEGIN IONS SCANS=556 PEPMASS=1120.7595 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 64000.0 86.0842 2000.0 112.0871 2100.0 117.0913 1300.0 227.1754 1000.0 423.2601 1700.0 441.2708 6200.0 455.2863 1400.0 459.2802 1100.0 483.3421 2600.0 508.3489 1400.0 536.3439 1400.0 554.3535 3300.0 572.3657 1300.0 578.416 1900.0 596.4258 6400.0 667.4391 3300.0 677.4844 3900.0 685.4485 42000.0 686.4517 5400.0 695.4943 5400.0 699.4641 3600.0 711.4547 2400.0 792.5112 1600.0 808.5781 2500.0 810.5223 2100.0 877.6019 1200.0 905.5955 2600.0 923.6052 6400.0 924.6083 1600.0 937.6215 1100.0 991.6696 1200.0 1000.6663 1100.0 1008.6956 3900.0 1018.679 11000.0 1019.6814 2400.0 1036.6898 59000.0 1037.6929 16000.0 END IONS BEGIN IONS SCANS=557 PEPMASS=1120.7584 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 48000.0 85.0776 2900.0 85.0782 1800.0 86.0839 3600.0 86.0965 2000.0 227.1754 1000.0 328.1862 1100.0 352.2469 1300.0 360.2121 1500.0 370.2581 1000.0 423.2595 1400.0 441.2702 8600.0 459.2812 1100.0 465.3314 3000.0 483.342 3100.0 508.3495 1500.0 526.3593 1100.0 536.3438 1800.0 554.3538 4900.0 572.364 2400.0 578.4162 3400.0 596.4263 9000.0 667.4385 5200.0 677.4844 4200.0 685.4485 63000.0 686.4514 7400.0 693.4424 1500.0 695.4957 7200.0 709.5113 1200.0 711.4526 2800.0 792.5107 1900.0 808.5773 2200.0 810.5229 3300.0 824.5374 1500.0 877.5992 1600.0 905.5967 4700.0 923.6048 8600.0 924.6091 1200.0 937.6215 2300.0 1008.6966 5100.0 1009.6974 1300.0 1018.6794 12000.0 1019.6824 2900.0 1036.6897 74000.0 1037.6921 20000.0 END IONS BEGIN IONS SCANS=558 PEPMASS=1120.7607 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 48000.0 86.0843 1900.0 99.0918 2200.0 360.2123 1100.0 441.2702 5600.0 465.332 1300.0 483.3425 2900.0 501.3544 1000.0 536.3441 1500.0 554.3539 3600.0 572.3648 1500.0 578.4147 2600.0 596.4261 7400.0 597.4301 1400.0 667.4382 4900.0 677.485 2300.0 685.4486 48000.0 686.4521 6500.0 693.4423 1100.0 695.4946 6300.0 711.4521 3100.0 792.51 1400.0 808.5787 2100.0 810.5219 3300.0 824.54 1000.0 877.6018 1600.0 905.5949 4300.0 919.6108 1100.0 923.605 7500.0 924.6082 1300.0 937.6211 1500.0 991.6695 1200.0 1008.6949 4500.0 1018.679 12000.0 1019.683 2500.0 1022.6735 3400.0 1036.6898 72000.0 1037.6936 17000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=1120.7589 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 20000.0 227.1753 1200.0 441.2704 3400.0 465.3319 1000.0 483.3419 1500.0 554.3541 1500.0 572.3641 1200.0 578.4149 1700.0 596.4266 3700.0 667.4385 3400.0 677.4828 2000.0 685.4486 33000.0 686.4517 4100.0 695.4942 3100.0 711.4526 1800.0 792.5112 1300.0 810.5201 1600.0 905.5974 3000.0 923.6058 5200.0 937.6188 1000.0 1008.694 2400.0 1018.6796 7000.0 1019.6806 1700.0 1022.6757 2600.0 1036.6898 51000.0 1037.6929 10000.0 END IONS BEGIN IONS SCANS=560 PEPMASS=1120.7599 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 667.4379 3500.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=561 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 667.4379 3500.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=562 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 667.4379 3500.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=563 PEPMASS=1120.7605 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 667.4379 3500.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=564 PEPMASS=1120.7594 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 667.4379 3500.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=565 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=566 PEPMASS=1120.7595 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=567 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=568 PEPMASS=1120.759 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=569 PEPMASS=1120.7598 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 20000.0 91.508 1200.0 441.2703 2800.0 483.3417 1900.0 554.3541 2800.0 578.4152 1200.0 596.4257 3200.0 667.4375 2000.0 677.4828 1000.0 685.4484 21000.0 686.4514 3400.0 695.4937 3000.0 905.5936 1500.0 923.6053 4200.0 924.6049 1200.0 1008.6933 1800.0 1018.6779 5400.0 1019.6815 1700.0 1036.6897 28000.0 1037.6918 6800.0 END IONS BEGIN IONS SCANS=570 PEPMASS=1121.7664 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 681.4793 12000.0 685.4487 88000.0 686.4526 11000.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=571 PEPMASS=1121.7793 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 681.4793 12000.0 685.4487 88000.0 686.4526 11000.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=572 PEPMASS=1121.7774 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 681.4793 12000.0 685.4487 88000.0 686.4526 11000.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=573 PEPMASS=1122.7318 CHARGE=1 COLLISION_ENERGY=0.0 82.0654 1300.0 86.0964 3200.0 91.5061 1700.0 99.0916 13000.0 100.0869 7000.0 100.0949 1300.0 101.0709 33000.0 101.1073 24000.0 114.1024 1600.0 117.0911 2700.0 175.1322 1400.0 227.1752 3200.0 229.1178 1200.0 245.1854 1800.0 326.2428 3000.0 328.1856 3000.0 338.2315 3000.0 342.2018 1900.0 356.2428 2400.0 360.2123 3800.0 395.2642 2400.0 423.2597 3800.0 441.27 23000.0 442.274 3300.0 451.3155 5000.0 455.285 2400.0 459.2802 4500.0 469.3266 8200.0 470.3296 1400.0 487.337 3100.0 508.3485 3800.0 526.3588 3000.0 536.343 4700.0 546.389 2500.0 554.3541 11000.0 564.3997 8400.0 572.3645 5300.0 582.4105 21000.0 583.4131 4500.0 584.3517 2400.0 645.4573 2700.0 649.4277 2200.0 663.4685 8900.0 667.4375 16000.0 681.4787 19000.0 685.4485 150000.0 686.4513 37000.0 697.437 8000.0 751.4845 1800.0 778.4958 5700.0 792.5117 2400.0 794.5616 6300.0 795.5649 1900.0 796.5067 8100.0 808.578 1200.0 810.5215 3000.0 863.5836 5800.0 864.5772 1700.0 873.5687 1700.0 891.5793 12000.0 892.5812 4500.0 905.5963 1700.0 907.6462 1200.0 909.5894 22000.0 910.5931 8200.0 923.605 4600.0 924.6078 1600.0 976.6682 1900.0 977.6544 1800.0 986.6527 1900.0 994.6787 13000.0 995.681 3600.0 1004.6635 35000.0 1005.6657 13000.0 1006.6699 1900.0 1022.6736 180000.0 1023.6771 74000.0 1024.679 8900.0 END IONS BEGIN IONS SCANS=574 PEPMASS=1122.7316 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2300.0 87.0442 1600.0 99.0916 8000.0 100.0869 4800.0 100.0952 1200.0 101.0709 23000.0 101.1072 10000.0 115.0752 1600.0 117.0908 4600.0 175.1324 2200.0 177.1118 1100.0 227.1756 2700.0 229.1178 1400.0 245.1848 2100.0 326.2429 2100.0 328.1859 2800.0 338.2319 3400.0 342.2014 1600.0 356.2428 2000.0 360.2125 2300.0 395.2641 1500.0 423.26 3200.0 441.2702 19000.0 442.2738 2700.0 451.3159 4700.0 455.2852 1700.0 459.2809 3400.0 469.3264 6400.0 473.296 1100.0 487.3373 1600.0 508.3482 3500.0 526.3593 2800.0 536.3442 3600.0 546.3893 3000.0 554.3541 10000.0 564.4 8100.0 572.3641 4600.0 582.4102 19000.0 583.4133 4300.0 586.3804 2100.0 639.4431 1100.0 645.4575 1500.0 663.468 6500.0 667.4379 11000.0 681.4785 16000.0 685.4486 120000.0 686.4518 31000.0 697.4378 6800.0 751.482 1800.0 778.4955 4900.0 792.5119 1800.0 794.5616 5100.0 796.5062 6600.0 797.5089 1600.0 808.5792 1000.0 810.5206 2100.0 845.5738 1100.0 863.584 4400.0 864.5697 1400.0 873.5704 1500.0 891.5789 9200.0 892.5796 2800.0 905.5933 1100.0 909.5898 19000.0 910.5938 6000.0 923.6054 5200.0 924.6082 1500.0 976.6688 1600.0 977.6528 1800.0 986.6531 2300.0 994.679 12000.0 995.6823 4000.0 1004.6631 27000.0 1005.6669 12000.0 1006.6686 1300.0 1022.6741 140000.0 1023.6769 61000.0 1024.6794 7500.0 END IONS BEGIN IONS SCANS=575 PEPMASS=1123.7554 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 7300.0 89.0601 1800.0 101.0713 3700.0 103.0867 1500.0 115.0755 1700.0 117.0911 4900.0 133.0856 2100.0 175.1327 3400.0 177.112 1400.0 190.1195 1400.0 233.1744 1400.0 342.2019 1300.0 360.2123 1200.0 441.2695 2000.0 451.3163 1400.0 455.2861 4600.0 469.3275 2400.0 564.3995 2800.0 568.3694 1700.0 582.4113 5500.0 583.4137 1500.0 677.4834 1900.0 681.453 1900.0 685.4485 14000.0 686.4515 9400.0 695.4935 3200.0 699.4645 21000.0 700.4676 3600.0 792.5074 1200.0 810.5233 2200.0 877.5995 1000.0 905.5936 2100.0 910.5923 1900.0 923.6044 4500.0 924.6062 1400.0 995.6843 1100.0 1018.6801 3800.0 1022.674 12000.0 1023.6776 20000.0 1024.6787 3900.0 1036.6896 29000.0 1037.693 7000.0 END IONS BEGIN IONS SCANS=576 PEPMASS=1123.7587 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2700.0 86.0965 1100.0 87.0918 9900.0 89.0599 1000.0 91.5061 1700.0 101.0708 1600.0 117.0907 1800.0 175.1323 1300.0 227.1749 1700.0 326.2428 1200.0 328.1873 1100.0 360.2115 1200.0 370.2589 1100.0 441.2702 9200.0 459.2802 1900.0 465.3317 1900.0 483.342 3900.0 508.3491 1600.0 536.3448 2100.0 554.3536 4600.0 572.3647 1800.0 578.4155 3300.0 582.4108 1100.0 596.4261 8900.0 597.4279 1100.0 667.4385 5900.0 677.4845 2800.0 685.4487 61000.0 686.4514 12000.0 687.4531 2000.0 695.4944 7400.0 711.452 3700.0 712.4561 1000.0 792.5126 2900.0 808.578 2200.0 810.5211 2600.0 824.5365 1800.0 877.6005 2700.0 905.5957 5000.0 923.605 9100.0 924.6099 2500.0 937.6215 2200.0 991.6695 1000.0 1008.6948 5000.0 1018.679 13000.0 1023.6772 4900.0 1036.6896 75000.0 1037.6936 21000.0 1038.6967 4300.0 END IONS BEGIN IONS SCANS=577 PEPMASS=1123.7589 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 2000.0 86.0968 1700.0 87.0921 7400.0 91.5062 1200.0 227.1754 1300.0 328.1858 1000.0 360.2128 1200.0 423.2603 1200.0 441.2705 6600.0 459.2817 1200.0 465.3329 1800.0 483.3424 2300.0 508.3491 1500.0 536.3444 1800.0 554.3542 3600.0 572.3656 1400.0 578.4149 3200.0 596.4258 7200.0 597.4314 1000.0 667.4379 5800.0 677.4852 2300.0 685.4485 45000.0 686.4523 7900.0 695.4944 5300.0 699.4655 2600.0 711.4524 2700.0 792.5092 2300.0 808.5784 1800.0 810.5217 1900.0 824.5381 1400.0 877.5989 1200.0 905.5943 4000.0 923.6046 6600.0 924.609 1900.0 937.6187 1700.0 1008.6933 3500.0 1018.6796 10000.0 1019.6805 2700.0 1036.6896 61000.0 1037.693 17000.0 1038.6965 3600.0 1050.7075 2800.0 END IONS BEGIN IONS SCANS=578 PEPMASS=1123.8008 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 1300.0 328.1864 1000.0 360.2129 1400.0 366.2636 1300.0 441.2702 6700.0 459.2814 1000.0 479.3477 2000.0 497.3575 2500.0 508.3483 1200.0 536.3441 1600.0 554.3541 3600.0 572.3652 1000.0 592.4312 1400.0 596.4259 1500.0 610.4421 6000.0 667.439 5600.0 668.4401 1300.0 685.4486 49000.0 686.4522 7800.0 691.5001 2200.0 709.5103 6400.0 725.4681 1900.0 806.5262 2000.0 822.5928 2000.0 824.5375 2200.0 825.5406 1000.0 891.6147 1200.0 905.5943 1500.0 919.6105 2400.0 937.6213 6900.0 938.6246 2100.0 951.6354 1200.0 1018.6801 3000.0 1022.7115 3600.0 1032.6943 7300.0 1033.6932 1800.0 1036.6895 11000.0 1037.6941 2100.0 1050.7052 40000.0 1051.709 11000.0 END IONS BEGIN IONS SCANS=579 PEPMASS=1133.7543 CHARGE=1 COLLISION_ENERGY=0.0 95.0608 1000.0 111.0919 120000.0 112.0871 170000.0 112.095 5600.0 113.0905 3100.0 113.1076 2900.0 441.2707 3800.0 469.3271 1700.0 536.3428 1200.0 554.3545 1900.0 564.3995 1900.0 572.3641 1100.0 582.4097 4100.0 583.4139 1200.0 663.4687 1200.0 667.4391 2700.0 681.4789 4100.0 685.4484 30000.0 686.4521 5600.0 697.4373 2000.0 796.5051 1200.0 891.5781 2400.0 909.587 3700.0 994.6796 2200.0 1004.6627 8400.0 1005.6675 2900.0 1022.6739 34000.0 1023.6765 11000.0 1024.6798 1700.0 END IONS BEGIN IONS SCANS=580 PEPMASS=1134.7753 CHARGE=1 COLLISION_ENERGY=0.0 82.0657 1300.0 85.0764 13000.0 91.5081 1600.0 99.0919 4400.0 111.0917 1400.0 112.0871 6500.0 455.2863 2000.0 568.3684 1300.0 596.4258 2600.0 685.4486 5900.0 686.4514 1100.0 695.4935 1000.0 699.4642 12000.0 700.4666 1900.0 709.5103 1900.0 711.4525 1000.0 923.6027 1600.0 937.6208 2600.0 1018.6756 1300.0 1022.6707 1500.0 1022.7155 1100.0 1023.6709 1600.0 1032.6956 2200.0 1036.6887 7900.0 1050.705 17000.0 1051.7079 4500.0 END IONS BEGIN IONS SCANS=581 PEPMASS=1134.7748 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 35000.0 86.0841 1500.0 91.508 1700.0 441.27 4100.0 479.3476 1100.0 497.3579 1700.0 536.3439 1300.0 554.3526 2000.0 592.4308 1200.0 610.4418 3100.0 667.4383 3200.0 685.4482 26000.0 686.4515 3500.0 691.5005 1500.0 709.5112 2700.0 725.4684 1200.0 806.5248 1500.0 822.5917 1400.0 824.5359 1200.0 919.6116 2000.0 937.6212 4400.0 951.6329 1200.0 1018.6757 1200.0 1022.7082 2400.0 1032.6935 3900.0 1036.6881 2300.0 1050.7056 24000.0 1051.7087 6400.0 END IONS BEGIN IONS SCANS=582 PEPMASS=1135.7866 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=583 PEPMASS=1135.7953 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=584 PEPMASS=1135.7954 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=585 PEPMASS=1135.7964 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=586 PEPMASS=1136.7463 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 99.0916 7100.0 100.087 1800.0 101.0709 12000.0 101.1076 4800.0 112.0869 1300.0 114.1025 1400.0 227.175 1400.0 326.2431 2000.0 328.1862 1500.0 342.202 1900.0 352.2473 2900.0 360.2124 1800.0 370.2582 1400.0 423.2592 1400.0 441.2701 12000.0 442.2733 1800.0 455.2852 1400.0 459.2804 1900.0 465.3313 3000.0 483.3425 4600.0 501.3521 1200.0 508.3502 1400.0 526.3593 1400.0 536.3439 2500.0 554.3536 7000.0 560.4056 1600.0 572.3642 2800.0 578.4155 5800.0 596.4261 13000.0 597.4291 2800.0 639.4444 1500.0 667.4378 8900.0 677.4838 4600.0 685.4486 86000.0 686.4517 21000.0 695.4943 11000.0 696.4971 2700.0 711.453 3600.0 778.5327 1100.0 792.5132 3800.0 808.579 3600.0 810.5214 4500.0 811.5259 1400.0 824.537 1200.0 877.6005 3000.0 905.5952 7100.0 906.6002 2900.0 923.6055 13000.0 924.6082 4800.0 937.6222 3500.0 938.6241 1400.0 991.6706 1400.0 1008.694 8300.0 1018.6787 18000.0 1019.6823 9200.0 1036.6895 100000.0 1037.6926 48000.0 1038.6953 6400.0 END IONS BEGIN IONS SCANS=587 PEPMASS=1137.7734 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 86.0968 1300.0 87.092 8000.0 101.0712 3600.0 101.1074 1100.0 117.0911 1000.0 342.2015 1600.0 352.248 1500.0 441.2701 2900.0 455.2851 4500.0 465.3315 1600.0 483.3418 2700.0 554.3539 1400.0 568.3698 2600.0 578.4149 2600.0 586.3813 1600.0 596.4259 7200.0 597.4299 2500.0 681.4539 2200.0 685.4484 15000.0 686.4523 8500.0 687.455 2200.0 691.4997 1700.0 699.4643 26000.0 700.4665 5200.0 701.4675 1000.0 709.5095 3800.0 710.5107 1200.0 711.4532 2100.0 806.5256 2200.0 822.5923 1300.0 824.5372 2700.0 891.6124 1400.0 905.5942 1500.0 919.6097 3100.0 923.605 1800.0 924.6066 2000.0 937.6212 6400.0 938.6227 1700.0 1018.6799 2600.0 1019.6808 3000.0 1032.6946 6100.0 1036.6892 14000.0 1037.6932 19000.0 1038.6948 5500.0 1050.7053 29000.0 1051.7083 9600.0 1052.7096 1500.0 END IONS BEGIN IONS SCANS=588 PEPMASS=1137.7748 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1600.0 87.0921 14000.0 117.0912 1000.0 243.1343 1700.0 342.2023 1300.0 352.2483 1200.0 356.2181 1100.0 374.229 1400.0 427.2921 1200.0 455.2857 4200.0 465.3316 2200.0 469.3025 1100.0 473.2969 2000.0 483.3419 3300.0 540.3762 1400.0 560.4053 1200.0 568.3705 3600.0 578.4162 4300.0 586.3807 2300.0 596.4261 7400.0 597.4301 1300.0 677.4847 4500.0 681.454 2200.0 685.4489 3200.0 686.4509 2700.0 695.4944 10000.0 699.4642 56000.0 700.4674 9000.0 709.5105 1100.0 725.4687 3000.0 806.5274 2200.0 824.5367 8100.0 825.5396 1700.0 838.5543 1200.0 919.6125 2200.0 937.6205 9300.0 938.6259 2600.0 951.6374 1300.0 1018.6784 3800.0 1022.7121 5100.0 1032.6946 8800.0 1033.6962 2000.0 1036.687 2300.0 1037.694 4700.0 1050.7054 65000.0 1051.7085 18000.0 1052.7115 1400.0 END IONS BEGIN IONS SCANS=589 PEPMASS=1137.7744 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1600.0 87.0921 14000.0 117.0912 1000.0 243.1343 1700.0 342.2023 1300.0 352.2483 1200.0 356.2181 1100.0 374.229 1400.0 427.2921 1200.0 455.2857 4200.0 465.3316 2200.0 469.3025 1100.0 473.2969 2000.0 483.3419 3300.0 540.3762 1400.0 560.4053 1200.0 568.3705 3600.0 578.4162 4300.0 586.3807 2300.0 596.4261 7400.0 597.4301 1300.0 677.4847 4500.0 681.454 2200.0 685.4489 3200.0 686.4509 2700.0 695.4944 10000.0 699.4642 56000.0 700.4674 9000.0 709.5105 1100.0 725.4687 3000.0 806.5274 2200.0 824.5367 8100.0 825.5396 1700.0 838.5543 1200.0 919.6125 2200.0 937.6205 9300.0 938.6259 2600.0 951.6374 1300.0 1018.6784 3800.0 1022.7121 5100.0 1032.6946 8800.0 1033.6962 2000.0 1036.687 2300.0 1037.694 4700.0 1050.7054 65000.0 1051.7085 18000.0 1052.7115 1400.0 END IONS BEGIN IONS SCANS=590 PEPMASS=1137.7744 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1000.0 87.0921 4900.0 441.2699 5400.0 455.2858 1100.0 479.3467 1600.0 497.3574 2000.0 536.3436 1100.0 554.3547 2100.0 568.3693 1600.0 586.3814 1000.0 592.4302 1700.0 596.4254 1700.0 610.4407 4900.0 667.4387 3500.0 685.4485 35000.0 686.4517 8100.0 691.5004 2500.0 699.465 7700.0 709.51 4000.0 723.5242 1300.0 725.4677 2000.0 806.5238 1600.0 822.5917 1500.0 824.536 1400.0 838.5527 1100.0 919.6105 2700.0 937.621 6200.0 938.6216 1600.0 951.6345 1600.0 1022.7118 2700.0 1032.6943 9100.0 1033.6975 2100.0 1036.6876 1700.0 1037.6924 4500.0 1038.6986 2500.0 1050.7053 52000.0 1051.7086 11000.0 1052.7092 1300.0 1064.7217 2300.0 END IONS BEGIN IONS SCANS=591 PEPMASS=1138.7345 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 240000.0 86.0798 1900.0 86.0968 1900.0 117.0913 3000.0 128.1182 10000.0 129.1024 1900.0 130.0975 13000.0 130.1337 3800.0 131.0814 97000.0 175.1328 2000.0 227.1752 1800.0 326.2435 1000.0 328.1863 1000.0 360.2134 1000.0 437.3007 1700.0 441.27 8800.0 455.3104 2300.0 459.2809 1600.0 508.3487 1400.0 526.3586 1700.0 536.3442 2000.0 550.3843 2800.0 554.3538 4700.0 568.3949 7700.0 569.3983 2000.0 572.3656 1500.0 577.5176 1300.0 649.4524 1900.0 667.4376 4300.0 667.4636 6500.0 683.4213 2400.0 685.4484 57000.0 686.4518 9500.0 687.4552 2000.0 764.4802 1900.0 780.5479 2000.0 782.4911 2800.0 849.5677 2100.0 877.5635 4200.0 895.5739 8400.0 896.5788 1100.0 909.5908 1400.0 972.6384 1400.0 980.6628 3800.0 981.667 1100.0 990.6481 14000.0 991.6484 3300.0 1008.658 74000.0 1009.6609 24000.0 1010.6631 4800.0 1011.6672 1200.0 END IONS BEGIN IONS SCANS=592 PEPMASS=1138.7332 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 120000.0 86.0796 1300.0 89.0601 1400.0 115.0755 2000.0 117.0912 7300.0 128.1185 5200.0 130.0974 8100.0 130.1338 5000.0 131.0815 43000.0 175.1327 3400.0 233.1743 2100.0 441.2704 3400.0 455.3114 1300.0 554.3535 1700.0 568.3945 3700.0 649.4528 1400.0 667.4409 2200.0 667.4626 2600.0 683.4214 1000.0 685.4485 26000.0 686.452 4400.0 764.4786 1300.0 782.4892 1900.0 877.5641 2300.0 895.5732 4400.0 896.5764 1000.0 980.6613 1900.0 981.6684 1000.0 990.6467 5400.0 991.6499 2000.0 1008.6583 39000.0 1009.662 9400.0 1010.6646 2600.0 1063.5775 1000.0 END IONS BEGIN IONS SCANS=593 PEPMASS=1147.7706 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 3000.0 109.0761 2800.0 124.087 4300.0 125.0822 1000.0 125.1074 15000.0 126.1026 170000.0 127.106 2200.0 441.2703 6400.0 451.3153 1500.0 469.3259 2400.0 536.3442 1100.0 554.3536 3300.0 564.3992 2200.0 572.3643 1100.0 582.4099 5900.0 663.468 2000.0 667.4372 3900.0 681.4795 5600.0 685.4486 41000.0 686.4526 7600.0 697.438 2200.0 778.4944 2000.0 794.5628 1700.0 796.5041 2000.0 863.5841 1700.0 891.5792 3800.0 892.5801 1400.0 909.5904 6300.0 923.6041 1500.0 994.6794 3200.0 1004.6634 10000.0 1005.666 3100.0 1022.674 53000.0 1023.6775 13000.0 1024.679 1900.0 END IONS BEGIN IONS SCANS=594 PEPMASS=1147.7708 CHARGE=1 COLLISION_ENERGY=0.0 110.0714 1400.0 111.0919 110000.0 112.0871 170000.0 112.0949 5400.0 113.0903 2000.0 113.1073 1600.0 441.2701 3500.0 483.3422 1400.0 554.3544 2400.0 578.4141 1100.0 596.4258 3700.0 667.4383 2000.0 685.4483 25000.0 686.4515 5700.0 695.4929 3100.0 711.4543 1300.0 792.5107 1400.0 810.5205 1400.0 877.6 1300.0 905.5934 2100.0 923.6052 4200.0 924.608 1100.0 937.6204 1400.0 1008.6937 1700.0 1018.68 4800.0 1019.6815 2000.0 1036.6898 30000.0 1037.6926 10000.0 1038.6949 1600.0 END IONS BEGIN IONS SCANS=595 PEPMASS=1147.7712 CHARGE=1 COLLISION_ENERGY=0.0 110.0714 1400.0 111.0919 110000.0 112.0871 170000.0 112.0949 5400.0 113.0903 2000.0 113.1073 1600.0 441.2701 3500.0 483.3422 1400.0 554.3544 2400.0 578.4141 1100.0 596.4258 3700.0 667.4383 2000.0 685.4483 25000.0 686.4515 5700.0 695.4929 3100.0 711.4543 1300.0 792.5107 1400.0 810.5205 1400.0 877.6 1300.0 905.5934 2100.0 923.6052 4200.0 924.608 1100.0 937.6204 1400.0 1008.6937 1700.0 1018.68 4800.0 1019.6815 2000.0 1036.6898 30000.0 1037.6926 10000.0 1038.6949 1600.0 END IONS BEGIN IONS SCANS=596 PEPMASS=1149.7855 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 56000.0 111.0919 32000.0 126.1026 62000.0 127.1061 7600.0 127.123 3800.0 128.0818 7700.0 128.1182 220000.0 441.2704 5200.0 442.2729 1400.0 451.3156 1300.0 469.3264 1900.0 487.3371 1100.0 554.3537 2700.0 564.3998 1800.0 572.3645 1100.0 582.4099 4100.0 583.4145 1900.0 667.4369 3300.0 681.4796 4300.0 685.4485 33000.0 686.4523 12000.0 687.454 2800.0 697.4371 2200.0 778.4927 1400.0 794.5621 1000.0 796.5041 1600.0 863.5842 1100.0 891.5792 3100.0 892.5816 1400.0 909.59 4200.0 910.5945 2700.0 911.5942 1100.0 923.6049 1100.0 994.6803 2500.0 1004.6629 5800.0 1005.6676 4600.0 1006.6672 1900.0 1022.6739 37000.0 1023.6772 26000.0 1024.6799 12000.0 END IONS BEGIN IONS SCANS=597 PEPMASS=1149.7855 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 36000.0 91.5081 1600.0 111.0919 24000.0 126.1026 45000.0 127.1059 6800.0 127.123 3000.0 128.0817 7400.0 128.1182 150000.0 441.2703 3600.0 469.3275 1400.0 554.3537 1700.0 564.4001 1200.0 582.4107 3500.0 583.4144 1000.0 663.4669 1300.0 667.4385 1700.0 681.4796 2500.0 685.4485 22000.0 686.4514 10000.0 687.4541 3000.0 891.5783 1700.0 909.5897 3700.0 910.5934 2500.0 994.677 1600.0 995.6761 1000.0 1004.662 4400.0 1005.6671 3000.0 1006.6694 1300.0 1022.6738 26000.0 1023.6772 16000.0 1024.6803 7700.0 END IONS BEGIN IONS SCANS=598 PEPMASS=1149.8129 CHARGE=1 COLLISION_ENERGY=0.0 82.0656 1000.0 99.092 8000.0 100.0875 1400.0 111.0919 1400.0 112.0872 2500.0 114.1028 1400.0 126.1027 1700.0 128.1183 2500.0 243.1339 1300.0 352.2476 1000.0 374.2289 1800.0 455.2858 3100.0 465.3331 1900.0 473.2977 1700.0 483.3423 2600.0 540.374 1100.0 560.4066 1300.0 568.3713 4100.0 578.4165 2800.0 586.382 1900.0 596.4257 6800.0 671.4324 3000.0 677.4846 3800.0 681.4543 1600.0 685.4503 1900.0 695.4952 7000.0 699.4644 47000.0 700.4675 5100.0 709.511 1300.0 725.4698 1800.0 806.5265 1800.0 824.5375 5600.0 919.6111 2500.0 937.6214 8000.0 951.639 1000.0 1018.677 3000.0 1022.6717 2400.0 1022.7193 4000.0 1023.6735 2100.0 1032.6953 7500.0 1036.6896 1700.0 1050.7059 62000.0 1051.7084 12000.0 1052.7125 1400.0 END IONS BEGIN IONS SCANS=599 PEPMASS=1149.8115 CHARGE=1 COLLISION_ENERGY=0.0 82.0656 1600.0 99.092 6700.0 111.0917 1300.0 112.0872 3400.0 114.1027 1300.0 227.1753 1300.0 366.2631 1300.0 384.2746 1300.0 423.2603 1000.0 441.2706 6200.0 479.3474 1200.0 497.3582 3100.0 508.3481 1200.0 536.3427 1400.0 554.3543 3200.0 572.3645 1700.0 592.4311 1700.0 610.4423 7300.0 667.4388 5600.0 668.4415 1300.0 685.4488 53000.0 686.4519 7400.0 691.4977 1200.0 709.5103 8300.0 725.4697 2400.0 806.5242 1400.0 822.5934 1800.0 824.5378 3500.0 891.6153 1700.0 892.6022 1000.0 919.6116 2800.0 937.6216 7700.0 938.6225 1700.0 951.638 2100.0 1018.6798 2400.0 1022.7101 4500.0 1032.6942 8200.0 1033.6958 1400.0 1036.6859 1800.0 1037.6897 1900.0 1050.7053 51000.0 1051.7081 11000.0 END IONS BEGIN IONS SCANS=600 PEPMASS=1149.8696 CHARGE=3 COLLISION_ENERGY=0.0 211.1441 3800.0 213.0868 20000.0 214.0903 2400.0 218.1134 2700.0 230.1133 3800.0 240.1705 5400.0 252.0976 1900.0 252.1338 8100.0 268.1652 10000.0 270.1079 6600.0 270.1447 3100.0 275.102 12000.0 303.1118 1400.0 316.165 5000.0 328.1868 1400.0 331.1971 3200.0 337.1862 4900.0 345.1558 1400.0 355.197 15000.0 356.201 3200.0 358.1396 4500.0 383.1921 14000.0 388.1863 23000.0 389.19 4500.0 416.1958 2600.0 423.2233 9100.0 424.2266 1600.0 431.1959 1600.0 436.2548 2900.0 441.2132 1600.0 459.2235 23000.0 460.2263 5000.0 480.2451 18000.0 481.2485 4000.0 482.2617 4500.0 487.1821 3900.0 502.2477 3400.0 503.2486 2000.0 506.2404 2900.0 515.2648 3600.0 516.2451 22000.0 517.2482 5700.0 569.2717 2700.0 587.2821 27000.0 588.2858 10000.0 595.272 18000.0 595.3441 2200.0 596.2756 5800.0 600.2653 4000.0 601.2709 1600.0 605.2929 10000.0 606.2968 3700.0 630.2914 6400.0 631.2947 2000.0 671.3033 5600.0 672.3063 3300.0 673.3092 3100.0 687.3123 3500.0 694.3411 5300.0 698.3549 3800.0 725.3265 2600.0 726.3271 1300.0 728.3255 3000.0 741.3959 1600.0 743.3376 3100.0 744.3401 1500.0 751.3817 1100.0 761.8337 1600.0 769.3907 3000.0 781.3538 1200.0 796.854 1400.0 799.3621 6300.0 817.372 15000.0 818.3742 5800.0 838.4099 8200.0 843.4145 10000.0 844.4184 8900.0 847.4104 8100.0 856.4208 5900.0 857.4244 3200.0 869.4572 3400.0 879.4388 2400.0 897.4509 7500.0 898.4555 3100.0 910.4327 3000.0 911.4377 2100.0 938.4645 1600.0 940.4193 1700.0 940.9214 2000.0 949.4267 1900.0 981.4722 3100.0 983.4628 1400.0 990.4555 1700.0 998.9603 2600.0 999.459 1900.0 999.9614 1700.0 1003.4403 2100.0 1004.449 1100.0 1007.4406 1700.0 1022.4938 1100.0 1040.5117 2200.0 1050.4917 2600.0 1051.4928 2700.0 1068.4987 4400.0 1069.5052 2800.0 1074.4812 3700.0 1075.4869 3100.0 1109.5298 10000.0 1110.5337 6600.0 1111.5327 2000.0 1112.5416 1100.0 1125.5144 1400.0 1175.5321 2300.0 1176.5314 2500.0 1181.5471 3000.0 1199.5654 2600.0 1200.5734 2000.0 1247.4994 1100.0 1260.528 1200.0 1261.5254 1000.0 1264.5237 2700.0 1265.5227 2400.0 1266.5273 1100.0 1279.5325 1300.0 1310.6447 1200.0 1333.54 1000.0 1433.6656 1400.0 1446.63 2500.0 1447.635 2700.0 1460.6478 2300.0 1461.645 4100.0 1462.6449 3000.0 1464.6385 5000.0 1465.6403 2800.0 1482.651 1900.0 1504.1848 1300.0 1504.6874 1600.0 1514.7102 1700.0 1532.6952 1400.0 1584.7292 1300.0 1590.7058 1400.0 1592.6971 1500.0 1593.6985 1900.0 1606.6962 2200.0 1607.7117 2500.0 1608.7133 2300.0 1609.7207 1900.0 1610.7146 3100.0 1611.7075 2200.0 1663.7347 2800.0 1664.7302 2700.0 1678.7542 1700.0 1679.7513 1500.0 1681.7385 2900.0 1683.7499 1400.0 1713.8097 1200.0 1733.7749 1400.0 1744.7637 1800.0 1745.7714 1800.0 1781.7698 1300.0 1785.752 1200.0 1862.8356 1500.0 1874.8616 1800.0 1875.856 1400.0 1880.8311 2000.0 1894.8428 1600.0 1897.8521 1400.0 1978.896 2200.0 1979.8896 1800.0 1993.9141 1300.0 1994.9155 1500.0 1996.9125 3000.0 1997.9036 2800.0 2086.9446 1600.0 2150.9495 1400.0 2165.9636 1200.0 2166.9707 1400.0 2168.9717 1100.0 2248.0396 1300.0 END IONS BEGIN IONS SCANS=601 PEPMASS=1150.7683 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1500.0 99.0916 8400.0 100.0869 1600.0 101.0709 9000.0 101.1072 2400.0 227.175 2100.0 245.1854 1500.0 326.2433 2500.0 328.1859 1600.0 342.2014 1100.0 360.2119 1800.0 366.2633 3000.0 384.2735 2400.0 395.2646 1100.0 423.2589 1800.0 441.2702 13000.0 442.2743 2100.0 455.2857 1700.0 459.2815 2900.0 479.3467 2800.0 497.3576 6400.0 498.3609 1000.0 508.3494 1600.0 515.3688 1800.0 536.3433 2600.0 554.3533 6600.0 555.3586 1600.0 568.3694 1100.0 572.3649 3300.0 574.4183 1100.0 592.4307 4000.0 610.442 14000.0 611.445 4400.0 612.3845 1600.0 667.4378 10000.0 668.4401 3000.0 685.4487 93000.0 686.452 30000.0 687.4553 1500.0 691.4998 4000.0 707.4604 1300.0 709.5103 12000.0 710.5137 3900.0 723.527 1600.0 725.4688 4600.0 726.4734 1300.0 806.5259 3600.0 807.5296 1400.0 822.5944 3800.0 823.597 2200.0 824.5378 4800.0 838.5544 1500.0 891.616 3900.0 892.613 1500.0 919.6111 7000.0 920.6127 3700.0 937.6213 12000.0 938.6248 6400.0 951.6379 3300.0 952.6391 1600.0 1018.6784 2200.0 1019.6818 1500.0 1022.7099 5700.0 1023.7139 3000.0 1032.6951 15000.0 1033.6969 7600.0 1050.7054 88000.0 1051.7085 52000.0 1052.7106 6000.0 END IONS BEGIN IONS SCANS=602 PEPMASS=1151.7904 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 2500.0 441.2705 4600.0 511.3736 1700.0 554.355 2700.0 572.3637 1500.0 606.4489 2000.0 624.4576 4100.0 667.4401 2700.0 685.4488 30000.0 686.4518 5100.0 705.5142 1500.0 723.5259 3600.0 739.4818 1200.0 838.5507 2000.0 905.6295 1300.0 933.6278 3000.0 934.6246 1000.0 951.6359 4700.0 965.6484 1300.0 1036.7261 2100.0 1046.7109 6700.0 1047.7128 1600.0 1064.7212 39000.0 1065.7242 9600.0 END IONS BEGIN IONS SCANS=603 PEPMASS=1151.7909 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 2500.0 441.2705 4600.0 511.3736 1700.0 554.355 2700.0 572.3637 1500.0 606.4489 2000.0 624.4576 4100.0 667.4401 2700.0 685.4488 30000.0 686.4518 5100.0 705.5142 1500.0 723.5259 3600.0 739.4818 1200.0 838.5507 2000.0 905.6295 1300.0 933.6278 3000.0 934.6246 1000.0 951.6359 4700.0 965.6484 1300.0 1036.7261 2100.0 1046.7109 6700.0 1047.7128 1600.0 1064.7212 39000.0 1065.7242 9600.0 END IONS BEGIN IONS SCANS=604 PEPMASS=1152.7483 CHARGE=1 COLLISION_ENERGY=0.0 85.0556 1200.0 85.0764 500000.0 86.0798 3800.0 86.0968 2300.0 111.092 2600.0 128.1183 9600.0 129.1024 2500.0 130.0975 7100.0 130.1338 4000.0 131.0815 210000.0 175.1329 1100.0 227.1752 1500.0 229.1184 1100.0 245.1857 1800.0 326.244 1700.0 328.1863 1600.0 338.2329 1600.0 342.2017 1600.0 360.2125 2000.0 423.2599 1500.0 441.2703 14000.0 451.3157 2900.0 455.2852 1000.0 459.2803 2900.0 469.326 5300.0 487.3368 1100.0 508.3494 2800.0 536.3444 3000.0 546.3888 1500.0 554.3542 8000.0 564.3997 5300.0 572.3643 3000.0 582.4106 14000.0 583.4159 1500.0 586.3798 2000.0 645.4575 1700.0 663.4686 4600.0 667.438 9100.0 681.4785 11000.0 685.4486 100000.0 686.4518 15000.0 697.4373 5100.0 751.4841 1400.0 778.4951 3900.0 792.5112 1700.0 794.562 3800.0 796.5061 5100.0 797.5083 1200.0 810.5216 1300.0 845.5729 1200.0 863.584 4500.0 873.5679 1200.0 891.5786 9200.0 892.5817 1400.0 905.5921 1200.0 909.5902 15000.0 910.592 3900.0 923.6045 3400.0 976.6673 1000.0 986.6573 1300.0 994.6789 8700.0 995.6812 1900.0 1004.6632 24000.0 1005.6674 6000.0 1022.6739 150000.0 1023.6771 39000.0 1024.6796 2700.0 1025.6831 1500.0 END IONS BEGIN IONS SCANS=605 PEPMASS=1161.7851 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1600.0 91.506 1100.0 124.087 1800.0 125.1074 4900.0 126.1026 60000.0 441.2698 2600.0 483.3423 1100.0 554.3546 1600.0 596.4262 1900.0 667.4379 1800.0 685.4485 17000.0 686.4528 3000.0 695.4938 1900.0 905.5941 1900.0 923.6057 2200.0 924.6056 1000.0 1008.6943 1900.0 1018.6805 3700.0 1019.6815 1100.0 1036.6897 22000.0 1037.6935 7300.0 1038.697 1000.0 END IONS BEGIN IONS SCANS=606 PEPMASS=1161.7864 CHARGE=1 COLLISION_ENERGY=0.0 111.0919 17000.0 112.0871 34000.0 112.0952 1300.0 125.1074 1300.0 126.1026 19000.0 441.2705 1800.0 455.2856 1300.0 483.3424 1000.0 568.3696 1400.0 578.4158 1000.0 596.4261 2900.0 685.449 8300.0 686.4504 2000.0 695.4929 1400.0 699.4644 8800.0 700.4664 1800.0 711.4541 1000.0 824.5357 1100.0 923.6068 1100.0 937.6201 2900.0 1008.692 1100.0 1018.6758 1900.0 1032.6917 1900.0 1036.6904 9600.0 1037.6937 2600.0 1050.7056 13000.0 1051.7081 4200.0 END IONS BEGIN IONS SCANS=607 PEPMASS=1161.7864 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1300.0 95.0607 1100.0 111.0919 26000.0 112.0871 99000.0 112.0953 1500.0 113.1073 1000.0 126.1027 2800.0 366.2629 1100.0 441.2698 3600.0 497.3579 1700.0 554.3544 1200.0 592.4319 1000.0 610.4407 3100.0 667.437 2300.0 685.4489 22000.0 686.4509 4000.0 709.5107 3700.0 725.4689 1000.0 824.5392 2100.0 919.609 1600.0 937.6215 3400.0 1018.6758 1500.0 1022.7092 2100.0 1032.6946 3500.0 1036.6887 2500.0 1050.7062 19000.0 1051.7084 6300.0 END IONS BEGIN IONS SCANS=608 PEPMASS=1163.8022 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 23000.0 91.5063 1700.0 111.0919 25000.0 126.1026 39000.0 127.0976 2700.0 127.106 5000.0 128.0819 5200.0 128.1182 120000.0 441.2703 3200.0 483.3428 1300.0 554.3536 1800.0 572.3649 1300.0 578.4153 1300.0 596.4257 2400.0 597.4288 1400.0 667.4374 1900.0 685.4489 20000.0 686.4519 7400.0 687.4533 2400.0 695.4948 3000.0 696.4997 1400.0 810.5213 1100.0 905.5945 1500.0 923.6048 2500.0 924.6075 1800.0 1008.6953 2100.0 1018.6793 3400.0 1019.6818 2600.0 1036.6901 25000.0 1037.6925 16000.0 1038.6959 8700.0 END IONS BEGIN IONS SCANS=609 PEPMASS=1166.7641 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 81000.0 115.0755 1300.0 117.091 1500.0 128.1183 1900.0 130.0976 1800.0 130.1338 1800.0 131.0815 31000.0 455.2857 3000.0 564.401 1000.0 568.3692 1800.0 582.4108 3200.0 586.3817 1000.0 681.4528 1300.0 685.4481 1400.0 695.4942 2500.0 697.4376 1200.0 699.4641 20000.0 700.4675 2100.0 792.5092 1400.0 810.5206 1400.0 877.5981 1200.0 905.5936 1300.0 923.6063 4100.0 1008.6912 1100.0 1018.6787 5200.0 1022.6742 1200.0 1023.6754 1400.0 1036.6897 29000.0 1037.6925 8600.0 END IONS BEGIN IONS SCANS=610 PEPMASS=1166.7704 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 400000.0 86.0798 4300.0 111.0918 3100.0 128.1182 11000.0 129.1217 2100.0 130.0975 5300.0 130.1338 2000.0 131.0815 170000.0 227.1753 1800.0 326.2434 1400.0 328.1862 1100.0 342.2016 1000.0 352.2486 1900.0 360.213 1200.0 423.2594 1800.0 441.27 12000.0 442.2735 1200.0 459.2812 1900.0 465.3309 2600.0 483.3419 4300.0 501.3534 2000.0 508.3487 2000.0 536.3426 2900.0 554.3535 6300.0 560.4052 1100.0 572.3647 3100.0 578.4158 4900.0 596.426 12000.0 597.4311 2500.0 667.4382 8600.0 677.4836 5800.0 685.4484 96000.0 686.4518 15000.0 695.4939 11000.0 696.4965 2500.0 709.5094 1400.0 711.4528 4100.0 792.5109 3800.0 808.5786 3200.0 810.5212 4600.0 811.5218 1100.0 815.474 1000.0 824.5363 1700.0 877.6003 3400.0 905.5945 6900.0 906.5984 1700.0 919.6083 1200.0 923.6057 15000.0 924.6078 4100.0 937.6182 2500.0 991.671 1500.0 1008.6944 6000.0 1018.6779 21000.0 1019.6826 6500.0 1036.6895 140000.0 1037.6926 36000.0 1038.6958 4600.0 END IONS BEGIN IONS SCANS=611 PEPMASS=1166.7638 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 400000.0 86.0798 4300.0 111.0918 3100.0 128.1182 11000.0 129.1217 2100.0 130.0975 5300.0 130.1338 2000.0 131.0815 170000.0 227.1753 1800.0 326.2434 1400.0 328.1862 1100.0 342.2016 1000.0 352.2486 1900.0 360.213 1200.0 423.2594 1800.0 441.27 12000.0 442.2735 1200.0 459.2812 1900.0 465.3309 2600.0 483.3419 4300.0 501.3534 2000.0 508.3487 2000.0 536.3426 2900.0 554.3535 6300.0 560.4052 1100.0 572.3647 3100.0 578.4158 4900.0 596.426 12000.0 597.4311 2500.0 667.4382 8600.0 677.4836 5800.0 685.4484 96000.0 686.4518 15000.0 695.4939 11000.0 696.4965 2500.0 709.5094 1400.0 711.4528 4100.0 792.5109 3800.0 808.5786 3200.0 810.5212 4600.0 811.5218 1100.0 815.474 1000.0 824.5363 1700.0 877.6003 3400.0 905.5945 6900.0 906.5984 1700.0 919.6083 1200.0 923.6057 15000.0 924.6078 4100.0 937.6182 2500.0 991.671 1500.0 1008.6944 6000.0 1018.6779 21000.0 1019.6826 6500.0 1036.6895 140000.0 1037.6926 36000.0 1038.6958 4600.0 END IONS BEGIN IONS SCANS=612 PEPMASS=1166.7637 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 42000.0 128.1183 1100.0 130.0974 1400.0 131.0815 17000.0 441.2702 1500.0 596.4252 2200.0 667.4388 1000.0 685.4489 10000.0 686.4513 2200.0 695.4947 1700.0 699.4649 2200.0 711.4531 1100.0 905.5937 1200.0 923.605 1600.0 1018.6801 2500.0 1019.6796 1600.0 1036.6897 16000.0 1037.6937 4000.0 1050.7084 2300.0 END IONS BEGIN IONS SCANS=613 PEPMASS=1166.7643 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 63000.0 91.5079 1400.0 130.0975 1800.0 131.0814 25000.0 441.2697 2000.0 596.4257 3000.0 667.4375 1500.0 685.4484 17000.0 686.4507 4700.0 695.4944 2900.0 923.6044 3200.0 1008.6936 1600.0 1018.6785 3100.0 1019.6785 1500.0 1036.6896 23000.0 1037.693 7300.0 1038.6958 2900.0 END IONS BEGIN IONS SCANS=614 PEPMASS=1166.7648 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 63000.0 91.5079 1400.0 130.0975 1800.0 131.0814 25000.0 441.2697 2000.0 596.4257 3000.0 667.4375 1500.0 685.4484 17000.0 686.4507 4700.0 695.4944 2900.0 923.6044 3200.0 1008.6936 1600.0 1018.6785 3100.0 1019.6785 1500.0 1036.6896 23000.0 1037.693 7300.0 1038.6958 2900.0 END IONS BEGIN IONS SCANS=615 PEPMASS=1175.802 CHARGE=1 COLLISION_ENERGY=0.0 124.0869 1700.0 125.1072 1800.0 126.1026 43000.0 441.2694 2400.0 554.3538 1400.0 610.4409 2600.0 667.4372 1900.0 685.4486 18000.0 686.4514 4200.0 709.5095 2300.0 725.4672 1000.0 806.5249 1200.0 824.5361 1000.0 919.6075 1400.0 937.6205 2100.0 1022.707 1500.0 1032.6952 3000.0 1050.7054 17000.0 1051.7083 6200.0 1052.7104 1100.0 END IONS BEGIN IONS SCANS=616 PEPMASS=1180.7803 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 55000.0 91.5081 1800.0 128.1182 1500.0 130.0975 1600.0 131.0815 23000.0 144.0767 2000.0 144.1132 1700.0 455.285 1900.0 483.3419 1800.0 568.3693 1600.0 578.415 1400.0 596.4253 3900.0 681.4533 1300.0 685.4479 3800.0 686.4506 1700.0 691.5002 1000.0 699.4641 16000.0 700.4667 3900.0 709.5107 2500.0 806.5265 1000.0 824.5357 1900.0 919.6078 1300.0 937.6217 2800.0 1022.7079 1300.0 1032.6951 4600.0 1033.6947 1200.0 1036.6921 2200.0 1037.6932 3300.0 1050.7059 23000.0 1051.7095 6700.0 1052.7078 1400.0 END IONS BEGIN IONS SCANS=617 PEPMASS=1180.78 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 55000.0 91.506 1100.0 130.0974 2600.0 131.0814 23000.0 158.0923 1100.0 455.2848 1400.0 568.3695 1200.0 578.4156 1300.0 596.4256 2600.0 677.4835 1600.0 685.4473 1200.0 695.4952 3200.0 699.4643 20000.0 700.4672 4200.0 725.4676 1100.0 806.5242 1400.0 824.5364 2400.0 825.5389 1000.0 937.6208 3200.0 938.6222 1400.0 1018.6752 1400.0 1022.7142 2700.0 1032.694 2200.0 1036.6892 1000.0 1050.7058 27000.0 1051.7083 8400.0 1052.7085 2000.0 END IONS BEGIN IONS SCANS=618 PEPMASS=1180.7795 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 130000.0 91.5061 1300.0 111.0918 1000.0 128.1183 2000.0 130.0974 3300.0 130.134 1400.0 131.0815 45000.0 441.27 4500.0 459.2803 1100.0 479.3474 1400.0 497.3581 2100.0 536.3449 1200.0 554.3544 3800.0 572.365 1600.0 592.431 1900.0 610.4421 4700.0 611.4457 1800.0 667.4381 4700.0 685.4489 36000.0 686.4523 8600.0 687.4537 1300.0 709.5106 5200.0 725.47 1200.0 806.5267 1100.0 822.5941 1600.0 824.5365 2000.0 891.6144 1400.0 919.6087 3000.0 937.6234 6800.0 938.6238 1400.0 1022.7109 2600.0 1032.6943 5800.0 1033.6975 1200.0 1050.7058 43000.0 1051.7084 15000.0 1052.7122 3400.0 END IONS BEGIN IONS SCANS=619 PEPMASS=1188.795 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1300.0 110.0714 3200.0 112.0871 16000.0 151.0978 8900.0 152.1185 4300.0 153.1134 54000.0 154.1339 1100.0 441.2701 2700.0 465.331 1100.0 578.4151 1000.0 596.426 2000.0 667.4379 1800.0 685.4487 15000.0 686.451 7500.0 687.4545 1700.0 695.4954 2400.0 696.4965 1600.0 905.5942 1500.0 923.6054 2700.0 924.607 1800.0 1009.6958 1500.0 1018.6794 2600.0 1019.683 2600.0 1036.6896 19000.0 1037.6924 14000.0 1038.6965 7000.0 END IONS BEGIN IONS SCANS=620 PEPMASS=1202.8104 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1500.0 110.0715 1700.0 111.0919 1200.0 112.0871 13000.0 151.0978 5300.0 152.1184 2500.0 153.1134 45000.0 441.2704 2400.0 554.3544 2100.0 572.3659 1000.0 610.4421 2500.0 611.446 1200.0 667.4375 2000.0 668.4408 1200.0 685.4486 17000.0 686.4523 7300.0 687.4539 1600.0 709.5099 1700.0 710.514 1300.0 937.6189 1700.0 938.6235 2200.0 1022.7062 1400.0 1032.6945 2800.0 1033.6957 1800.0 1050.7056 15000.0 1051.7078 11000.0 1052.7122 5400.0 END IONS BEGIN IONS SCANS=621 PEPMASS=1225.1145 CHARGE=2 COLLISION_ENERGY=0.0 180.4555 2600.0 180.4589 2000.0 180.7128 2100.0 180.716 1800.0 185.6966 1300.0 199.8707 1200.0 204.7283 1600.0 205.9111 3800.0 210.9869 1800.0 230.5984 3000.0 231.1125 2800.0 232.1404 1500.0 250.8794 1500.0 257.0485 1400.0 272.1596 1700.0 285.6226 3200.0 303.1698 38000.0 321.651 28000.0 322.1523 9100.0 335.1563 32000.0 335.6583 7900.0 344.1963 13000.0 355.1971 9400.0 357.1697 93000.0 357.6714 30000.0 371.1667 7400.0 380.1722 4200.0 384.4757 2100.0 401.2181 5300.0 421.6913 2600000.0 422.1925 1000000.0 422.6941 170000.0 423.1949 6100.0 443.265 4300.0 450.2381 46000.0 451.2413 7400.0 461.2761 2600.0 469.1188 1800.0 484.2542 1800.0 502.2656 65000.0 503.2689 12000.0 505.2121 3600.0 514.3029 6200.0 533.2753 44000.0 534.2787 7800.0 551.2859 13000.0 566.4349 1900.0 597.3397 2300.0 604.3494 8000.0 615.3497 110000.0 616.3526 32000.0 632.3439 110000.0 633.3472 40000.0 634.324 8100.0 650.3538 26000.0 651.3559 8000.0 687.317 5400.0 703.3812 33000.0 704.3834 9200.0 705.3588 3300.0 713.3328 3400.0 733.3922 3300.0 744.2576 2000.0 772.8794 14000.0 773.3801 14000.0 786.4212 8400.0 798.3488 16000.0 798.3872 15000.0 799.3527 6600.0 823.403 3700000.0 823.9038 3900000.0 824.4047 1400000.0 824.9065 210000.0 842.3755 690000.0 843.3787 270000.0 965.6619 2300.0 1014.1047 2200.0 1040.4097 2300.0 1329.9885 2400.0 1563.2699 2500.0 1801.4001 3300.0 1818.3378 2700.0 1906.717 3100.0 2092.7197 2500.0 2516.7419 2400.0 END IONS BEGIN IONS SCANS=622 PEPMASS=1233.098 CHARGE=2 COLLISION_ENERGY=0.0 211.1745 1200.0 231.1122 2500.0 254.1498 1100.0 261.1591 2100.0 272.1604 1200.0 275.1744 1000.0 303.17 63000.0 304.1731 8100.0 329.637 15000.0 330.1388 3600.0 330.1803 8800.0 344.1963 15000.0 355.1971 14000.0 364.6576 4900.0 365.1561 27000.0 365.6575 7300.0 379.1533 9800.0 379.6552 3100.0 422.2432 7000.0 428.6801 11000.0 429.1795 43000.0 429.6777 360000.0 430.179 150000.0 430.6791 36000.0 450.2383 71000.0 451.2415 18000.0 452.2439 1800.0 474.2701 2200.0 476.1625 2000.0 484.2545 3800.0 502.2656 98000.0 503.269 22000.0 504.2716 2700.0 514.3022 12000.0 533.2755 67000.0 534.2789 18000.0 551.2858 20000.0 552.2892 6200.0 561.2143 4200.0 587.194 2900.0 587.3549 2600.0 597.3391 4700.0 615.3496 190000.0 616.353 50000.0 632.3439 180000.0 633.347 58000.0 634.3228 12000.0 634.35 7800.0 650.3544 34000.0 651.3575 12000.0 658.2681 18000.0 659.2715 6500.0 686.2635 27000.0 687.2659 9200.0 703.381 30000.0 704.3837 11000.0 705.3597 3400.0 730.3132 2200.0 733.3922 8000.0 734.3964 2600.0 757.2999 7000.0 776.4329 6300.0 786.4183 15000.0 794.8621 7700.0 795.3638 12000.0 796.3457 7900.0 804.4288 130000.0 814.3585 67000.0 830.8914 57000.0 831.3895 500000.0 831.8905 460000.0 832.3911 190000.0 856.3531 22000.0 857.3491 61000.0 858.3482 680000.0 859.351 290000.0 860.3506 110000.0 861.3528 12000.0 1041.0477 1400.0 END IONS BEGIN IONS SCANS=623 PEPMASS=1234.1023 CHARGE=2 COLLISION_ENERGY=0.0 171.1124 1100.0 190.0858 1400.0 201.1232 1400.0 231.1123 5700.0 233.1644 2300.0 238.5845 2300.0 254.149 1800.0 261.1588 2100.0 267.1331 1400.0 272.16 1100.0 275.1754 1600.0 303.17 110000.0 304.1731 19000.0 329.637 27000.0 330.1391 11000.0 330.1805 17000.0 344.1963 27000.0 355.197 21000.0 365.1559 43000.0 365.6576 19000.0 366.1574 6700.0 379.1534 19000.0 379.6549 8400.0 422.2431 11000.0 429.1796 51000.0 429.6777 540000.0 430.179 310000.0 430.6792 110000.0 431.1796 22000.0 450.2382 110000.0 451.2416 34000.0 452.244 3500.0 474.2703 3100.0 476.1628 3700.0 484.2554 4700.0 502.2655 160000.0 503.2687 47000.0 514.3022 21000.0 533.2754 120000.0 534.2786 42000.0 535.2816 7000.0 551.2858 34000.0 552.2894 14000.0 561.2153 11000.0 562.2179 4400.0 587.3553 5200.0 597.3392 8800.0 615.3497 290000.0 616.3528 110000.0 617.3562 19000.0 632.3438 280000.0 633.347 120000.0 634.3499 23000.0 650.3542 52000.0 651.3579 25000.0 658.2681 29000.0 659.2716 14000.0 686.2632 47000.0 687.2659 20000.0 703.3807 46000.0 704.384 21000.0 705.3605 4600.0 705.3865 4200.0 733.3915 11000.0 734.3964 5400.0 757.2991 12000.0 759.3002 12000.0 776.4332 12000.0 786.418 26000.0 787.421 12000.0 795.3634 17000.0 804.4289 180000.0 814.3583 110000.0 831.3894 560000.0 831.8904 720000.0 832.391 450000.0 832.8917 150000.0 857.348 71000.0 858.348 1000000.0 859.3506 580000.0 860.3504 310000.0 861.3519 68000.0 862.3455 18000.0 END IONS BEGIN IONS SCANS=624 PEPMASS=1252.1294 CHARGE=2 COLLISION_ENERGY=0.0 171.7047 4000.0 171.7085 2800.0 171.9354 4100.0 171.9394 2500.0 190.0855 1400.0 210.2262 2300.0 210.291 2500.0 220.0643 1800.0 230.5985 1800.0 231.1124 7200.0 233.1654 1800.0 261.1592 2200.0 262.1673 1300.0 272.1596 6300.0 290.17 9000.0 294.6277 2400.0 296.9674 1400.0 303.1697 85000.0 321.6509 12000.0 330.1804 11000.0 335.1561 17000.0 344.1961 42000.0 344.6537 26000.0 357.1696 35000.0 357.6711 12000.0 373.2073 15000.0 380.1723 55000.0 380.6739 19000.0 399.696 34000.0 400.198 12000.0 422.2428 9300.0 430.6964 770000.0 431.1978 280000.0 431.6992 46000.0 443.2652 11000.0 450.2379 73000.0 451.2413 15000.0 474.2709 1500.0 492.2821 1900.0 502.2661 12000.0 514.3012 6900.0 520.2759 110000.0 521.2796 23000.0 533.2751 140000.0 534.2784 33000.0 551.2856 20000.0 552.2884 6200.0 565.2791 1500.0 587.2289 1800.0 588.2495 2800.0 589.338 2000.0 604.3497 12000.0 615.3501 17000.0 632.3436 170000.0 633.3613 210000.0 634.3638 59000.0 642.2961 8600.0 650.3546 28000.0 651.3586 6400.0 652.3328 7200.0 661.3007 8400.0 687.3171 34000.0 688.3231 9600.0 703.3816 32000.0 704.3826 11000.0 713.3304 7800.0 721.3911 23000.0 722.395 11000.0 723.3709 12000.0 759.3373 11000.0 772.3337 11000.0 772.3701 7300.0 794.444 24000.0 795.4461 9200.0 798.3502 16000.0 816.3598 800000.0 822.4395 360000.0 841.4136 5800000.0 841.9138 5500000.0 842.4145 2100000.0 842.9158 330000.0 860.3855 810000.0 861.3885 330000.0 862.3915 56000.0 863.3942 3600.0 942.8076 1800.0 991.4556 1700.0 1166.2458 2000.0 1319.7961 2100.0 1379.6674 2200.0 1616.5793 2000.0 1799.3087 2300.0 2275.2949 2400.0 2340.7759 2100.0 2373.9438 2200.0 2434.0242 2000.0 END IONS BEGIN IONS SCANS=625 PEPMASS=1260.1139 CHARGE=2 COLLISION_ENERGY=0.0 173.0918 1600.0 183.1123 1500.0 190.0855 1100.0 208.9369 1000.0 231.1125 7500.0 232.1159 1100.0 233.1644 3300.0 254.1492 1300.0 261.1591 3000.0 272.1599 8500.0 273.1636 1100.0 275.1748 2100.0 290.1703 13000.0 303.1699 140000.0 304.173 13000.0 329.6371 7900.0 330.1805 17000.0 344.1962 63000.0 345.1999 9200.0 355.1964 7300.0 365.1558 4600.0 373.2074 24000.0 374.2106 3000.0 379.1533 8800.0 379.654 2900.0 401.2177 9000.0 422.2432 13000.0 438.185 14000.0 438.6826 62000.0 439.1841 18000.0 443.2646 14000.0 450.2382 120000.0 451.2416 22000.0 476.2493 4400.0 477.1706 2500.0 492.2809 4800.0 496.1764 3000.0 502.2654 20000.0 514.3019 11000.0 520.2762 150000.0 521.2794 29000.0 533.2753 220000.0 534.2784 49000.0 551.2857 32000.0 552.2889 8500.0 560.2075 4100.0 561.2141 9600.0 588.3255 6000.0 589.3337 7800.0 604.3486 21000.0 615.3496 25000.0 632.3438 310000.0 633.361 360000.0 634.3641 91000.0 635.3655 11000.0 650.3543 45000.0 651.3577 12000.0 658.2679 24000.0 659.2759 19000.0 686.2631 33000.0 687.2667 10000.0 703.2881 60000.0 703.3807 72000.0 704.2923 14000.0 704.384 21000.0 721.3917 38000.0 723.3712 13000.0 775.3107 340000.0 776.3139 130000.0 787.2993 27000.0 787.335 47000.0 788.3051 66000.0 794.4446 38000.0 822.4394 600000.0 823.4424 210000.0 831.3253 250000.0 832.3314 390000.0 849.3997 770000.0 849.9008 520000.0 850.4022 130000.0 858.3471 54000.0 875.3535 150000.0 876.3583 670000.0 877.3613 200000.0 878.3611 47000.0 1119.5265 1100.0 1305.6334 1400.0 1612.2318 1300.0 1797.8615 1300.0 1913.9965 1400.0 2075.0413 1300.0 2076.5461 1400.0 2380.7603 1300.0 END IONS BEGIN IONS SCANS=626 PEPMASS=1384.7794 CHARGE=1 COLLISION_ENERGY=0.0 98.0603 2800.0 120.0808 16000.0 122.0602 17000.0 133.101 10000.0 143.0857 9000.0 145.1012 28000.0 147.1167 9600.0 157.1011 15000.0 159.1168 12000.0 171.1166 12000.0 173.1324 8700.0 182.1176 110000.0 184.1333 26000.0 208.1332 7500.0 209.1325 11000.0 223.1481 25000.0 231.1127 8500.0 233.1326 10000.0 234.1123 48000.0 251.1427 140000.0 260.1279 33000.0 266.1536 20000.0 268.1694 20000.0 286.1433 19000.0 288.159 27000.0 300.1593 14000.0 303.17 210000.0 304.1737 11000.0 314.1748 11000.0 330.1808 36000.0 344.1964 50000.0 355.197 45000.0 373.2163 11000.0 382.2371 61000.0 383.1925 7300.0 386.2467 15000.0 388.2634 10000.0 401.2178 19000.0 422.2437 24000.0 432.253 240000.0 433.2566 16000.0 443.2647 27000.0 449.2796 69000.0 450.2385 230000.0 450.2839 5600.0 451.2413 17000.0 459.2639 4400.0 474.2708 6700.0 484.2548 11000.0 502.2657 280000.0 503.2691 24000.0 507.2607 11000.0 514.3019 35000.0 533.2755 270000.0 534.2788 29000.0 551.2858 82000.0 552.2887 9600.0 563.3475 140000.0 564.3506 17000.0 587.3541 5900.0 597.3397 20000.0 606.3273 14000.0 615.3497 530000.0 616.3529 55000.0 632.3439 620000.0 633.347 70000.0 634.3231 44000.0 650.3545 85000.0 651.3571 9200.0 703.3811 60000.0 704.384 6200.0 705.3602 8600.0 733.3912 19000.0 734.3916 2200.0 759.4075 3200.0 776.4335 19000.0 777.4373 4400.0 786.4174 29000.0 787.4186 3800.0 796.6905 2000.0 804.4285 180000.0 805.4312 31000.0 880.4938 2100.0 1051.0201 1900.0 1184.3336 2100.0 1202.2686 2000.0 1222.4846 2000.0 1327.3979 2400.0 END IONS nf_output/clustering/spectra_reformatted.mgf0000644000000000000000000244227614677277124020550 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=601.3337 CHARGE=1 COLLISION_ENERGY=0.0 54.497 1100.0 72.0811 6000.0 86.0967 30000.0 86.0985 1700.0 111.5514 1400.0 120.0806 19000.0 141.0655 2600.0 155.1174 4600.0 157.0971 6300.0 159.0758 1400.0 173.1282 3700.0 183.1125 7400.0 197.1283 2500.0 201.123 7200.0 213.1593 2200.0 214.1185 1400.0 231.1127 10000.0 233.1645 51000.0 234.1678 2200.0 239.1384 1600.0 240.1337 12000.0 248.1386 2700.0 249.1226 2400.0 254.149 10000.0 258.1441 9300.0 259.1066 1100.0 259.14 1800.0 261.1591 65000.0 262.1626 3400.0 267.1331 2700.0 268.1277 1500.0 270.1805 2800.0 285.159 2100.0 288.1338 1200.0 295.1756 6400.0 296.16 3700.0 296.1966 2700.0 299.1735 1200.0 300.2056 1800.0 302.186 3200.0 308.1963 3400.0 312.1686 1100.0 313.1861 8500.0 314.2068 2000.0 315.2059 2500.0 317.1852 1200.0 318.1804 3600.0 323.1709 11000.0 324.1545 15000.0 325.2223 3500.0 326.1862 1600.0 327.1696 1600.0 330.1802 18000.0 332.1604 1500.0 337.1859 2500.0 340.1658 1400.0 341.1811 31000.0 342.1821 2400.0 344.1962 200000.0 345.1991 10000.0 348.1922 2600.0 353.2173 18000.0 356.1967 1800.0 358.175 11000.0 359.2067 1000.0 361.2231 1100.0 362.2068 12000.0 369.1766 2700.0 371.1709 1900.0 372.2281 2100.0 377.2186 1100.0 379.233 1100.0 381.2117 1500.0 387.2017 7400.0 389.1801 2200.0 389.254 2100.0 398.243 4200.0 400.2227 1200.0 401.2173 21000.0 402.2205 2300.0 405.2119 3600.0 408.2604 1500.0 409.2434 5200.0 415.1964 7000.0 415.2692 37000.0 416.2724 3400.0 417.2494 2400.0 425.2529 2000.0 426.2704 1500.0 427.2327 5000.0 428.2177 1400.0 433.2804 6700.0 436.2544 18000.0 437.2386 5600.0 437.2555 1400.0 439.2325 1900.0 443.2293 2800.0 443.2643 110000.0 444.268 8900.0 445.2432 9100.0 454.2649 9500.0 455.2644 9100.0 457.2429 1900.0 460.2538 3100.0 461.2754 6000.0 470.2384 8300.0 472.2908 28000.0 473.2934 2500.0 474.2691 1000.0 482.2754 2600.0 484.2542 7900.0 485.2388 7600.0 488.2491 39000.0 489.2519 3100.0 498.2341 1500.0 498.3067 1000.0 499.2181 2400.0 500.2856 97000.0 501.2888 11000.0 502.265 31000.0 503.2682 2900.0 516.2444 11000.0 516.3177 1600.0 517.2471 1300.0 518.296 1400.0 526.3023 4500.0 529.3135 1500.0 538.3003 2500.0 539.3026 1100.0 544.3115 1100.0 555.3268 4200.0 556.3112 11000.0 557.3083 2300.0 565.3113 1500.0 573.3381 38000.0 574.3413 5300.0 583.3224 31000.0 584.3049 1500.0 584.3268 3600.0 600.4455 5000.0 601.3331 510000.0 601.4491 3300.0 601.5166 2500.0 602.3361 63000.0 END IONS BEGIN IONS SCANS=2 PEPMASS=603.3398 CHARGE=1 COLLISION_ENERGY=0.0 204.0995 7500.0 230.078 1200.0 246.1091 1200.0 286.1769 3400.0 288.156 10000.0 330.1666 5600.0 378.2397 16000.0 379.2431 1600.0 380.2188 83000.0 381.2216 6000.0 422.2287 8000.0 439.2552 1800.0 440.2399 2900.0 449.2762 1700.0 467.2861 2300.0 493.2666 5200.0 511.2768 93000.0 512.2795 9800.0 541.338 3800.0 559.3498 3500.0 585.3292 35000.0 586.3334 5800.0 603.3392 920000.0 603.5335 3600.0 604.3423 110000.0 END IONS BEGIN IONS SCANS=3 PEPMASS=613.3463 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1200.0 102.0551 1400.0 132.1018 1000.0 136.1122 1000.0 145.1013 1200.0 147.0804 1000.0 180.1018 7300.0 181.0856 1700.0 182.1175 10000.0 184.1328 1300.0 195.1167 1100.0 206.1176 1100.0 213.1274 3700.0 215.1428 2300.0 237.127 1200.0 250.1066 1800.0 252.1226 1100.0 265.1217 1800.0 267.1375 1700.0 268.1173 1100.0 283.1324 1100.0 320.1489 1100.0 344.2214 1100.0 396.2159 1300.0 414.2263 1000.0 446.2315 2700.0 463.2583 1000.0 464.2425 1400.0 577.3261 2300.0 595.3369 5100.0 613.3472 5500.0 614.4615 16000.0 END IONS BEGIN IONS SCANS=4 PEPMASS=613.3477 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1200.0 102.0551 1400.0 132.1018 1000.0 136.1122 1000.0 145.1013 1200.0 147.0804 1000.0 180.1018 7300.0 181.0856 1700.0 182.1175 10000.0 184.1328 1300.0 195.1167 1100.0 206.1176 1100.0 213.1274 3700.0 215.1428 2300.0 237.127 1200.0 250.1066 1800.0 252.1226 1100.0 265.1217 1800.0 267.1375 1700.0 268.1173 1100.0 283.1324 1100.0 320.1489 1100.0 344.2214 1100.0 396.2159 1300.0 414.2263 1000.0 446.2315 2700.0 463.2583 1000.0 464.2425 1400.0 577.3261 2300.0 595.3369 5100.0 613.3472 5500.0 614.4615 16000.0 END IONS BEGIN IONS SCANS=5 PEPMASS=614.3181 CHARGE=1 COLLISION_ENERGY=0.0 55.0549 3300.0 72.0813 370000.0 73.0846 2400.0 74.0605 4800.0 86.097 1400.0 98.097 1600.0 120.0805 2400.0 143.1183 1000.0 147.08 1300.0 155.1177 1600.0 171.1124 2500.0 173.0918 10000.0 182.1173 3800.0 183.1121 2300.0 209.1284 8300.0 227.1388 3200.0 228.1341 1900.0 231.1124 1400.0 232.1326 2800.0 233.1646 1700.0 254.1493 11000.0 260.1273 1300.0 261.159 2800.0 277.1539 1300.0 309.1912 1200.0 315.1689 4600.0 330.1804 1900.0 333.1801 5300.0 337.1866 1700.0 338.1706 1800.0 343.1644 96000.0 344.168 5400.0 344.196 10000.0 355.1965 4600.0 358.2225 1100.0 360.1907 5900.0 361.1749 24000.0 362.1783 2000.0 367.2332 2000.0 376.2314 4300.0 401.2173 1400.0 414.2378 54000.0 415.2429 3600.0 415.2683 2500.0 432.2488 2600.0 442.2327 120000.0 443.2365 10000.0 443.264 8500.0 444.2122 18000.0 445.2153 1800.0 445.2438 1200.0 456.368 1300.0 460.2428 3800.0 474.378 6200.0 486.3062 2500.0 502.2651 2600.0 513.2698 6400.0 514.301 11000.0 515.2488 5200.0 515.2846 4100.0 516.2816 1600.0 526.3006 1300.0 543.2805 2900.0 569.295 1500.0 586.3227 8500.0 587.3255 1300.0 587.3536 2700.0 596.3069 1300.0 597.3391 1200.0 613.3457 1000.0 614.3188 1400.0 614.4612 230000.0 615.3486 21000.0 615.4641 21000.0 END IONS BEGIN IONS SCANS=6 PEPMASS=614.4624 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1000.0 89.06 2400.0 133.0857 3100.0 177.1119 2100.0 236.1491 1400.0 245.1853 1900.0 344.1965 5500.0 355.1967 1200.0 358.2218 4000.0 370.2578 2500.0 371.2267 1000.0 376.2322 12000.0 415.2537 3700.0 443.2645 3100.0 456.3672 3100.0 474.3781 18000.0 475.3818 1900.0 486.3065 1400.0 514.3021 5100.0 613.4481 1300.0 613.5236 3000.0 614.4615 680000.0 615.3498 8200.0 615.4647 86000.0 END IONS BEGIN IONS SCANS=7 PEPMASS=614.4614 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 2000.0 71.086 3100.0 73.0652 1300.0 85.1016 3100.0 87.0445 2900.0 88.0762 5900.0 89.0601 76000.0 97.1015 1200.0 99.117 1300.0 107.0705 1100.0 113.1328 1100.0 117.0911 2900.0 130.086 1300.0 131.0699 1800.0 133.0858 100000.0 161.1171 1100.0 175.0961 2000.0 177.1119 47000.0 178.1151 1600.0 183.2107 2400.0 195.1228 1000.0 221.1377 9900.0 227.2366 1500.0 239.1479 3000.0 265.1639 3600.0 271.2625 5600.0 283.1742 4900.0 309.1898 2500.0 315.2886 3900.0 327.2 6000.0 353.2163 1100.0 371.2266 14000.0 372.2297 2300.0 376.2315 1600.0 415.2528 66000.0 416.256 4400.0 474.3779 2400.0 597.4556 9700.0 598.4584 1900.0 614.4609 80000.0 614.4822 6700.0 615.464 13000.0 615.4871 1600.0 END IONS BEGIN IONS SCANS=8 PEPMASS=614.4837 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 2000.0 71.086 3100.0 73.0652 1300.0 85.1016 3100.0 87.0445 2900.0 88.0762 5900.0 89.0601 76000.0 97.1015 1200.0 99.117 1300.0 107.0705 1100.0 113.1328 1100.0 117.0911 2900.0 130.086 1300.0 131.0699 1800.0 133.0858 100000.0 161.1171 1100.0 175.0961 2000.0 177.1119 47000.0 178.1151 1600.0 183.2107 2400.0 195.1228 1000.0 221.1377 9900.0 227.2366 1500.0 239.1479 3000.0 265.1639 3600.0 271.2625 5600.0 283.1742 4900.0 309.1898 2500.0 315.2886 3900.0 327.2 6000.0 353.2163 1100.0 371.2266 14000.0 372.2297 2300.0 376.2315 1600.0 415.2528 66000.0 416.256 4400.0 474.3779 2400.0 597.4556 9700.0 598.4584 1900.0 614.4609 80000.0 614.4822 6700.0 615.464 13000.0 615.4871 1600.0 END IONS BEGIN IONS SCANS=9 PEPMASS=615.3481 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1300.0 86.097 1500.0 88.076 1700.0 120.0809 2900.0 182.1171 2300.0 197.1281 1800.0 201.1234 1900.0 233.1646 1200.0 244.1284 2800.0 254.149 1900.0 261.1591 2200.0 268.1648 3200.0 272.16 1500.0 330.1798 2000.0 337.1859 1500.0 344.1962 7800.0 348.1913 1200.0 355.1964 2700.0 362.2065 1700.0 367.2333 1100.0 401.2167 1600.0 415.2335 1100.0 415.2705 1300.0 419.2287 1500.0 427.2328 6400.0 433.2804 1100.0 443.2647 4100.0 445.2432 4800.0 450.2695 2300.0 461.2749 1300.0 468.2804 2000.0 484.2552 1300.0 498.27 3300.0 502.2646 2000.0 514.3007 1000.0 516.2814 1300.0 526.3013 9200.0 527.3054 1200.0 544.3116 3000.0 570.327 2000.0 587.3548 1600.0 597.3372 6400.0 614.4612 12000.0 615.3495 4900.0 615.4643 9800.0 END IONS BEGIN IONS SCANS=10 PEPMASS=615.3495 CHARGE=1 COLLISION_ENERGY=0.0 51.2979 1800.0 51.4621 1700.0 55.1547 1700.0 55.6396 1700.0 56.1406 2200.0 57.5215 2000.0 58.3492 1800.0 60.0878 1800.0 61.0328 1800.0 61.507 1900.0 63.6708 1800.0 64.9499 1800.0 66.268 2300.0 67.6935 1800.0 67.8957 1700.0 70.1333 1700.0 72.0813 9000.0 74.3215 2400.0 74.8986 1900.0 80.239 1800.0 80.553 1800.0 80.7602 2000.0 86.0968 27000.0 87.6913 2100.0 88.4251 2400.0 90.9285 2100.0 100.3734 2300.0 110.2464 2100.0 114.1447 2100.0 114.92 2100.0 116.7259 2100.0 120.0809 19000.0 120.2525 2100.0 139.215 2100.0 155.0819 2700.0 155.1179 6900.0 166.8938 2400.0 171.1128 7700.0 173.128 5700.0 183.1125 10000.0 185.1285 7800.0 193.8057 2000.0 197.1283 2700.0 201.1229 10000.0 211.1069 2200.0 213.1596 2300.0 227.1386 3000.0 231.1124 14000.0 233.1648 36000.0 239.1749 4400.0 248.1388 6400.0 249.1227 5000.0 254.1493 19000.0 261.1594 62000.0 262.1625 2700.0 266.1493 4300.0 267.134 5600.0 268.1649 12000.0 272.1599 8800.0 284.1967 5600.0 285.1583 2600.0 287.1747 2500.0 296.1967 6000.0 302.1861 6600.0 309.1919 5800.0 310.1756 8000.0 315.207 2100.0 322.2119 3500.0 327.1698 2600.0 327.2024 7400.0 330.1805 31000.0 332.1599 3200.0 332.1973 2600.0 337.1863 20000.0 338.17 33000.0 339.2392 4600.0 344.1964 230000.0 345.2001 10000.0 346.4024 2200.0 348.1913 5500.0 355.1971 46000.0 358.1752 13000.0 362.2067 14000.0 367.2332 46000.0 368.2367 2400.0 370.2122 5900.0 376.2327 4200.0 383.1915 3100.0 385.1863 2400.0 386.243 2900.0 395.2272 4900.0 397.0568 2300.0 397.2447 2200.0 398.2437 7700.0 400.2224 2600.0 401.2177 26000.0 410.2073 4900.0 413.2173 2600.0 413.7241 2500.0 413.7794 2300.0 415.2333 37000.0 415.2697 52000.0 416.2745 2700.0 417.2486 3000.0 419.2284 6300.0 423.2603 6300.0 427.2336 18000.0 429.2126 6600.0 431.228 5500.0 433.2804 6700.0 443.2644 150000.0 444.2679 11000.0 445.2442 27000.0 446.2459 2400.0 450.2701 17000.0 451.2544 8900.0 453.249 5000.0 457.2443 3700.0 458.0067 2100.0 461.2751 6200.0 468.2808 13000.0 469.2806 14000.0 471.2583 3500.0 474.3787 6300.0 475.3806 3600.0 484.2553 6200.0 486.3065 54000.0 486.5768 2200.0 496.2907 2400.0 498.2702 7600.0 498.308 2600.0 499.2542 10000.0 500.286 3600.0 502.2652 39000.0 509.2747 2500.0 514.3015 190000.0 515.3052 20000.0 516.281 26000.0 516.3188 3800.0 522.4853 2100.0 522.742 2100.0 526.301 27000.0 527.304 2800.0 530.2606 9500.0 541.5455 2500.0 544.3127 15000.0 552.3173 3200.0 569.3433 4900.0 570.3279 14000.0 587.3543 40000.0 588.3585 6000.0 589.272 2000.0 597.3381 37000.0 614.4241 2300.0 614.4618 140000.0 615.3491 330000.0 615.4644 93000.0 616.3524 42000.0 616.4711 3500.0 END IONS BEGIN IONS SCANS=11 PEPMASS=619.344 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 3000.0 86.0966 6600.0 91.5061 1200.0 120.0653 1800.0 120.0807 3800.0 155.1176 2300.0 157.0969 2500.0 159.0763 3200.0 177.0868 1900.0 183.1123 4000.0 231.1128 3100.0 232.1285 2200.0 233.1644 21000.0 234.1678 1100.0 240.1334 2200.0 258.1443 20000.0 259.1477 1300.0 261.1591 24000.0 262.1623 1200.0 276.1547 24000.0 277.1499 1000.0 277.1577 1100.0 295.1757 2900.0 300.2064 3100.0 302.1855 1300.0 313.1861 3400.0 314.1702 1800.0 315.2064 1100.0 323.1703 1200.0 326.1846 1600.0 330.1803 5600.0 331.1969 4500.0 341.181 8600.0 344.1962 96000.0 345.1994 7300.0 353.2171 2400.0 358.1754 6200.0 359.1914 14000.0 362.2077 1700.0 387.1871 1000.0 401.2174 1900.0 415.1967 2100.0 415.2693 18000.0 416.2719 1500.0 436.2538 1800.0 443.2643 49000.0 444.2682 5100.0 454.265 2500.0 461.2741 2000.0 463.2544 1100.0 472.2914 3400.0 478.2651 1100.0 488.2494 4000.0 500.2856 16000.0 501.2885 1900.0 502.2631 1300.0 506.2599 14000.0 507.2634 1200.0 516.2426 3600.0 518.2964 3700.0 520.2756 12000.0 521.2803 1500.0 534.2548 11000.0 556.3127 1300.0 557.3447 1200.0 573.3373 3300.0 574.3221 2000.0 583.322 5700.0 591.3486 19000.0 592.3508 2700.0 601.3329 35000.0 602.3356 6100.0 619.3436 260000.0 620.3471 39000.0 END IONS BEGIN IONS SCANS=12 PEPMASS=620.4368 CHARGE=1 COLLISION_ENERGY=0.0 57.0706 3700.0 87.0445 4700.0 89.0601 29000.0 121.0652 1600.0 131.0703 5100.0 133.0858 50000.0 147.0803 1300.0 165.091 6100.0 167.1065 1400.0 175.0964 4300.0 177.112 28000.0 184.0731 14000.0 191.1062 2700.0 193.1222 1000.0 209.1172 4800.0 211.1327 3300.0 219.1226 1000.0 221.1381 8000.0 233.1897 5100.0 235.1327 2600.0 239.1488 1400.0 253.1427 1900.0 255.1584 2200.0 259.205 2900.0 265.1641 2900.0 277.2156 26000.0 278.2191 1300.0 279.1582 1900.0 283.1748 3000.0 297.1692 1400.0 299.1847 1600.0 303.231 3700.0 309.1906 1300.0 321.2416 11000.0 327.2007 1100.0 359.2059 1400.0 403.231 1600.0 447.258 1500.0 479.4084 2300.0 491.2839 15000.0 492.2878 1500.0 515.3577 1500.0 559.3823 2800.0 603.4092 46000.0 604.4123 5000.0 620.4357 34000.0 620.4884 1100.0 621.4405 3700.0 END IONS BEGIN IONS SCANS=13 PEPMASS=621.3402 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 8000.0 91.5063 1100.0 115.0867 85000.0 217.1333 19000.0 235.1436 5000.0 245.128 59000.0 246.1316 3300.0 262.1544 1900.0 263.1383 17000.0 342.1815 1100.0 344.1956 2500.0 359.207 67000.0 360.191 25000.0 360.2091 4300.0 361.1944 1800.0 365.1853 3300.0 408.1914 2900.0 479.2643 11000.0 480.2686 1300.0 507.2593 18000.0 508.2628 2300.0 522.2701 5000.0 576.3168 1100.0 604.312 2300.0 621.3386 4200.0 END IONS BEGIN IONS SCANS=14 PEPMASS=622.3237 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 9900.0 116.0707 6000.0 136.076 1500.0 217.1335 27000.0 218.1369 1700.0 235.1438 8600.0 245.1281 140000.0 246.1312 5800.0 263.1383 22000.0 264.1417 1100.0 344.196 1800.0 360.1911 150000.0 361.1945 12000.0 365.1853 2600.0 408.1909 2200.0 479.2643 8100.0 507.2595 11000.0 508.2617 1300.0 523.254 7200.0 622.3224 3400.0 END IONS BEGIN IONS SCANS=15 PEPMASS=627.35 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2700.0 91.5081 1100.0 155.0815 2300.0 217.1331 3200.0 229.1545 32000.0 230.1573 1000.0 245.1279 11000.0 252.1335 2100.0 270.144 1600.0 286.1755 8400.0 337.2228 2100.0 342.1807 3200.0 365.2172 3300.0 371.2074 1100.0 383.2282 260000.0 384.2317 15000.0 399.202 11000.0 496.2537 1500.0 530.2958 11000.0 609.3383 3300.0 627.3491 100000.0 628.3523 13000.0 628.476 2400.0 END IONS BEGIN IONS SCANS=16 PEPMASS=627.3476 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 1300.0 182.1174 1200.0 217.1332 1400.0 229.1544 13000.0 245.1282 3600.0 286.1753 2900.0 383.2283 95000.0 384.2321 5500.0 399.2025 3100.0 530.2965 5000.0 609.3354 1500.0 626.4601 1200.0 627.3488 35000.0 627.4633 1100.0 628.3517 4200.0 628.4772 18000.0 END IONS BEGIN IONS SCANS=17 PEPMASS=628.4772 CHARGE=1 COLLISION_ENERGY=0.0 182.1174 1800.0 390.2475 2000.0 474.3779 4100.0 628.4771 130000.0 629.4804 20000.0 END IONS BEGIN IONS SCANS=18 PEPMASS=628.4774 CHARGE=1 COLLISION_ENERGY=0.0 182.1173 2100.0 236.1486 2100.0 372.2373 2300.0 390.2477 7400.0 456.3676 1900.0 474.3781 15000.0 475.3812 1300.0 627.4641 4000.0 628.4771 500000.0 629.4802 67000.0 END IONS BEGIN IONS SCANS=19 PEPMASS=628.478 CHARGE=1 COLLISION_ENERGY=0.0 51.5913 1400.0 51.9174 1500.0 53.2222 1700.0 59.2971 1500.0 61.3107 1700.0 62.0514 1600.0 62.61 1900.0 63.4044 1700.0 66.4054 1800.0 67.4116 1700.0 69.8671 2600.0 71.0488 1600.0 71.5554 1900.0 74.7467 2100.0 75.9736 2000.0 78.8748 1700.0 80.1185 1600.0 80.6586 1700.0 85.9968 1600.0 89.0602 1600.0 89.6832 1600.0 91.8705 1700.0 92.7078 1900.0 95.636 1700.0 99.7419 1700.0 107.0931 1600.0 110.6831 1700.0 113.1866 2000.0 115.6435 2000.0 122.3076 2000.0 128.3308 2200.0 133.0858 2600.0 136.6753 2400.0 142.1949 2000.0 152.2245 2000.0 161.7316 1500.0 161.9321 2200.0 183.8739 1900.0 188.1114 1800.0 191.9062 1900.0 192.3984 2300.0 213.1024 1900.0 230.5698 1900.0 232.1248 2000.0 236.1489 5000.0 261.6594 2000.0 301.9191 1800.0 309.26 1900.0 309.4373 1900.0 317.1492 2100.0 372.237 12000.0 390.2476 37000.0 393.1263 2100.0 402.3342 1900.0 415.2526 2200.0 418.7449 2100.0 453.4334 2500.0 455.1154 2100.0 456.3675 6600.0 474.3779 60000.0 475.3813 2800.0 508.7093 1900.0 512.9299 1900.0 515.0965 2200.0 528.1649 2400.0 548.5023 2100.0 572.8389 2300.0 627.4644 14000.0 628.4771 2100000.0 629.4802 280000.0 637.9914 2000.0 647.7135 2600.0 END IONS BEGIN IONS SCANS=20 PEPMASS=628.4794 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 4300.0 88.076 3300.0 89.0601 170000.0 90.0636 1200.0 91.0757 1100.0 91.5063 1800.0 107.0704 1000.0 117.0913 2200.0 130.0863 2400.0 131.0701 5400.0 133.0858 270000.0 134.0893 3900.0 175.0964 4000.0 177.1119 130000.0 178.1153 3800.0 195.1227 1700.0 219.1227 1600.0 221.1381 28000.0 222.1415 1500.0 223.1537 1500.0 239.1486 7200.0 265.1643 9700.0 283.1747 9100.0 309.19 4800.0 327.2004 14000.0 328.2033 1400.0 353.2159 2700.0 371.2267 31000.0 372.2295 4800.0 390.2474 2100.0 397.2422 1800.0 415.2528 230000.0 416.256 19000.0 474.377 3300.0 611.4707 1500.0 628.3737 7600.0 628.4764 120000.0 628.4984 16000.0 629.376 2000.0 629.4799 21000.0 629.5017 1500.0 END IONS BEGIN IONS SCANS=21 PEPMASS=628.4785 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 4300.0 88.076 3300.0 89.0601 170000.0 90.0636 1200.0 91.0757 1100.0 91.5063 1800.0 107.0704 1000.0 117.0913 2200.0 130.0863 2400.0 131.0701 5400.0 133.0858 270000.0 134.0893 3900.0 175.0964 4000.0 177.1119 130000.0 178.1153 3800.0 195.1227 1700.0 219.1227 1600.0 221.1381 28000.0 222.1415 1500.0 223.1537 1500.0 239.1486 7200.0 265.1643 9700.0 283.1747 9100.0 309.19 4800.0 327.2004 14000.0 328.2033 1400.0 353.2159 2700.0 371.2267 31000.0 372.2295 4800.0 390.2474 2100.0 397.2422 1800.0 415.2528 230000.0 416.256 19000.0 474.377 3300.0 611.4707 1500.0 628.3737 7600.0 628.4764 120000.0 628.4984 16000.0 629.376 2000.0 629.4799 21000.0 629.5017 1500.0 END IONS BEGIN IONS SCANS=22 PEPMASS=628.4787 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 3000.0 88.0761 1300.0 89.0601 100000.0 107.0705 1200.0 117.0911 1300.0 130.0861 1600.0 131.0698 2900.0 133.0858 160000.0 134.0887 2700.0 175.0961 2800.0 177.1119 76000.0 178.1148 2000.0 221.1381 16000.0 239.1482 3600.0 265.164 4700.0 283.1744 8100.0 309.1904 3200.0 327.2003 9200.0 353.2166 1600.0 371.2266 27000.0 372.2298 4100.0 397.2425 1600.0 415.2529 140000.0 416.2563 11000.0 474.3765 2300.0 611.47 1300.0 628.3738 4100.0 628.4764 62000.0 628.4985 13000.0 629.4796 12000.0 629.5015 1300.0 END IONS BEGIN IONS SCANS=23 PEPMASS=628.4996 CHARGE=1 COLLISION_ENERGY=0.0 56.046 1000.0 69.8671 1500.0 71.7326 1000.0 73.3755 1100.0 84.5075 1200.0 88.5848 1100.0 89.0601 3900.0 99.016 1100.0 127.5517 1100.0 130.3692 1100.0 133.086 4200.0 133.8114 1200.0 151.1976 1100.0 154.4759 1100.0 157.2434 1700.0 166.787 1300.0 176.0729 1000.0 177.112 2300.0 197.19 1400.0 199.5514 1200.0 236.1491 1800.0 250.6832 1300.0 269.3887 1400.0 285.2791 1100.0 287.0222 1100.0 288.9682 1300.0 329.304 1300.0 337.599 1200.0 350.0741 1100.0 353.3488 1200.0 364.8466 1000.0 372.2377 6100.0 384.3352 1100.0 384.5461 1200.0 390.2477 14000.0 394.2123 1200.0 402.1813 1100.0 415.2541 2300.0 456.3676 2900.0 467.8945 1400.0 474.3781 33000.0 475.3814 3400.0 486.3031 1400.0 502.3782 1300.0 540.7516 1200.0 545.4016 1700.0 546.404 2000.0 547.4091 2100.0 553.6717 1300.0 575.5263 1100.0 611.4724 1500.0 627.465 5000.0 628.4771 1000000.0 629.4803 150000.0 647.2172 1200.0 END IONS BEGIN IONS SCANS=24 PEPMASS=628.499 CHARGE=1 COLLISION_ENERGY=0.0 89.06 7300.0 117.0912 1500.0 133.0858 11000.0 177.1122 6900.0 221.1383 1100.0 236.1494 1700.0 371.2269 4700.0 372.2384 2700.0 390.2473 8800.0 415.2529 7300.0 456.3679 2700.0 474.3778 18000.0 475.3825 1400.0 627.4634 2500.0 628.3768 5500.0 628.4772 580000.0 629.4804 75000.0 END IONS BEGIN IONS SCANS=25 PEPMASS=628.4996 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 2800.0 89.0601 77000.0 90.0633 1200.0 130.086 1400.0 131.0701 2700.0 133.0857 120000.0 134.0892 1000.0 175.0961 1700.0 177.1118 59000.0 178.1152 2000.0 195.1225 1500.0 221.138 14000.0 239.1483 3300.0 265.1641 3200.0 283.1742 5600.0 309.1905 2200.0 327.1998 6500.0 353.2165 1500.0 371.2265 17000.0 372.2295 2100.0 397.2419 1300.0 415.2528 110000.0 416.2561 7700.0 611.4689 1200.0 628.3732 3400.0 628.4759 32000.0 628.4982 13000.0 629.4792 5400.0 629.5022 1500.0 END IONS BEGIN IONS SCANS=26 PEPMASS=629.3656 CHARGE=1 COLLISION_ENERGY=0.0 52.2811 1100.0 52.6311 1000.0 55.7596 1100.0 56.4803 1200.0 56.5014 1300.0 56.6034 1300.0 56.6041 1200.0 61.0294 1100.0 72.0812 2200.0 77.4231 1200.0 82.6708 1400.0 86.0968 29000.0 88.3461 1300.0 88.9965 1200.0 91.2315 1200.0 91.5063 3200.0 99.5997 1400.0 100.2324 1100.0 108.3339 1100.0 108.664 1100.0 109.9055 1200.0 112.4914 1200.0 113.4985 1200.0 120.0807 15000.0 120.083 2100.0 121.8127 1300.0 123.7732 1200.0 133.086 1900.0 138.225 1400.0 148.2151 1300.0 155.0813 1900.0 157.1333 1300.0 157.7526 1200.0 160.7818 1200.0 161.157 1300.0 164.9966 1100.0 168.667 1100.0 169.1334 4700.0 185.128 10000.0 187.1435 4000.0 189.6674 1200.0 197.1282 8800.0 210.1232 1500.0 215.1395 6500.0 223.1431 1500.0 231.1128 7800.0 233.1645 25000.0 236.1488 1600.0 248.1397 1500.0 249.123 2300.0 252.1697 1500.0 253.154 2400.0 253.1903 2600.0 261.1593 33000.0 262.1615 1500.0 268.1652 24000.0 278.1476 1500.0 280.1654 2200.0 280.913 1500.0 281.1493 8200.0 286.1756 5100.0 289.8176 1200.0 298.176 1300.0 298.2121 1400.0 301.5913 1200.0 303.851 1400.0 310.2115 1800.0 312.1302 1200.0 316.201 4700.0 316.5061 1300.0 323.2072 5800.0 324.1915 2900.0 328.2226 2100.0 332.1601 1700.0 332.1959 3800.0 341.2174 4800.0 343.1638 1400.0 344.1963 180000.0 345.1995 13000.0 349.7124 1300.0 351.2018 13000.0 352.1861 25000.0 352.6462 1300.0 353.2541 2200.0 361.2221 3200.0 362.195 1700.0 362.2061 13000.0 363.2096 1500.0 369.2126 29000.0 370.2116 4400.0 372.1905 7100.0 372.2366 3000.0 381.2489 25000.0 390.2474 9200.0 391.2509 4200.0 403.1971 1300.0 410.2061 2100.0 412.2583 4100.0 415.2333 39000.0 416.2365 2500.0 417.2479 2400.0 427.2328 17000.0 429.2853 30000.0 430.2692 1400.0 430.2886 2700.0 430.3039 1400.0 433.2433 5800.0 443.228 5100.0 445.2439 26000.0 446.2468 2700.0 447.2954 4300.0 453.2487 1600.0 456.3667 2700.0 457.2801 76000.0 458.2838 8500.0 464.2855 7100.0 464.7177 1300.0 465.2696 5500.0 471.2593 4200.0 474.378 15000.0 475.2913 4200.0 475.3814 4600.0 482.2959 6300.0 483.2955 7700.0 488.2845 1800.0 498.2702 12000.0 499.2549 8500.0 499.2708 1400.0 500.3221 35000.0 501.3082 2000.0 501.3267 3700.0 505.2922 1300.0 510.3073 1600.0 512.322 2900.0 513.306 2300.0 514.3022 1600.0 516.2808 53000.0 517.2848 6500.0 526.6045 1400.0 528.3171 100000.0 529.3205 14000.0 530.3326 4000.0 540.3165 14000.0 541.3203 2200.0 544.2756 5600.0 558.3265 7600.0 566.333 2800.0 583.1934 1400.0 583.3601 1400.0 584.3436 6700.0 585.3365 1800.0 600.6478 1400.0 601.3693 29000.0 602.3719 3500.0 611.3545 23000.0 612.3565 2000.0 628.4772 360000.0 629.3647 180000.0 629.4806 250000.0 630.3677 27000.0 630.4555 3000.0 630.483 14000.0 647.4493 1500.0 END IONS BEGIN IONS SCANS=27 PEPMASS=632.3188 CHARGE=1 COLLISION_ENERGY=0.0 50.2801 4600.0 53.1547 5400.0 53.4913 6800.0 53.6761 5500.0 54.9201 5500.0 57.412 5400.0 58.3283 6400.0 60.7449 5100.0 68.2105 5200.0 68.7904 6200.0 70.0996 5500.0 71.6593 5100.0 71.7931 5700.0 72.0813 69000.0 74.073 6000.0 76.9184 6200.0 80.7206 11000.0 86.0969 2500000.0 87.1 32000.0 90.8177 6400.0 92.0295 9500.0 112.5849 6000.0 120.0809 250000.0 121.0845 8300.0 150.8446 6400.0 155.1176 29000.0 162.0912 24000.0 183.1118 13000.0 190.086 56000.0 216.0746 7000.0 218.6024 6000.0 231.1124 340000.0 232.1159 14000.0 233.1644 79000.0 234.168 7000.0 239.9802 6500.0 240.5107 6100.0 245.9466 6700.0 261.1593 21000.0 267.8619 7600.0 274.9978 6200.0 275.1748 97000.0 302.1855 75000.0 303.1699 3000000.0 304.1729 160000.0 311.8518 6900.0 313.0524 6100.0 318.5185 5600.0 330.18 49000.0 344.1964 3300000.0 345.1996 220000.0 368.2716 7100.0 375.8141 5900.0 389.9558 7600.0 394.1517 7300.0 405.6057 6000.0 415.2694 45000.0 416.2733 9600.0 421.2914 6500.0 422.2432 36000.0 430.9247 6700.0 443.2648 29000.0 450.2382 120000.0 451.2408 20000.0 498.8456 7400.0 515.2639 56000.0 519.6368 8000.0 525.068 6400.0 533.2748 1300000.0 534.278 200000.0 552.4839 6100.0 586.3387 11000.0 604.3479 120000.0 605.351 21000.0 632.3434 49000.0 632.4683 7600.0 633.3452 8400.0 END IONS BEGIN IONS SCANS=28 PEPMASS=632.3423 CHARGE=1 COLLISION_ENERGY=0.0 54.1522 1200.0 55.5755 1300.0 57.0471 1400.0 63.4575 1400.0 68.0685 1400.0 68.6457 1500.0 71.9422 1500.0 72.0812 10000.0 72.3546 1700.0 74.2839 1500.0 80.6765 1700.0 84.3218 1400.0 86.0968 400000.0 87.1002 5000.0 95.7218 1600.0 99.4341 1800.0 101.552 1500.0 103.6432 1500.0 107.0414 1300.0 108.7736 1700.0 118.8837 1700.0 119.6978 1400.0 120.0809 42000.0 121.5569 1400.0 148.3773 1700.0 155.1177 1600.0 162.0916 2000.0 181.7518 2000.0 183.1125 1500.0 190.0857 9800.0 207.5983 1400.0 213.5603 1600.0 217.6543 1600.0 229.1196 1600.0 231.1125 47000.0 231.9833 1500.0 232.1158 2200.0 233.165 7500.0 246.2984 1700.0 250.8961 1500.0 256.7269 1700.0 261.1592 5700.0 261.9099 1900.0 275.1746 16000.0 276.1788 2100.0 285.1608 1700.0 302.1846 1700.0 303.1699 500000.0 304.1735 34000.0 308.2912 1800.0 320.2747 2000.0 330.1807 8400.0 333.6354 1700.0 336.0169 1900.0 344.1964 560000.0 345.1993 37000.0 408.7984 1900.0 415.2702 2100.0 422.243 6900.0 443.2637 3600.0 447.0914 1700.0 450.2379 29000.0 455.2245 2000.0 499.0807 1700.0 510.3605 2000.0 515.265 6200.0 517.6729 1600.0 532.2587 2000.0 533.2747 230000.0 534.2781 30000.0 604.347 2500.0 606.6147 1900.0 632.3426 7700.0 633.304 2500.0 633.3577 7000.0 663.8265 1700.0 END IONS BEGIN IONS SCANS=29 PEPMASS=632.3428 CHARGE=1 COLLISION_ENERGY=0.0 51.5928 1000.0 53.895 1000.0 60.0154 1100.0 63.3367 1100.0 72.0815 7700.0 78.7505 1100.0 80.6766 2100.0 80.7206 1300.0 82.6363 1100.0 86.0968 400000.0 86.7333 1100.0 87.1004 2300.0 92.0295 1600.0 96.1482 1000.0 98.0182 1200.0 107.2148 1100.0 120.0809 41000.0 133.7829 1000.0 133.8658 1200.0 145.956 1200.0 155.1178 3300.0 156.1451 1100.0 157.96 1100.0 162.0913 3700.0 162.2072 1000.0 183.1131 2400.0 190.086 8300.0 199.788 1100.0 199.9749 1100.0 208.4316 1100.0 229.3658 1100.0 231.1127 53000.0 232.1161 3300.0 233.1645 10000.0 235.0343 1100.0 249.583 1000.0 261.1597 4500.0 275.1752 13000.0 279.6229 1200.0 293.5752 1200.0 302.1864 3700.0 303.17 480000.0 304.173 25000.0 330.1804 8700.0 337.233 1300.0 344.1964 540000.0 344.5862 1900.0 345.1995 37000.0 381.9097 1200.0 382.2297 1200.0 388.6854 1700.0 394.6287 1600.0 397.1718 1200.0 408.5268 1400.0 415.2698 3200.0 422.2426 6300.0 443.2648 5900.0 450.238 20000.0 451.2414 3200.0 487.2687 1100.0 489.6713 1100.0 506.9454 1600.0 507.4271 1400.0 515.2644 10000.0 533.2749 210000.0 534.2783 27000.0 604.3481 2500.0 632.1766 1300.0 632.3447 9300.0 632.4705 2500.0 647.7441 1400.0 END IONS BEGIN IONS SCANS=30 PEPMASS=632.3436 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1600.0 86.0968 71000.0 120.0808 6900.0 182.1171 1300.0 190.0866 1700.0 231.1125 9300.0 233.1642 2500.0 261.1591 3200.0 272.1598 2700.0 275.1742 2300.0 303.1698 91000.0 304.173 4900.0 330.1799 2800.0 344.1963 99000.0 345.1998 6100.0 362.2062 1700.0 367.2338 1400.0 415.2698 2000.0 419.2267 1100.0 433.2801 1900.0 443.2641 9000.0 450.2378 4300.0 461.2743 2700.0 504.3166 1200.0 514.3006 3800.0 515.2634 1500.0 532.3126 3400.0 533.2748 39000.0 534.2781 5100.0 631.4848 1400.0 632.3436 1300.0 632.4357 1200.0 632.472 2400.0 633.3592 13000.0 END IONS BEGIN IONS SCANS=31 PEPMASS=632.3431 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 8300.0 86.0968 120000.0 87.1003 1100.0 120.0809 12000.0 155.1179 1500.0 162.0913 1300.0 190.0857 2500.0 231.1125 17000.0 233.1644 3500.0 261.1592 2100.0 275.1747 5000.0 303.1699 160000.0 304.1729 9300.0 330.1806 2100.0 343.1641 1900.0 344.1963 170000.0 345.1996 13000.0 361.1744 1600.0 422.2431 1800.0 442.2321 5300.0 443.2644 1600.0 450.2378 8900.0 460.243 2300.0 515.2646 2900.0 533.2748 74000.0 534.2781 11000.0 604.3486 1000.0 631.4853 1500.0 632.3443 3100.0 632.4343 1300.0 632.4722 2500.0 END IONS BEGIN IONS SCANS=32 PEPMASS=632.3439 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3600.0 86.0968 140000.0 87.1003 1700.0 89.0601 1700.0 120.0808 17000.0 133.086 1800.0 155.1176 1500.0 162.0911 1700.0 177.1121 1300.0 184.073 2700.0 190.0858 2600.0 231.1123 18000.0 233.1645 3900.0 261.1595 2000.0 275.1747 4700.0 302.1858 5300.0 303.1699 190000.0 304.1731 8000.0 330.1807 3400.0 344.1963 150000.0 345.1996 9900.0 415.2688 3000.0 422.2432 2700.0 443.2644 1400.0 450.2374 7800.0 451.2411 1200.0 491.3725 2800.0 515.2639 3400.0 533.2747 80000.0 534.2778 11000.0 604.3476 7800.0 631.4587 1400.0 631.4855 4900.0 632.3425 3100.0 632.4363 3000.0 632.4716 9900.0 633.3466 1100.0 END IONS BEGIN IONS SCANS=33 PEPMASS=633.361 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1700.0 86.0966 7000.0 120.0655 1800.0 120.0806 2500.0 143.1177 1000.0 155.1177 1700.0 171.113 6500.0 173.0916 2500.0 183.1121 3000.0 191.1027 2700.0 231.1125 3000.0 233.1645 12000.0 246.1443 1400.0 254.1494 3600.0 261.1593 18000.0 262.1623 1700.0 268.1643 1100.0 272.1602 8600.0 286.1754 1000.0 290.1704 12000.0 300.2066 1700.0 309.1914 2000.0 326.1855 1200.0 327.2019 2000.0 328.1856 3200.0 330.1805 6200.0 337.1862 2600.0 344.1963 100000.0 345.1993 7500.0 345.2128 3600.0 355.1967 9800.0 358.175 5300.0 362.2065 3800.0 367.2332 3700.0 373.2074 17000.0 385.2437 1800.0 398.2423 1000.0 401.2178 4000.0 415.2336 3200.0 415.2692 19000.0 416.2734 1600.0 419.2277 1400.0 429.2135 2600.0 433.2444 1300.0 433.2802 1500.0 443.2645 67000.0 444.2672 7800.0 445.2434 1600.0 450.27 3700.0 461.2746 2100.0 463.2544 3600.0 468.2809 5400.0 469.2801 1500.0 484.255 1200.0 486.2911 1200.0 486.3068 7300.0 487.2915 1200.0 487.3101 1100.0 502.2647 3900.0 504.3165 1500.0 514.3017 30000.0 515.3052 4800.0 516.28 3200.0 520.2755 9000.0 526.3016 1700.0 530.2603 1200.0 532.3114 11000.0 533.3161 1200.0 534.2913 16000.0 534.3279 2500.0 535.2941 1900.0 544.3119 1900.0 548.2703 14000.0 549.274 1300.0 562.3211 3100.0 570.3261 1900.0 587.3533 3600.0 588.3366 3400.0 597.3389 6700.0 605.3646 26000.0 606.3677 3800.0 615.3486 34000.0 616.3523 6600.0 633.3594 140000.0 634.3627 26000.0 END IONS BEGIN IONS SCANS=34 PEPMASS=633.3605 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 86.0969 2800.0 120.0808 1700.0 171.1129 2700.0 173.0918 2000.0 183.1124 2200.0 191.1026 1300.0 231.1124 2200.0 233.1646 7700.0 246.1449 1100.0 254.1493 2600.0 261.1592 9400.0 272.16 3400.0 290.1704 4300.0 309.1918 1500.0 328.1861 1400.0 330.1807 3000.0 337.1862 1900.0 344.1962 40000.0 345.1999 2600.0 345.2127 2300.0 355.197 5100.0 358.1753 3300.0 362.2069 1500.0 367.2334 3400.0 373.2074 11000.0 401.2183 1300.0 415.2327 2700.0 415.2693 9800.0 419.2286 1100.0 429.2128 1100.0 443.2646 30000.0 444.2679 3700.0 450.2707 2100.0 461.2748 1400.0 463.2546 1800.0 468.2809 2700.0 469.2812 1300.0 486.3068 5700.0 487.2911 1000.0 502.2659 1300.0 504.3174 1500.0 514.3015 25000.0 515.3044 3100.0 520.2758 5100.0 532.312 6200.0 533.3145 1100.0 534.2911 6700.0 535.2957 1000.0 544.3118 1300.0 548.2701 5800.0 549.274 1600.0 562.3218 1500.0 570.3289 1100.0 587.3542 1900.0 588.3379 1300.0 597.3376 4400.0 605.3647 14000.0 606.3684 2300.0 615.3491 18000.0 616.3513 3300.0 633.3595 110000.0 634.3626 18000.0 END IONS BEGIN IONS SCANS=35 PEPMASS=633.3598 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6700.0 120.0806 4300.0 171.112 5200.0 173.0914 5000.0 173.1281 4500.0 183.1125 1600.0 185.1282 2300.0 201.1234 13000.0 227.1386 1300.0 231.1127 3100.0 233.1646 7600.0 239.1753 1300.0 249.1225 2500.0 254.1491 3400.0 261.1589 22000.0 262.1622 1500.0 272.1597 27000.0 273.1632 1300.0 284.1963 2400.0 287.175 1400.0 296.1967 1100.0 303.1699 1200.0 314.2066 2300.0 317.1861 1400.0 318.1811 2000.0 330.1804 9700.0 332.1959 4500.0 340.223 1200.0 344.196 40000.0 345.1996 2200.0 348.1906 4000.0 355.1964 1700.0 357.25 1500.0 358.1751 2700.0 362.2063 23000.0 363.2103 2100.0 367.2333 16000.0 373.2072 7000.0 374.2078 2100.0 376.185 1700.0 385.2437 12000.0 386.2442 2800.0 389.2535 3900.0 398.2431 1200.0 401.2172 3500.0 403.2689 1100.0 405.2483 1400.0 415.233 14000.0 415.2692 18000.0 416.2372 1500.0 416.2533 2900.0 416.2721 1300.0 417.2476 6700.0 419.2279 11000.0 427.2322 1300.0 431.2645 2100.0 433.2441 8700.0 433.2798 21000.0 434.2833 2600.0 443.2642 72000.0 444.2675 9700.0 445.2436 2200.0 460.2902 1600.0 461.2747 30000.0 462.2787 3500.0 469.2797 5800.0 486.3059 7000.0 487.2906 9000.0 488.2858 3600.0 504.3171 20000.0 505.3202 2100.0 514.3011 38000.0 515.3038 4700.0 520.2752 2700.0 526.3024 2100.0 532.3117 32000.0 533.3161 3000.0 544.3135 1100.0 597.3373 2400.0 615.3488 7400.0 633.359 110000.0 634.3623 17000.0 END IONS BEGIN IONS SCANS=36 PEPMASS=633.3601 CHARGE=1 COLLISION_ENERGY=0.0 52.6892 6600.0 57.2926 5500.0 57.8514 5700.0 59.1694 6100.0 59.1991 5600.0 60.3426 5400.0 61.2158 5500.0 61.436 5400.0 63.5541 5700.0 66.1763 5700.0 69.8859 6100.0 71.063 5700.0 71.8005 6600.0 72.0813 15000.0 76.3485 7400.0 79.475 5500.0 81.2053 5700.0 86.0951 12000.0 86.0968 120000.0 86.5891 6500.0 87.2622 6400.0 92.7824 6000.0 95.8436 6800.0 96.1275 5700.0 98.4317 5400.0 102.8877 6100.0 120.0811 31000.0 124.8127 5600.0 126.4673 5600.0 127.0344 5800.0 127.4046 5600.0 127.5647 6600.0 130.5518 6100.0 133.7066 6000.0 137.8251 6700.0 149.9851 6200.0 155.1174 10000.0 160.2582 6500.0 171.1126 27000.0 172.2337 6300.0 173.0913 18000.0 173.43 6700.0 176.0932 6200.0 183.1127 30000.0 191.1027 13000.0 196.6445 6500.0 231.1119 34000.0 233.1648 73000.0 246.1449 9200.0 248.1386 10000.0 254.1432 6600.0 254.1497 35000.0 261.1593 110000.0 262.1635 6600.0 272.1596 45000.0 275.1755 8400.0 290.17 45000.0 296.1959 20000.0 300.2062 13000.0 302.1858 11000.0 303.1696 100000.0 304.1731 26000.0 307.4037 7000.0 309.1918 7000.0 315.2065 9600.0 324.3367 6800.0 327.2026 9400.0 328.1869 11000.0 330.1809 39000.0 337.187 12000.0 339.2377 7200.0 344.1962 600000.0 345.2 84000.0 345.2127 22000.0 348.191 11000.0 351.8493 6900.0 355.1967 47000.0 358.1758 27000.0 362.2068 14000.0 367.2332 36000.0 373.2069 110000.0 374.2102 8800.0 379.2338 6700.0 385.2443 9300.0 398.2421 10000.0 400.7483 7500.0 401.2173 25000.0 403.2988 6400.0 405.7527 6700.0 407.4511 6900.0 415.2326 29000.0 415.2698 130000.0 416.2734 19000.0 419.2278 12000.0 421.2077 7100.0 429.2131 12000.0 433.2792 8300.0 443.2644 280000.0 444.2682 34000.0 447.2224 11000.0 450.2698 24000.0 461.275 18000.0 463.2547 20000.0 468.2815 34000.0 469.2805 11000.0 486.3065 67000.0 487.2914 16000.0 487.3099 9600.0 488.286 14000.0 502.2653 21000.0 504.3177 13000.0 514.3013 280000.0 515.3054 46000.0 516.2805 13000.0 520.276 47000.0 532.3124 60000.0 533.2754 51000.0 534.2928 67000.0 534.327 7500.0 544.3115 13000.0 548.27 96000.0 549.2719 9500.0 562.3232 19000.0 570.3284 11000.0 571.3215 11000.0 587.3547 22000.0 588.3389 10000.0 588.3606 7900.0 589.3409 7700.0 593.7851 6700.0 597.3381 47000.0 598.3429 11000.0 605.3645 130000.0 606.3679 21000.0 615.3484 210000.0 616.3518 36000.0 632.4985 8100.0 633.3593 1200000.0 634.3625 170000.0 END IONS BEGIN IONS SCANS=37 PEPMASS=633.3609 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3000.0 86.0951 1200.0 86.0968 12000.0 91.506 1300.0 120.0808 3700.0 155.1176 1600.0 171.1122 3800.0 173.0916 2700.0 183.1124 3100.0 191.1023 2000.0 231.1126 3300.0 233.1647 8100.0 254.1488 3000.0 261.159 12000.0 268.1647 1100.0 272.1597 5300.0 284.1964 1100.0 290.1705 5700.0 300.206 1000.0 302.1862 1600.0 303.1698 8800.0 304.1732 1900.0 309.1912 1000.0 330.1803 5000.0 337.1856 2900.0 344.196 62000.0 345.1995 6200.0 345.2125 3500.0 355.1968 7100.0 358.1748 3400.0 362.2068 2400.0 367.2335 4300.0 373.2073 10000.0 385.2437 1000.0 398.2434 1200.0 401.2176 2700.0 415.2332 3300.0 415.2693 16000.0 419.2284 1200.0 433.243 1300.0 443.2642 36000.0 444.2672 3700.0 450.2701 3400.0 461.2754 1700.0 463.2542 2400.0 468.2806 2900.0 486.3063 8500.0 487.2909 1100.0 502.2647 2200.0 504.3165 1700.0 514.3013 34000.0 515.3052 3200.0 516.2804 1300.0 520.275 5400.0 532.3112 8700.0 533.2751 2800.0 534.2926 8200.0 544.3115 1300.0 548.27 8400.0 562.3231 2500.0 587.3537 3200.0 588.3387 1700.0 597.339 6600.0 605.3641 18000.0 606.3677 3000.0 615.3485 23000.0 616.3522 3900.0 632.4713 1900.0 633.3592 140000.0 633.475 1500.0 634.3622 21000.0 END IONS BEGIN IONS SCANS=38 PEPMASS=633.4537 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7300.0 120.0808 1800.0 184.073 5100.0 302.1857 1400.0 303.1697 8500.0 304.1732 2100.0 308.1383 2700.0 344.1961 8500.0 345.2 3500.0 491.3731 2500.0 492.3757 1900.0 533.2744 3000.0 534.2775 2700.0 632.4336 1300.0 632.4709 5000.0 633.3389 6400.0 633.4537 240000.0 634.3422 1200.0 634.457 31000.0 END IONS BEGIN IONS SCANS=39 PEPMASS=634.3929 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2800.0 169.1335 9600.0 185.1649 1300.0 197.1283 21000.0 213.1597 6000.0 226.1183 52000.0 227.1219 1500.0 296.1969 1500.0 310.212 19000.0 311.2156 1100.0 381.2855 9000.0 409.2801 24000.0 410.2835 2100.0 422.239 26000.0 423.2422 2200.0 535.3234 1000.0 634.3902 3900.0 END IONS BEGIN IONS SCANS=40 PEPMASS=634.3931 CHARGE=1 COLLISION_ENERGY=0.0 70.0657 2500.0 169.1333 8700.0 185.1646 1400.0 197.1284 20000.0 213.1597 4700.0 226.1184 41000.0 227.1216 1100.0 296.1964 1500.0 310.2119 18000.0 311.2158 1200.0 381.2852 9700.0 409.2801 20000.0 410.2837 1700.0 422.239 25000.0 423.2421 1800.0 535.3228 1200.0 634.3903 2500.0 END IONS BEGIN IONS SCANS=41 PEPMASS=634.4522 CHARGE=1 COLLISION_ENERGY=0.0 57.0704 1600.0 71.086 5900.0 85.1017 5000.0 87.0445 5800.0 89.0601 40000.0 91.5079 1400.0 121.0648 1200.0 131.0702 5300.0 133.0858 58000.0 134.0891 1100.0 147.0808 1700.0 165.0908 5200.0 167.1069 1400.0 175.0962 5200.0 177.1119 27000.0 184.0732 10000.0 191.1057 2300.0 209.1172 4800.0 211.1327 2500.0 219.1224 1100.0 221.1381 7000.0 235.1326 2200.0 239.1484 1500.0 247.2052 7100.0 253.1424 1600.0 255.1585 2000.0 265.1635 2300.0 273.2208 3400.0 279.1583 1600.0 283.1743 2900.0 289.252 1100.0 291.231 27000.0 292.2343 1800.0 299.1852 1500.0 309.1907 1300.0 317.2463 2800.0 335.2572 11000.0 403.2319 1300.0 447.2588 1300.0 491.2841 9100.0 492.2882 1200.0 492.3752 6900.0 493.3898 6000.0 493.4237 4800.0 494.3919 1300.0 494.4272 1000.0 529.3724 1300.0 573.3983 1700.0 617.4247 30000.0 618.4284 5100.0 633.475 4600.0 634.4509 23000.0 634.5027 3100.0 635.4529 2900.0 END IONS BEGIN IONS SCANS=42 PEPMASS=636.3389 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 636.3381 1100.0 END IONS BEGIN IONS SCANS=43 PEPMASS=636.3391 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 636.3381 1100.0 END IONS BEGIN IONS SCANS=44 PEPMASS=636.3392 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 636.3381 1100.0 END IONS BEGIN IONS SCANS=45 PEPMASS=636.3393 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 2900.0 116.0707 2600.0 233.1281 9700.0 233.1644 1800.0 234.1316 1100.0 261.1229 36000.0 261.1589 3900.0 262.1253 1600.0 279.1335 1600.0 358.2118 4500.0 376.186 36000.0 377.1888 1900.0 379.2015 1400.0 493.2805 2800.0 521.2755 3100.0 636.3381 1100.0 END IONS BEGIN IONS SCANS=46 PEPMASS=636.4234 CHARGE=1 COLLISION_ENERGY=0.0 81.0702 1100.0 95.0857 1500.0 133.086 1100.0 147.1166 1300.0 165.127 1400.0 183.1377 1900.0 184.0731 7900.0 201.1488 1400.0 208.1701 1800.0 226.1804 3300.0 239.2367 2500.0 257.174 3000.0 306.1456 3200.0 313.2731 3000.0 324.1568 1200.0 337.1407 1000.0 362.1715 2600.0 380.1824 7400.0 495.4034 270000.0 495.44 13000.0 496.4066 32000.0 496.4426 1500.0 549.3742 1600.0 618.4112 35000.0 619.4145 4500.0 636.4189 2300.0 636.4456 5400.0 636.5182 21000.0 637.5222 2500.0 END IONS BEGIN IONS SCANS=47 PEPMASS=637.33 CHARGE=1 COLLISION_ENERGY=0.0 508.2882 1400.0 637.3309 180000.0 638.3337 22000.0 END IONS BEGIN IONS SCANS=48 PEPMASS=637.3298 CHARGE=1 COLLISION_ENERGY=0.0 508.2883 1700.0 536.2831 1500.0 545.2819 1300.0 619.3323 1200.0 637.3304 290000.0 638.3329 38000.0 END IONS BEGIN IONS SCANS=49 PEPMASS=640.4775 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1200.0 337.2727 3600.0 368.1598 2400.0 369.1635 1400.0 384.2368 1700.0 402.2476 4600.0 456.3665 1200.0 474.3779 7200.0 538.2925 1100.0 556.3026 2700.0 640.477 360000.0 641.4802 51000.0 END IONS BEGIN IONS SCANS=50 PEPMASS=640.478 CHARGE=1 COLLISION_ENERGY=0.0 50.2904 1400.0 52.4533 1300.0 52.4873 1200.0 56.8875 1300.0 57.0683 1300.0 62.3395 1300.0 62.6255 1300.0 68.2397 1500.0 71.2004 2400.0 72.1911 1700.0 74.7606 1400.0 74.9327 1500.0 75.2505 1600.0 77.1714 1500.0 82.4598 1500.0 91.5062 4000.0 94.2694 1400.0 94.7267 1600.0 99.1587 1800.0 113.3143 1500.0 114.5453 1500.0 114.7214 1700.0 118.2187 1600.0 143.7209 1800.0 146.4247 1600.0 160.2435 2700.0 171.2816 1600.0 176.8745 1600.0 183.7225 1700.0 188.4738 1900.0 188.8591 1600.0 190.2191 1400.0 202.716 1500.0 203.0769 1500.0 213.5742 1700.0 215.6905 1400.0 216.8376 1900.0 236.1493 5500.0 239.4768 1600.0 330.8554 1900.0 348.915 1700.0 363.5516 1900.0 384.236 8400.0 402.248 26000.0 403.2522 2400.0 408.4736 1800.0 456.3688 4200.0 458.7256 1600.0 469.7555 1900.0 474.3782 34000.0 475.3814 3000.0 569.186 2100.0 587.3431 2200.0 588.2084 1800.0 593.3725 2200.0 639.4748 2400.0 639.5381 3700.0 640.4773 1600000.0 641.4806 250000.0 661.5648 2100.0 END IONS BEGIN IONS SCANS=51 PEPMASS=646.36 CHARGE=1 COLLISION_ENERGY=0.0 72.0815 2500.0 86.0968 230000.0 87.1002 2200.0 120.0775 1100.0 120.0809 16000.0 162.0909 1300.0 169.1326 1000.0 176.1071 2400.0 184.0731 2600.0 204.1016 11000.0 231.1124 25000.0 232.1163 1400.0 233.1645 5600.0 261.1589 3000.0 275.1744 3600.0 289.1902 4700.0 302.1854 4200.0 303.1698 94000.0 304.1729 4600.0 316.2018 2300.0 317.1855 140000.0 318.1892 5700.0 330.1807 2600.0 344.1964 360000.0 345.1994 22000.0 415.269 5500.0 429.2852 2100.0 436.2575 2500.0 443.2657 1800.0 450.2377 4700.0 464.2532 7500.0 515.2638 2100.0 520.5071 2000.0 529.28 2300.0 533.2747 45000.0 534.2776 5600.0 547.2903 52000.0 548.294 6200.0 572.4135 1200.0 618.3641 12000.0 619.3667 2500.0 645.4749 7600.0 646.3583 4500.0 646.4514 17000.0 646.4791 2600.0 647.4527 2300.0 END IONS BEGIN IONS SCANS=52 PEPMASS=647.3408 CHARGE=1 COLLISION_ENERGY=0.0 88.0761 2100.0 89.0601 1700.0 91.508 1500.0 133.0857 2200.0 177.112 1100.0 184.0734 3100.0 344.1955 1100.0 521.5113 1100.0 523.4194 4100.0 568.4772 13000.0 628.4407 1100.0 646.4509 13000.0 646.4788 3200.0 647.34 550000.0 647.4536 9200.0 648.3431 63000.0 END IONS BEGIN IONS SCANS=53 PEPMASS=647.3753 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1400.0 120.081 1100.0 171.1125 1200.0 261.1593 2700.0 272.1595 2600.0 330.1807 1500.0 344.1957 8000.0 348.191 1000.0 362.2062 3900.0 367.2325 1600.0 385.2434 2700.0 389.2541 1100.0 415.2331 2800.0 415.2693 2400.0 419.2282 1400.0 433.2441 1700.0 433.28 2000.0 443.2645 9400.0 444.268 1200.0 461.2753 3600.0 487.2904 1100.0 504.3174 2900.0 514.3015 4600.0 532.3115 3800.0 647.3145 14000.0 647.3731 2600.0 648.3189 2500.0 END IONS BEGIN IONS SCANS=54 PEPMASS=650.3539 CHARGE=1 COLLISION_ENERGY=0.0 51.3027 3200.0 52.1579 3300.0 52.9175 3100.0 54.1248 3400.0 54.1692 3600.0 54.3879 3500.0 59.0384 3300.0 63.0593 3400.0 64.6346 3700.0 66.3511 3600.0 66.7552 3600.0 66.973 3600.0 67.241 3600.0 72.0812 20000.0 72.8627 3700.0 74.221 5900.0 81.4893 4800.0 82.9732 5100.0 85.4811 3900.0 86.041 3600.0 86.0968 460000.0 86.6196 3600.0 86.9205 3500.0 87.1001 5900.0 87.1143 4400.0 87.122 3800.0 87.929 3400.0 87.99 4100.0 89.688 3900.0 91.131 3400.0 92.8714 4000.0 94.0404 3800.0 98.223 4000.0 102.3834 3500.0 112.7068 3900.0 120.0808 100000.0 145.5442 4100.0 155.1178 4900.0 162.0903 6000.0 179.197 4700.0 183.8957 4000.0 190.0858 7200.0 201.1227 4300.0 203.0609 4600.0 221.1276 14000.0 231.1124 81000.0 233.1644 21000.0 249.1227 33000.0 261.1593 30000.0 275.1747 30000.0 275.8287 4200.0 276.1696 9700.0 302.1857 7800.0 303.1699 1200000.0 304.1731 57000.0 318.1806 26000.0 320.196 8200.0 330.1807 28000.0 344.1963 820000.0 345.2 47000.0 348.191 9300.0 349.4521 4500.0 362.2064 54000.0 385.4682 4300.0 389.2533 12000.0 415.2688 9500.0 422.2431 49000.0 433.2798 8600.0 443.2639 28000.0 450.2379 420000.0 451.2411 42000.0 462.0992 4600.0 505.2801 13000.0 507.2593 84000.0 508.2621 11000.0 515.2636 6600.0 523.2905 16000.0 533.2747 770000.0 534.2783 95000.0 551.2848 130000.0 552.2866 7400.0 604.3487 15000.0 614.3309 6800.0 632.3434 81000.0 633.345 9800.0 650.3524 7300.0 END IONS BEGIN IONS SCANS=55 PEPMASS=650.3543 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1100.0 86.0968 44000.0 91.508 1200.0 120.0807 9200.0 184.0729 3200.0 190.0857 1200.0 231.1124 7900.0 233.1647 1400.0 249.1227 2900.0 261.1592 2700.0 275.1747 2500.0 303.1698 110000.0 304.1734 4700.0 318.1808 1400.0 330.1805 2300.0 344.1963 53000.0 345.1992 2700.0 348.1917 2400.0 355.0694 1300.0 359.028 2000.0 362.2061 3600.0 422.2428 4700.0 429.0876 3100.0 443.264 1200.0 450.2377 32000.0 451.2416 3000.0 505.28 1100.0 507.2596 5600.0 508.2625 1100.0 515.2648 1200.0 533.2748 65000.0 534.2777 7800.0 551.2852 12000.0 552.2886 1200.0 563.3906 2600.0 604.3481 1600.0 632.3425 6700.0 633.3452 1600.0 650.353 1800.0 650.46 6900.0 650.4965 1600.0 650.534 1900.0 651.4631 1100.0 END IONS BEGIN IONS SCANS=56 PEPMASS=651.3719 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 191.1026 1200.0 201.1237 1600.0 233.1645 1300.0 239.0946 1300.0 261.1592 5000.0 272.1599 2800.0 330.1809 1300.0 344.1963 13000.0 355.0695 2500.0 359.0275 4000.0 362.2067 7700.0 373.2073 2600.0 385.2432 1500.0 391.2182 1900.0 415.2333 1500.0 415.2697 4600.0 417.2493 1600.0 419.2278 1200.0 429.0878 4600.0 433.2805 5800.0 443.2646 26000.0 444.2679 3000.0 461.2747 9600.0 462.2779 1100.0 504.3175 2600.0 514.3008 4200.0 532.3122 4600.0 538.2852 1100.0 633.3592 4000.0 634.3617 1000.0 651.3704 11000.0 652.3735 1900.0 END IONS BEGIN IONS SCANS=57 PEPMASS=651.3712 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1300.0 191.1026 1200.0 201.1238 1700.0 233.1644 1400.0 239.0947 1200.0 261.159 3900.0 272.1599 2700.0 344.1962 7500.0 355.0689 2500.0 359.028 3600.0 362.2062 4200.0 373.2078 1700.0 389.254 1400.0 391.2177 2300.0 415.2333 1900.0 415.2694 3500.0 417.2493 1200.0 419.2283 1200.0 429.0878 5000.0 430.0887 1300.0 433.2803 4600.0 443.2644 15000.0 444.269 1500.0 461.2749 6500.0 487.2903 1300.0 504.317 1900.0 514.3008 3700.0 532.3115 3400.0 633.3599 2700.0 651.3699 22000.0 652.3726 4300.0 END IONS BEGIN IONS SCANS=58 PEPMASS=652.4122 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1600.0 89.0602 4000.0 133.0858 4600.0 169.1336 3300.0 177.1123 3000.0 197.1283 4900.0 213.1592 2000.0 244.1289 70000.0 245.1319 1900.0 310.2119 7300.0 359.028 1700.0 360.0279 1200.0 381.2852 3300.0 409.2802 8800.0 429.0885 1200.0 430.0884 1200.0 440.2498 25000.0 441.2533 1800.0 635.3842 1600.0 652.4012 3900.0 END IONS BEGIN IONS SCANS=59 PEPMASS=652.4041 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1600.0 89.0602 4000.0 133.0858 4600.0 169.1336 3300.0 177.1123 3000.0 197.1283 4900.0 213.1592 2000.0 244.1289 70000.0 245.1319 1900.0 310.2119 7300.0 359.028 1700.0 360.0279 1200.0 381.2852 3300.0 409.2802 8800.0 429.0885 1200.0 430.0884 1200.0 440.2498 25000.0 441.2533 1800.0 635.3842 1600.0 652.4012 3900.0 END IONS BEGIN IONS SCANS=60 PEPMASS=654.4937 CHARGE=1 COLLISION_ENERGY=0.0 184.0735 1300.0 338.2658 8600.0 339.2699 2200.0 390.248 4200.0 416.2636 3500.0 456.3683 1000.0 474.3779 5400.0 500.393 4000.0 512.402 2300.0 513.4047 1500.0 653.4798 20000.0 654.4924 420000.0 655.4958 58000.0 END IONS BEGIN IONS SCANS=61 PEPMASS=655.3815 CHARGE=1 COLLISION_ENERGY=0.0 126.1276 3000.0 184.0732 1100.0 236.1491 1000.0 273.1955 14000.0 274.1996 1100.0 301.1904 17000.0 302.1945 1400.0 338.1708 1000.0 344.1961 1900.0 355.1968 1700.0 384.2273 31000.0 385.2307 2400.0 390.2469 1600.0 402.2379 4600.0 415.2701 1100.0 416.263 2000.0 443.2643 4200.0 455.3007 6500.0 473.3113 1600.0 474.3775 3700.0 483.2956 23000.0 484.2986 3300.0 485.2746 4000.0 500.3937 2200.0 501.3059 3700.0 514.3024 1700.0 542.296 2100.0 554.3326 3500.0 556.3122 3800.0 556.3466 2000.0 584.3423 3000.0 627.3853 3100.0 638.4984 3100.0 654.4926 130000.0 655.3804 33000.0 655.4621 3200.0 655.4959 110000.0 656.3842 5000.0 656.4357 1500.0 656.4716 8900.0 656.5073 44000.0 END IONS BEGIN IONS SCANS=62 PEPMASS=657.3598 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2300.0 120.0809 17000.0 128.1066 1000.0 156.1016 1700.0 171.1124 1400.0 183.1125 1600.0 201.1233 5000.0 221.1283 2800.0 231.1126 19000.0 232.1159 1200.0 254.1492 2900.0 267.1331 1700.0 272.1595 1100.0 302.186 1800.0 303.1697 17000.0 304.1738 1000.0 310.1758 1500.0 330.1804 11000.0 331.1836 1200.0 332.1599 2500.0 337.1859 2800.0 338.1703 2900.0 355.197 11000.0 358.2119 1700.0 360.1908 7500.0 368.1963 1000.0 373.2228 1700.0 376.2224 4500.0 383.1919 1800.0 385.1857 1000.0 386.2067 150000.0 387.2103 13000.0 401.2178 6200.0 403.1977 1400.0 403.2332 1300.0 404.2171 17000.0 405.2202 1800.0 413.2177 2300.0 431.2284 4100.0 457.2439 1400.0 457.2798 7700.0 459.2587 2000.0 474.2705 2400.0 484.2545 4000.0 485.2751 62000.0 486.2783 7400.0 487.254 4800.0 502.2649 15000.0 503.268 1200.0 503.2862 2000.0 556.3116 6400.0 557.3156 1100.0 558.291 1100.0 629.364 2300.0 639.2313 1500.0 639.3499 2400.0 648.2374 2100.0 648.7399 1700.0 656.4711 1200.0 656.5076 6300.0 657.2417 5700.0 657.5114 4700.0 657.7431 6000.0 658.2407 1400.0 END IONS BEGIN IONS SCANS=63 PEPMASS=657.3593 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1800.0 86.0968 16000.0 171.1126 1500.0 173.1279 1200.0 190.0857 1500.0 197.1284 7600.0 201.1232 3000.0 215.1394 1100.0 254.1493 1700.0 267.1335 1200.0 296.1964 4900.0 298.1759 1100.0 303.1699 19000.0 304.1736 1200.0 337.1861 1700.0 338.1701 2000.0 355.1967 8600.0 358.2119 1600.0 360.191 4200.0 367.2332 2900.0 376.2223 2100.0 386.2068 100000.0 387.2102 7900.0 404.217 15000.0 405.22 1100.0 431.2647 1100.0 440.287 1000.0 450.2704 2200.0 457.2804 6100.0 468.2808 7600.0 485.275 50000.0 486.2787 4900.0 487.2544 3300.0 503.2859 2300.0 556.3118 7200.0 639.232 1100.0 639.3498 3100.0 648.2375 2300.0 648.7363 1900.0 656.471 2000.0 656.5076 10000.0 657.2419 5900.0 657.3613 1500.0 657.4755 1300.0 657.5118 9900.0 657.7423 5400.0 658.2398 1200.0 658.4854 1300.0 END IONS BEGIN IONS SCANS=64 PEPMASS=657.3589 CHARGE=1 COLLISION_ENERGY=0.0 50.4842 1600.0 52.9267 1700.0 53.0467 1700.0 53.0585 1600.0 54.0766 1800.0 55.737 1500.0 57.425 1500.0 57.5367 1700.0 66.1881 1600.0 68.1821 1500.0 68.6853 1900.0 71.1305 1700.0 71.9767 1500.0 72.0812 12000.0 74.0604 3200.0 74.0934 1600.0 75.6376 2200.0 78.901 1900.0 79.9595 1700.0 86.0966 6100.0 91.5082 5900.0 98.6721 1800.0 104.4872 2300.0 105.2542 2000.0 107.8763 2300.0 112.6455 1700.0 114.4287 2000.0 120.0775 4100.0 120.0807 100000.0 125.6439 2100.0 127.9269 1800.0 128.1036 2000.0 128.1069 7300.0 136.1892 2100.0 138.2908 1800.0 155.1171 2500.0 156.101 9900.0 159.8735 1900.0 160.8365 2000.0 163.0733 1800.0 165.1019 3800.0 169.8912 1800.0 171.1125 12000.0 173.1281 7600.0 178.8241 2100.0 183.1124 7600.0 192.8943 2500.0 194.3626 2200.0 194.7342 2200.0 199.9188 1900.0 201.1231 20000.0 211.1082 2300.0 214.8037 2000.0 218.7718 1900.0 218.8449 1900.0 220.9198 1800.0 221.1285 21000.0 231.1125 87000.0 232.116 4000.0 248.1385 3200.0 249.1229 8400.0 254.1494 12000.0 266.1494 3400.0 267.1332 7800.0 272.1597 6200.0 276.1702 3200.0 279.1514 2200.0 282.1444 3500.0 284.1593 2500.0 285.1591 3800.0 302.1496 2800.0 302.1857 8300.0 303.1697 130000.0 304.1644 2100.0 304.1732 4700.0 309.1909 4600.0 310.1757 7100.0 320.1965 7400.0 327.202 2500.0 330.1803 68000.0 331.1834 3400.0 332.1596 14000.0 337.1863 13000.0 338.1696 12000.0 347.2073 3700.0 348.1907 2500.0 355.1966 71000.0 356.1993 4500.0 358.2122 15000.0 360.1908 43000.0 361.1947 4500.0 368.1974 2800.0 373.2227 7700.0 376.2223 21000.0 383.1917 12000.0 385.1863 6100.0 386.2066 870000.0 387.2102 61000.0 401.2177 38000.0 402.2218 4500.0 403.1976 6700.0 403.2337 9900.0 404.2172 120000.0 405.2207 7900.0 413.218 13000.0 418.1842 2200.0 431.2279 18000.0 431.265 4000.0 450.3435 2100.0 457.2442 7600.0 457.2798 49000.0 458.2842 3600.0 459.2597 12000.0 474.2704 11000.0 475.2921 4700.0 476.0933 2300.0 484.2544 22000.0 485.275 430000.0 486.2783 48000.0 487.2541 24000.0 488.2574 3000.0 502.2648 100000.0 502.3022 3200.0 503.2673 10000.0 503.2856 21000.0 505.1018 2100.0 556.3115 52000.0 557.314 5800.0 558.2901 3900.0 568.3129 2500.0 586.3232 5500.0 629.3638 10000.0 639.3478 18000.0 639.7307 2700.0 647.9834 2300.0 648.2407 2700.0 649.231 2300.0 656.4697 3900.0 656.5081 12000.0 657.2388 2400.0 657.3598 6300.0 657.5098 8000.0 663.374 2100.0 END IONS BEGIN IONS SCANS=65 PEPMASS=657.3599 CHARGE=1 COLLISION_ENERGY=0.0 56.0227 1000.0 59.52 1000.0 72.0812 13000.0 72.0823 1900.0 75.0274 1200.0 79.4117 1200.0 82.6348 1100.0 82.6439 1300.0 86.0968 110000.0 87.0999 1200.0 96.8566 1100.0 107.8764 2000.0 120.0802 5200.0 120.6697 1100.0 131.1177 1000.0 133.8276 1000.0 133.8357 1200.0 139.0864 2000.0 140.7757 1300.0 143.3077 1100.0 155.1175 2200.0 162.0909 5900.0 169.1328 1200.0 171.1129 9500.0 173.0913 1700.0 173.1284 6800.0 183.1124 11000.0 187.1439 1900.0 190.0859 15000.0 191.4374 1100.0 197.1283 47000.0 198.1316 2600.0 201.1232 13000.0 209.1282 1500.0 210.1232 1500.0 211.1079 2200.0 214.1554 1700.0 215.1392 3900.0 227.1389 2300.0 228.134 2400.0 231.1124 1700.0 239.1381 2100.0 254.1492 9800.0 258.8015 1100.0 266.1492 2700.0 267.1334 11000.0 268.2007 4700.0 272.16 4800.0 275.1743 5700.0 282.144 3000.0 284.16 2100.0 296.1963 44000.0 296.7637 1400.0 297.2 3100.0 298.1752 5800.0 303.1696 94000.0 304.1736 6100.0 306.7072 1100.0 309.1913 4600.0 310.175 6700.0 320.1961 3000.0 327.2025 3500.0 337.1858 14000.0 338.17 22000.0 339.1741 1500.0 339.238 3700.0 355.1966 59000.0 356.2003 2500.0 358.211 6900.0 359.6983 1100.0 360.1909 8900.0 361.1939 2000.0 367.2332 27000.0 368.1955 2000.0 368.2357 1900.0 369.2125 2100.0 376.222 5800.0 379.233 6600.0 379.7674 1400.0 380.1387 1100.0 383.1914 8400.0 386.2065 820000.0 387.21 65000.0 390.1451 1500.0 397.2434 5600.0 403.2332 4200.0 404.2172 46000.0 405.221 3200.0 431.2624 1500.0 440.2858 5400.0 450.271 6100.0 457.2442 1500.0 457.2796 47000.0 458.2831 4900.0 459.2596 1600.0 467.2635 1500.0 468.2807 49000.0 469.2841 5400.0 475.2907 1900.0 485.2749 450000.0 486.2784 52000.0 487.2537 31000.0 488.2572 4000.0 502.2652 1600.0 502.3012 2100.0 503.2842 8500.0 504.2882 1600.0 528.3165 1800.0 556.3115 55000.0 557.3149 7300.0 558.2912 6900.0 558.3262 3400.0 568.311 1400.0 586.321 8600.0 608.2303 1500.0 629.3632 6900.0 639.3487 8400.0 639.7295 1300.0 640.3527 2000.0 648.2371 3200.0 656.4745 2400.0 656.508 19000.0 657.2398 7900.0 657.3333 13000.0 657.3599 9100.0 657.4714 1200.0 657.4803 1500.0 657.5104 16000.0 657.7406 3500.0 658.3634 2300.0 658.449 1400.0 END IONS BEGIN IONS SCANS=66 PEPMASS=657.3603 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 1100.0 86.0965 4200.0 120.0803 1500.0 197.1281 2200.0 201.1225 1000.0 296.1965 2500.0 303.1699 5500.0 330.1805 1100.0 355.1968 4000.0 367.2326 1000.0 376.2217 1000.0 386.2065 46000.0 387.2103 3300.0 404.2173 4000.0 429.2857 4300.0 430.2887 2000.0 457.28 3100.0 468.2805 2700.0 474.3775 1500.0 485.2746 25000.0 486.2777 3500.0 487.2533 1600.0 556.3115 3100.0 630.226 1300.0 638.4991 1400.0 639.2317 1000.0 639.5016 1000.0 639.7292 1000.0 648.2372 1500.0 648.7337 1000.0 656.4714 2800.0 656.5081 24000.0 657.2428 4800.0 657.3342 53000.0 657.4753 3000.0 657.5116 17000.0 657.7407 3800.0 658.3379 8800.0 658.4519 1100.0 658.4875 1700.0 658.5148 1000.0 END IONS BEGIN IONS SCANS=67 PEPMASS=657.3594 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 1100.0 86.0965 4200.0 120.0803 1500.0 197.1281 2200.0 201.1225 1000.0 296.1965 2500.0 303.1699 5500.0 330.1805 1100.0 355.1968 4000.0 367.2326 1000.0 376.2217 1000.0 386.2065 46000.0 387.2103 3300.0 404.2173 4000.0 429.2857 4300.0 430.2887 2000.0 457.28 3100.0 468.2805 2700.0 474.3775 1500.0 485.2746 25000.0 486.2777 3500.0 487.2533 1600.0 556.3115 3100.0 630.226 1300.0 638.4991 1400.0 639.2317 1000.0 639.5016 1000.0 639.7292 1000.0 648.2372 1500.0 648.7337 1000.0 656.4714 2800.0 656.5081 24000.0 657.2428 4800.0 657.3342 53000.0 657.4753 3000.0 657.5116 17000.0 657.7407 3800.0 658.3379 8800.0 658.4519 1100.0 658.4875 1700.0 658.5148 1000.0 END IONS BEGIN IONS SCANS=68 PEPMASS=658.5101 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 2200.0 87.0445 3600.0 89.0601 81000.0 117.0911 4300.0 131.0704 3500.0 133.0858 120000.0 134.0894 1400.0 175.0965 2600.0 175.1323 1200.0 177.1118 61000.0 184.0732 1600.0 221.1382 14000.0 239.1487 3600.0 265.164 4700.0 282.2785 1400.0 283.1743 5600.0 283.2819 1100.0 309.1893 3200.0 327.2004 4200.0 353.2159 2700.0 371.2267 5900.0 415.2526 16000.0 416.2556 3100.0 459.279 87000.0 460.282 7100.0 517.3856 2300.0 615.3621 1400.0 621.5994 1100.0 639.6104 8300.0 640.3937 2000.0 640.6135 3200.0 641.4821 2300.0 657.4755 1700.0 657.5109 12000.0 657.6194 1400.0 658.4033 1600.0 658.4503 6700.0 658.4852 6000.0 658.5097 21000.0 659.4528 1400.0 659.4882 1000.0 659.5144 2300.0 END IONS BEGIN IONS SCANS=69 PEPMASS=659.2703 CHARGE=1 COLLISION_ENERGY=0.0 75.0445 1200.0 93.055 5600.0 106.0654 14000.0 132.0441 1300.0 150.0551 2000.0 199.123 1200.0 224.0916 4400.0 225.102 46000.0 226.1055 1700.0 243.1124 1100.0 299.1379 1800.0 317.1489 15000.0 318.1529 1000.0 343.1279 4000.0 475.1757 2900.0 493.1858 7400.0 541.2437 2200.0 549.21 1100.0 567.2223 15000.0 568.2259 1500.0 641.2589 7300.0 658.4512 1100.0 659.2697 1100.0 END IONS BEGIN IONS SCANS=70 PEPMASS=659.2701 CHARGE=1 COLLISION_ENERGY=0.0 75.0445 1200.0 93.055 5600.0 106.0654 14000.0 132.0441 1300.0 150.0551 2000.0 199.123 1200.0 224.0916 4400.0 225.102 46000.0 226.1055 1700.0 243.1124 1100.0 299.1379 1800.0 317.1489 15000.0 318.1529 1000.0 343.1279 4000.0 475.1757 2900.0 493.1858 7400.0 541.2437 2200.0 549.21 1100.0 567.2223 15000.0 568.2259 1500.0 641.2589 7300.0 658.4512 1100.0 659.2697 1100.0 END IONS BEGIN IONS SCANS=71 PEPMASS=661.3325 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1100.0 106.0654 1100.0 217.1333 2300.0 235.1436 1400.0 245.128 9200.0 254.1494 2400.0 263.1386 1500.0 360.1906 1300.0 371.2066 2200.0 386.206 2100.0 389.2176 3000.0 399.2017 14000.0 400.2053 1400.0 408.191 1200.0 417.2128 5300.0 498.2713 2100.0 562.2644 1100.0 633.338 4900.0 661.3326 9000.0 662.3342 1100.0 END IONS BEGIN IONS SCANS=72 PEPMASS=664.4626 CHARGE=1 COLLISION_ENERGY=0.0 57.0705 3000.0 87.0445 3600.0 89.0601 14000.0 121.065 1000.0 131.0701 3000.0 133.0859 23000.0 165.0909 3000.0 175.0965 3200.0 177.112 14000.0 184.073 4500.0 191.1064 1500.0 209.1172 1400.0 211.133 1500.0 221.1377 3700.0 233.1898 2500.0 235.1327 1600.0 253.143 1100.0 255.1587 1400.0 259.205 2300.0 265.165 1700.0 277.2156 13000.0 283.1744 1200.0 303.2312 1700.0 309.1909 1200.0 321.2417 5400.0 522.4229 4200.0 522.4572 1600.0 523.4262 1400.0 523.4719 6300.0 524.4742 1100.0 535.3109 5500.0 576.394 1400.0 603.4084 1000.0 647.4352 18000.0 648.4384 3400.0 663.4641 2600.0 663.5025 1400.0 664.4616 16000.0 664.5146 1200.0 664.549 2500.0 665.4618 1900.0 END IONS BEGIN IONS SCANS=73 PEPMASS=665.3868 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1400.0 187.1075 1400.0 205.1185 1100.0 261.1591 3800.0 272.1601 1100.0 344.1961 9100.0 362.2065 4800.0 387.2234 1100.0 389.2532 1200.0 415.2693 2600.0 419.228 1100.0 433.2803 3000.0 443.2646 17000.0 444.2691 1500.0 461.2749 5700.0 504.3181 1800.0 514.3011 3600.0 532.3119 3300.0 647.3746 3200.0 665.3857 6000.0 666.3884 1000.0 END IONS BEGIN IONS SCANS=74 PEPMASS=665.3863 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7600.0 120.0808 2100.0 173.1287 1000.0 187.1075 1200.0 205.1176 2000.0 231.1126 1500.0 233.1643 1400.0 261.1591 4600.0 272.16 2500.0 286.1759 1400.0 303.1694 4600.0 304.1736 1300.0 317.1852 9500.0 318.189 2300.0 330.1805 1300.0 344.1961 24000.0 345.1995 4500.0 348.1919 1000.0 362.2067 6400.0 367.2336 1500.0 385.2439 1400.0 387.2231 2100.0 389.254 1700.0 405.2337 1400.0 415.2326 1300.0 415.2692 4000.0 417.2486 1200.0 419.2276 1300.0 433.2804 5000.0 443.2645 20000.0 444.2671 1500.0 450.2383 2300.0 451.2408 1200.0 461.2749 7600.0 464.2538 2500.0 465.2565 1400.0 487.2902 1200.0 504.3175 2400.0 514.3018 4400.0 532.3121 4200.0 533.2746 2700.0 534.2776 1800.0 547.2897 4200.0 548.2933 3000.0 647.3766 6200.0 665.3257 12000.0 665.3847 25000.0 666.3281 1500.0 666.3881 2700.0 666.4924 3900.0 END IONS BEGIN IONS SCANS=75 PEPMASS=670.4283 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 1300.0 296.1963 1200.0 342.1805 1400.0 375.2387 1100.0 455.264 4000.0 472.2909 93000.0 473.2946 7300.0 653.4 5200.0 670.4265 2100.0 670.4865 1100.0 END IONS BEGIN IONS SCANS=76 PEPMASS=671.4117 CHARGE=1 COLLISION_ENERGY=0.0 70.0644 1400.0 70.0657 8700.0 120.0809 1900.0 171.1489 1000.0 195.1129 2100.0 199.1442 7800.0 225.1234 1100.0 245.1283 2500.0 279.1696 3800.0 296.1963 6400.0 342.1803 6700.0 360.1914 4600.0 376.2224 13000.0 393.2487 2000.0 472.2634 1100.0 473.2752 660000.0 474.2786 60000.0 540.3167 1400.0 572.3433 2900.0 653.4019 1500.0 670.4867 1500.0 671.4115 6300.0 671.4911 1300.0 END IONS BEGIN IONS SCANS=77 PEPMASS=672.5258 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 3000.0 89.0601 70000.0 117.0911 1400.0 130.0862 1400.0 131.0703 2500.0 133.0858 100000.0 134.0893 1600.0 175.0965 2600.0 177.1119 49000.0 178.1151 1800.0 221.1381 12000.0 239.1488 2600.0 265.1641 3400.0 283.1747 3800.0 309.1905 2300.0 327.2007 3100.0 353.2168 2300.0 371.2267 5600.0 415.2528 17000.0 416.2562 4100.0 459.2791 67000.0 460.2822 4500.0 672.5247 14000.0 673.5279 1900.0 END IONS BEGIN IONS SCANS=78 PEPMASS=675.3703 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 5500.0 171.1124 1600.0 190.086 1100.0 197.1283 3900.0 272.1596 3100.0 290.1697 1500.0 296.1961 2400.0 303.1695 3900.0 367.2328 1900.0 373.2077 3000.0 386.2064 43000.0 387.2099 2800.0 404.217 4700.0 457.2798 4700.0 468.2793 1600.0 485.2748 23000.0 486.2772 1600.0 486.2927 4400.0 503.2856 4000.0 505.2633 1500.0 556.3114 5400.0 574.3217 2900.0 604.3317 1000.0 647.3737 1500.0 657.3597 5600.0 675.3702 3200.0 END IONS BEGIN IONS SCANS=79 PEPMASS=679.3417 CHARGE=1 COLLISION_ENERGY=0.0 479.2622 1400.0 550.299 5300.0 578.2932 3200.0 635.3519 1400.0 661.3314 1200.0 678.4923 1900.0 679.3411 850000.0 680.3442 130000.0 END IONS BEGIN IONS SCANS=80 PEPMASS=682.4888 CHARGE=1 COLLISION_ENERGY=0.0 184.073 1300.0 236.149 1300.0 426.247 2100.0 444.258 5600.0 456.3653 1900.0 474.3779 9900.0 604.4924 3000.0 664.4764 3900.0 664.5139 1500.0 681.4758 3100.0 681.5112 8900.0 682.4875 360000.0 682.5189 18000.0 683.4907 49000.0 683.5248 2100.0 END IONS BEGIN IONS SCANS=81 PEPMASS=691.3439 CHARGE=1 COLLISION_ENERGY=0.0 51.8582 5700.0 52.6929 6700.0 54.758 5600.0 55.3347 5700.0 55.5448 5800.0 56.095 6300.0 57.7358 6300.0 61.4451 5700.0 61.6374 6500.0 63.4213 6500.0 64.5033 5700.0 65.4716 5800.0 65.7004 7500.0 72.0811 15000.0 72.0816 14000.0 80.6258 10000.0 87.1856 6900.0 88.4476 6300.0 90.7667 7000.0 91.8264 6200.0 93.318 6900.0 93.8091 8400.0 102.9529 7400.0 105.9845 8100.0 110.5476 7000.0 111.0021 7900.0 112.4252 7000.0 120.0808 280000.0 121.3867 7200.0 124.6584 6700.0 132.1714 6900.0 148.595 6800.0 152.4139 7400.0 153.8867 6600.0 155.118 7800.0 159.0269 7500.0 162.091 12000.0 168.5145 7300.0 171.1126 24000.0 173.1282 14000.0 179.2382 7500.0 183.1123 8000.0 190.0859 32000.0 201.1235 41000.0 206.2714 6900.0 219.5526 7200.0 221.1286 50000.0 229.2143 7900.0 231.1124 280000.0 232.1157 18000.0 239.2703 7500.0 245.7665 7800.0 249.1233 22000.0 254.1498 28000.0 266.1494 12000.0 267.1334 7900.0 272.1609 11000.0 276.1697 8400.0 278.8682 7100.0 302.1859 28000.0 303.9068 6900.0 309.191 11000.0 310.1762 12000.0 330.1803 140000.0 332.16 24000.0 337.1538 320000.0 337.1861 43000.0 338.1575 16000.0 338.1705 32000.0 355.1968 110000.0 373.2242 12000.0 378.1766 7900.0 383.1924 27000.0 385.1864 10000.0 392.196 41000.0 394.1754 120000.0 395.1773 9600.0 401.2177 87000.0 402.1791 6800.0 405.7363 8600.0 410.2067 50000.0 413.2173 27000.0 414.7819 7400.0 420.1909 1900000.0 421.1943 180000.0 431.2285 37000.0 438.2015 250000.0 439.205 28000.0 460.0721 7500.0 465.2505 12000.0 474.2695 18000.0 484.2544 43000.0 491.2644 130000.0 492.2676 23000.0 493.2436 25000.0 497.1008 7700.0 501.2462 13000.0 502.2651 140000.0 503.2689 19000.0 509.2742 8100.0 519.2591 750000.0 520.262 99000.0 521.2391 56000.0 537.2698 27000.0 590.2968 97000.0 591.3007 15000.0 592.2771 11000.0 598.9528 9400.0 609.2343 7800.0 654.9482 8300.0 662.6367 7800.0 663.3503 15000.0 664.8142 9000.0 673.3336 44000.0 691.3456 12000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=696.4067 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 86.097 1400.0 120.081 4700.0 201.1233 3800.0 221.1282 1600.0 231.1128 1600.0 233.1641 4300.0 247.1438 1900.0 249.1228 3200.0 261.1591 16000.0 262.1627 1100.0 272.1598 3500.0 289.186 3600.0 303.1695 1100.0 315.2068 1100.0 318.1808 1400.0 330.1804 11000.0 332.196 2000.0 344.1957 5300.0 348.1911 6800.0 360.2273 2600.0 362.2056 1700.0 363.205 2000.0 401.2181 3300.0 408.2274 12000.0 415.2334 1100.0 415.2697 1300.0 416.2527 1600.0 419.2274 4500.0 432.2275 1400.0 433.2806 1200.0 436.2544 7700.0 443.2643 17000.0 444.2681 1300.0 450.2386 1800.0 451.2338 1400.0 461.2749 4100.0 462.276 1400.0 464.253 1600.0 477.2496 2100.0 479.2638 1100.0 481.2798 2600.0 491.2643 18000.0 492.2671 2400.0 495.2597 3700.0 507.2963 1300.0 509.275 14000.0 510.2781 1400.0 514.3011 6200.0 532.311 1800.0 533.3118 1100.0 536.3213 2000.0 545.3101 3600.0 548.2853 1900.0 562.3015 2300.0 562.3373 5900.0 563.3212 3600.0 564.3161 2900.0 566.2964 1500.0 580.3113 1300.0 580.3478 12000.0 581.3502 1000.0 590.3325 32000.0 591.3356 4100.0 608.3427 24000.0 609.3454 2600.0 616.3483 2100.0 633.3749 1400.0 634.3572 2200.0 651.385 3800.0 661.3691 13000.0 662.3722 1800.0 678.3951 1600.0 679.3801 6600.0 680.3841 1300.0 696.4064 16000.0 696.4673 1600.0 696.5028 2300.0 697.4101 2400.0 END IONS BEGIN IONS SCANS=83 PEPMASS=697.3911 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 2300.0 86.0967 1600.0 120.0808 13000.0 173.1283 1600.0 189.1232 4000.0 201.1233 8300.0 221.1283 3100.0 231.1125 4000.0 233.1645 9200.0 247.1436 3100.0 249.1228 7900.0 261.1592 45000.0 262.1628 2100.0 285.159 1200.0 290.1701 6600.0 303.1699 1100.0 315.2067 1900.0 330.1805 30000.0 331.1839 1400.0 344.1959 6900.0 348.1908 12000.0 360.2271 4700.0 362.2069 2400.0 363.2059 5300.0 398.2426 1000.0 408.2273 27000.0 409.2311 1900.0 415.2698 2700.0 416.2541 2500.0 417.2485 1100.0 419.2277 4900.0 432.2281 1600.0 433.2795 2200.0 437.2385 18000.0 438.242 1800.0 443.2644 29000.0 444.269 2300.0 450.2378 2700.0 461.2744 7600.0 462.2744 2900.0 463.2705 2000.0 464.2535 3800.0 465.2498 1600.0 467.2643 1400.0 477.2482 4200.0 481.2797 5800.0 489.2693 1100.0 491.2642 34000.0 492.2684 3800.0 495.2592 5500.0 507.2957 1500.0 509.2747 23000.0 510.2779 2600.0 536.3209 3200.0 545.3113 4800.0 550.3223 2900.0 562.3372 8700.0 563.3214 5200.0 563.3412 1000.0 564.3148 3800.0 580.348 19000.0 581.3519 2200.0 590.3322 49000.0 591.3354 7000.0 599.5007 2100.0 608.3428 31000.0 609.3455 4200.0 661.3685 1700.0 679.3801 5400.0 696.3178 2100.0 696.5014 1500.0 697.3166 1700.0 697.3903 25000.0 697.4726 1300.0 697.5059 1000.0 697.5349 3100.0 698.3943 2700.0 698.4832 2300.0 END IONS BEGIN IONS SCANS=84 PEPMASS=702.4178 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1400.0 86.0966 16000.0 86.0983 1400.0 120.08 1100.0 171.1121 2300.0 183.1125 2100.0 190.0852 2400.0 197.1282 5000.0 201.1227 1700.0 254.149 2200.0 267.1327 2200.0 272.1603 2600.0 275.1745 1100.0 296.1964 11000.0 298.176 1100.0 303.1696 27000.0 304.1722 1400.0 310.1747 1400.0 337.1866 5600.0 338.1698 9900.0 344.1962 1400.0 355.1964 30000.0 356.2003 1300.0 360.1904 2000.0 367.2332 6400.0 376.2229 1700.0 383.1911 2300.0 386.2064 160000.0 387.2102 11000.0 397.243 2500.0 404.2172 19000.0 430.1953 2000.0 440.2858 1700.0 450.2711 1800.0 457.2797 6300.0 459.2592 1100.0 468.2809 52000.0 469.2839 5400.0 475.2911 1000.0 485.2749 270000.0 486.278 29000.0 487.2544 10000.0 502.3022 1300.0 503.2849 21000.0 504.2881 1500.0 533.2749 2300.0 556.3114 26000.0 557.3156 2900.0 558.2898 3500.0 558.3285 1100.0 586.3226 13000.0 587.325 1100.0 612.339 1200.0 629.3646 7500.0 639.348 4800.0 657.3591 35000.0 658.3616 6700.0 701.5 1600.0 702.4777 1000.0 END IONS BEGIN IONS SCANS=85 PEPMASS=702.5366 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1500.0 87.0445 5900.0 89.0601 100000.0 117.0912 3100.0 130.086 1800.0 131.0703 4500.0 133.0858 150000.0 134.0894 2300.0 175.0961 4500.0 177.112 65000.0 178.1151 2000.0 183.2105 1300.0 184.073 5500.0 219.1225 1900.0 221.1381 17000.0 239.1485 3500.0 265.1636 6000.0 283.1743 6700.0 309.1899 5400.0 327.2002 3600.0 353.2165 3300.0 371.2263 3300.0 397.2427 1900.0 415.2526 6100.0 416.256 1100.0 459.2788 17000.0 460.2818 4600.0 485.2943 1100.0 503.3051 72000.0 504.3082 5100.0 561.4498 2500.0 561.4871 1400.0 685.5084 1600.0 701.4991 4000.0 702.4742 2300.0 702.5041 2200.0 702.5345 20000.0 703.5387 3100.0 END IONS BEGIN IONS SCANS=86 PEPMASS=705.36 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1400.0 120.0809 23000.0 171.1126 1500.0 176.1067 2000.0 201.1235 3200.0 204.1018 7100.0 221.1283 3800.0 231.1126 21000.0 249.1231 2300.0 254.1496 2400.0 267.1338 1000.0 302.1859 1500.0 330.1804 10000.0 332.1594 2300.0 337.1866 1500.0 338.1706 1800.0 351.1697 19000.0 352.1737 1900.0 355.1967 8000.0 373.2231 1100.0 383.1923 2600.0 387.2099 1400.0 401.2174 7200.0 406.2115 2200.0 408.1909 6300.0 413.2182 2000.0 424.2225 4000.0 431.228 2700.0 434.2068 120000.0 435.2101 10000.0 452.2171 14000.0 453.2204 1500.0 474.271 1600.0 484.2553 3700.0 486.2782 1900.0 487.2817 2000.0 502.2651 12000.0 503.2676 1200.0 505.2797 6000.0 507.2597 1800.0 533.2748 41000.0 534.2783 5400.0 535.2542 3400.0 551.2861 1500.0 563.5021 2500.0 564.5057 2200.0 604.3118 5500.0 687.3481 2200.0 705.3594 1400.0 706.4874 1400.0 706.5206 1600.0 END IONS BEGIN IONS SCANS=87 PEPMASS=705.3596 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3000.0 120.0808 13000.0 185.1284 1400.0 187.1437 1300.0 190.0856 1300.0 215.1387 2500.0 221.128 2300.0 231.1126 14000.0 249.1229 1400.0 268.1653 1800.0 316.202 1500.0 332.1596 1800.0 337.1537 13000.0 338.1573 1000.0 344.1959 5500.0 351.2019 1200.0 352.1856 1300.0 360.1909 3100.0 369.2121 4800.0 392.1959 2100.0 394.175 5500.0 410.2068 2700.0 415.233 3400.0 420.1908 97000.0 421.1942 7500.0 434.2062 1400.0 438.2016 12000.0 439.2054 1100.0 445.2429 1200.0 498.2701 2000.0 505.2799 6500.0 506.283 1000.0 516.28 6300.0 521.2377 3300.0 533.2747 29000.0 534.2775 3500.0 563.5017 2700.0 564.5053 2700.0 604.3114 4300.0 687.3493 1600.0 706.5224 2300.0 END IONS BEGIN IONS SCANS=88 PEPMASS=709.3546 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1400.0 120.0808 5900.0 201.1233 1100.0 221.1282 2300.0 231.1125 2900.0 272.1596 3000.0 330.1803 2600.0 337.1539 9600.0 392.1965 1100.0 394.1753 5500.0 410.2061 3400.0 419.2276 3400.0 420.1909 46000.0 421.1941 3400.0 438.2015 16000.0 439.2049 1300.0 491.2642 1600.0 493.2431 2400.0 509.2746 1200.0 519.2592 34000.0 520.2604 3300.0 537.2697 9100.0 590.2957 1300.0 608.3059 2700.0 END IONS BEGIN IONS SCANS=89 PEPMASS=709.3547 CHARGE=1 COLLISION_ENERGY=0.0 120.0809 15000.0 162.0912 1800.0 171.1126 4700.0 173.0918 1800.0 190.0861 2100.0 191.1025 1100.0 221.1287 1500.0 231.1125 19000.0 254.1497 1200.0 272.1599 6900.0 290.1704 3900.0 302.1865 1800.0 303.1699 1300.0 330.1804 6600.0 337.1537 9800.0 355.1973 2300.0 373.2078 4500.0 373.2222 1200.0 392.1961 1100.0 394.1754 3600.0 401.2029 1400.0 401.2177 5800.0 410.2065 1900.0 419.2268 1700.0 420.191 100000.0 421.1942 8700.0 438.2016 12000.0 439.204 1400.0 450.2379 1000.0 491.2645 13000.0 492.2827 1900.0 493.244 1800.0 502.2649 5300.0 519.2591 46000.0 520.2601 2300.0 520.2781 9500.0 521.2791 1200.0 533.2753 1400.0 536.2857 1300.0 537.2698 9500.0 538.2721 1100.0 539.2487 3300.0 590.2959 13000.0 591.2991 1100.0 604.312 1600.0 608.3067 7100.0 609.3098 1000.0 610.2861 2600.0 638.3177 2000.0 663.3495 1400.0 664.3312 1000.0 681.3599 5000.0 691.3433 11000.0 692.3458 2000.0 708.4102 1500.0 709.3542 6100.0 709.4124 1000.0 710.3564 1500.0 END IONS BEGIN IONS SCANS=90 PEPMASS=709.3544 CHARGE=1 COLLISION_ENERGY=0.0 120.0809 15000.0 162.0912 1800.0 171.1126 4700.0 173.0918 1800.0 190.0861 2100.0 191.1025 1100.0 221.1287 1500.0 231.1125 19000.0 254.1497 1200.0 272.1599 6900.0 290.1704 3900.0 302.1865 1800.0 303.1699 1300.0 330.1804 6600.0 337.1537 9800.0 355.1973 2300.0 373.2078 4500.0 373.2222 1200.0 392.1961 1100.0 394.1754 3600.0 401.2029 1400.0 401.2177 5800.0 410.2065 1900.0 419.2268 1700.0 420.191 100000.0 421.1942 8700.0 438.2016 12000.0 439.204 1400.0 450.2379 1000.0 491.2645 13000.0 492.2827 1900.0 493.244 1800.0 502.2649 5300.0 519.2591 46000.0 520.2601 2300.0 520.2781 9500.0 521.2791 1200.0 533.2753 1400.0 536.2857 1300.0 537.2698 9500.0 538.2721 1100.0 539.2487 3300.0 590.2959 13000.0 591.2991 1100.0 604.312 1600.0 608.3067 7100.0 609.3098 1000.0 610.2861 2600.0 638.3177 2000.0 663.3495 1400.0 664.3312 1000.0 681.3599 5000.0 691.3433 11000.0 692.3458 2000.0 708.4102 1500.0 709.3542 6100.0 709.4124 1000.0 710.3564 1500.0 END IONS BEGIN IONS SCANS=91 PEPMASS=713.3254 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1200.0 481.2438 1100.0 584.2831 1200.0 612.2786 1000.0 713.3257 230000.0 714.329 32000.0 END IONS BEGIN IONS SCANS=92 PEPMASS=716.5519 CHARGE=1 COLLISION_ENERGY=0.0 59.0497 2200.0 87.0445 2300.0 89.0601 32000.0 117.091 2000.0 131.0703 1700.0 133.0858 41000.0 175.0965 2200.0 175.1326 1300.0 177.112 23000.0 178.1155 1200.0 221.1381 4400.0 265.1641 1800.0 283.1744 2700.0 309.1903 1300.0 327.2001 1600.0 353.2163 1000.0 397.2424 1100.0 415.2524 1600.0 459.279 8600.0 460.2821 2800.0 503.3051 25000.0 504.3086 2000.0 716.5507 8200.0 END IONS BEGIN IONS SCANS=93 PEPMASS=716.5521 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1000.0 87.0443 1900.0 89.0601 25000.0 91.5081 1100.0 117.0911 1500.0 131.0704 1500.0 133.0858 36000.0 175.0965 1300.0 177.1119 21000.0 178.1155 1100.0 221.1379 5200.0 265.1638 1900.0 283.1744 1400.0 309.1898 1400.0 327.2007 1400.0 371.2267 1100.0 415.253 1500.0 459.2787 4200.0 503.3051 23000.0 504.3094 2200.0 716.5507 7400.0 717.5541 1200.0 END IONS BEGIN IONS SCANS=94 PEPMASS=718.5381 CHARGE=1 COLLISION_ENERGY=0.0 52.2534 1700.0 57.0706 3400.0 57.2416 2000.0 57.3706 1600.0 58.1822 1500.0 60.4643 1400.0 62.124 1700.0 62.1608 1900.0 62.1786 1500.0 63.2313 1600.0 63.7245 1500.0 64.2051 2700.0 65.9783 1800.0 67.2886 1700.0 69.95 1700.0 71.0861 6500.0 71.1894 1700.0 71.4015 1700.0 71.9538 1900.0 72.9882 1600.0 78.3358 1600.0 81.0703 5700.0 83.0862 9500.0 83.169 1800.0 85.1016 3800.0 90.8027 1800.0 93.9544 1800.0 95.0861 11000.0 97.1016 5300.0 103.1682 2200.0 105.081 1900.0 109.1015 6600.0 111.1172 2500.0 113.0962 2100.0 121.1012 2200.0 123.1169 4000.0 125.1326 2100.0 133.0865 1900.0 133.9489 1900.0 135.1169 2100.0 137.8475 1900.0 141.3964 2200.0 144.5035 1900.0 149.1329 2500.0 151.1483 2600.0 163.9683 2200.0 168.9399 2000.0 184.0727 10000.0 198.7016 1800.0 214.1371 2200.0 218.9123 2100.0 239.2366 24000.0 240.3819 1900.0 247.2419 4500.0 265.2518 27000.0 282.279 7900.0 308.2938 21000.0 313.2728 17000.0 321.2786 2700.0 339.2884 19000.0 347.0727 2000.0 358.0354 2400.0 362.4122 2300.0 366.2968 2000.0 408.8323 2200.0 436.2816 5200.0 454.2918 8400.0 461.9642 2400.0 462.2957 2400.0 476.5235 2000.0 511.1638 2200.0 576.5046 12000.0 577.5181 2100000.0 578.5214 280000.0 596.8293 2800.0 667.0544 2200.0 END IONS BEGIN IONS SCANS=95 PEPMASS=719.3755 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2000.0 120.0808 17000.0 183.113 1100.0 184.073 1300.0 190.1218 1700.0 201.1233 3000.0 218.1174 12000.0 221.1281 3400.0 231.1126 16000.0 232.1163 1100.0 249.123 2000.0 254.1496 2300.0 302.1857 1500.0 330.1804 11000.0 332.1595 2000.0 337.1867 1100.0 338.1699 1500.0 355.197 6000.0 365.1853 14000.0 366.1882 1700.0 373.2227 1200.0 383.192 1500.0 401.2174 5600.0 413.217 1800.0 420.2267 1900.0 422.2068 4700.0 431.2278 2400.0 438.2385 2600.0 448.2223 79000.0 449.2258 7500.0 466.2325 9600.0 467.2361 1300.0 474.2704 1400.0 484.2543 2400.0 502.2648 11000.0 519.2953 3800.0 547.2905 34000.0 548.2946 4300.0 549.2696 2200.0 565.3006 1500.0 577.5179 67000.0 578.5214 45000.0 579.5246 2800.0 618.3275 3700.0 620.3429 1100.0 701.3626 2000.0 719.376 1500.0 END IONS BEGIN IONS SCANS=96 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 51.0568 1200.0 51.7671 1200.0 52.3617 1400.0 55.6022 1800.0 56.0437 1300.0 56.6741 1400.0 56.9479 1400.0 57.7185 1300.0 63.2557 1300.0 63.4871 1300.0 63.5929 1400.0 64.7069 1500.0 65.8314 1600.0 69.3544 1800.0 72.0812 1600.0 73.0775 1500.0 79.4241 1700.0 83.189 1500.0 84.2385 1500.0 86.0968 120000.0 86.4966 1400.0 87.1003 2000.0 87.3725 1400.0 88.6151 1400.0 97.4214 1400.0 97.8913 1500.0 99.3731 1600.0 105.7107 1500.0 108.263 1700.0 120.0809 60000.0 138.8028 1500.0 140.6964 1600.0 159.1089 1600.0 162.0913 1800.0 162.1028 1700.0 164.5202 1500.0 165.4595 1500.0 173.1285 2000.0 177.2185 1400.0 185.1284 1700.0 190.0865 2500.0 201.1233 9800.0 203.1176 4800.0 204.8863 1600.0 221.1282 9100.0 227.1386 2200.0 229.3229 1700.0 231.1124 8200.0 233.1646 6600.0 249.1225 31000.0 254.149 4400.0 256.1281 2400.0 261.1591 7800.0 261.6654 2000.0 272.1474 1800.0 272.1598 25000.0 275.1749 6600.0 276.1695 2500.0 280.1155 2100.0 284.1959 2400.0 302.149 2200.0 302.1855 4800.0 303.1698 460000.0 304.1642 3200.0 304.1729 26000.0 313.1341 1600.0 316.677 1600.0 318.1807 3400.0 320.1969 4900.0 324.8838 2000.0 330.1804 43000.0 331.1829 3400.0 332.1965 1700.0 334.2118 3100.0 344.1959 66000.0 345.1996 4000.0 346.1761 2400.0 348.1907 28000.0 349.1954 1900.0 356.1956 2900.0 362.2067 28000.0 367.2334 11000.0 373.2221 2300.0 374.2068 5500.0 375.1997 2400.0 385.2431 8800.0 389.2534 2200.0 391.2333 14000.0 401.2178 18000.0 415.2328 13000.0 415.2696 6300.0 417.2484 2200.0 419.2277 45000.0 420.2308 2700.0 422.2429 29000.0 423.2465 2500.0 430.2759 1700.0 431.2626 2200.0 433.244 6500.0 433.2809 3200.0 443.2645 16000.0 444.268 3000.0 450.2377 250000.0 451.241 27000.0 461.276 2100.0 469.2786 2400.0 471.2617 1900.0 486.306 4200.0 487.2901 4700.0 488.2861 2200.0 493.4419 1600.0 504.3174 12000.0 505.2806 7900.0 507.2589 26000.0 508.2622 5200.0 514.3016 27000.0 515.3044 1700.0 523.2903 13000.0 532.312 19000.0 533.2747 270000.0 534.2776 38000.0 549.7018 2000.0 551.285 110000.0 552.288 15000.0 578.332 2600.0 604.3477 26000.0 605.3505 3000.0 606.3257 10000.0 632.3427 190000.0 633.3457 27000.0 634.5446 2400.0 646.6722 2000.0 650.3528 9200.0 703.3793 12000.0 704.3833 2700.0 721.3917 7500.0 722.3934 1900.0 END IONS BEGIN IONS SCANS=97 PEPMASS=721.3901 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 40000.0 120.0808 18000.0 190.0853 1000.0 201.1234 3500.0 221.1278 3200.0 231.1126 3200.0 233.1646 2100.0 249.1228 7200.0 254.1495 1600.0 261.159 2800.0 272.1595 6900.0 275.1746 1500.0 302.1858 1200.0 303.1697 150000.0 304.173 6800.0 318.1809 1200.0 320.1965 1600.0 330.1801 13000.0 332.1965 1100.0 334.2119 1300.0 344.196 21000.0 345.1991 1100.0 348.1908 7900.0 362.2065 10000.0 367.2328 3400.0 374.2064 1100.0 385.2435 2500.0 391.2333 3400.0 401.2174 5900.0 415.2325 3700.0 415.2693 2000.0 419.2278 14000.0 420.2311 1200.0 422.2432 7300.0 433.2432 1000.0 433.2805 1300.0 443.2637 3800.0 450.2375 72000.0 451.2414 6800.0 487.2897 2300.0 504.317 3800.0 505.2795 2400.0 507.2589 10000.0 508.2634 1100.0 514.3011 7500.0 515.3032 1200.0 523.2901 4200.0 532.3114 6500.0 533.2747 82000.0 534.2782 9800.0 551.2851 38000.0 552.2888 4500.0 579.5245 1300.0 604.348 8700.0 605.3515 1100.0 606.3278 2900.0 632.3428 61000.0 633.3455 8800.0 650.353 2200.0 703.3798 4000.0 721.392 1900.0 END IONS BEGIN IONS SCANS=98 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1500.0 86.0968 50000.0 120.0775 1700.0 120.0808 28000.0 173.1284 1200.0 183.1133 1300.0 190.0853 1400.0 201.1235 4600.0 221.1284 3900.0 231.1128 3600.0 233.1648 2400.0 249.1227 9600.0 254.1494 1400.0 261.1596 2700.0 272.1601 10000.0 275.1748 2400.0 276.1694 1400.0 302.1497 1800.0 302.1863 2700.0 303.1699 180000.0 304.1654 1100.0 304.173 9600.0 318.1814 1500.0 320.1968 2700.0 330.1804 16000.0 344.1961 25000.0 345.1987 1600.0 348.1914 8200.0 356.1953 1300.0 362.2065 13000.0 367.1641 1300.0 367.2329 4100.0 373.2232 1200.0 374.2065 1800.0 375.2022 1500.0 385.2433 2900.0 389.2541 1800.0 391.2334 5900.0 401.2174 8000.0 402.2202 1100.0 415.2336 4100.0 415.2696 2100.0 419.2278 21000.0 422.2428 11000.0 433.2433 1500.0 433.2791 3500.0 443.264 5600.0 450.2039 5200.0 450.2379 98000.0 451.2406 10000.0 460.2899 1000.0 461.2738 1500.0 469.2803 1600.0 486.3048 1500.0 487.2907 3100.0 504.3176 5300.0 505.2798 3200.0 507.2592 11000.0 508.263 2300.0 514.3012 11000.0 515.3042 1100.0 523.2908 4800.0 532.312 8600.0 533.2748 110000.0 534.2786 13000.0 551.2853 46000.0 552.2891 5800.0 579.5235 1500.0 604.3482 9500.0 605.3508 1600.0 606.3279 2400.0 632.343 80000.0 633.3461 13000.0 650.3531 2900.0 688.2625 1000.0 703.3798 5300.0 704.3819 1400.0 721.3911 3500.0 END IONS BEGIN IONS SCANS=99 PEPMASS=721.3907 CHARGE=1 COLLISION_ENERGY=0.0 54.1433 1500.0 57.3957 1200.0 57.8593 1200.0 59.3815 1400.0 59.8334 1200.0 60.548 1300.0 63.5493 1800.0 66.8408 1300.0 68.5077 1500.0 69.8135 1400.0 72.0811 8000.0 74.0078 1400.0 74.048 1400.0 74.1439 1600.0 76.5859 1400.0 81.4354 1300.0 86.0968 240000.0 87.1001 2600.0 91.5063 4700.0 107.9183 1500.0 112.8439 1600.0 114.7821 1600.0 120.0809 110000.0 121.0844 2300.0 133.9709 1600.0 134.7927 1600.0 150.0391 1600.0 155.1177 3100.0 156.969 1700.0 158.3767 2000.0 160.2999 1500.0 162.0904 2200.0 173.1283 3700.0 175.1463 1600.0 183.1124 3700.0 185.1286 2000.0 190.0862 5200.0 199.8839 1600.0 200.2609 1500.0 201.1237 17000.0 203.1167 1600.0 217.583 1600.0 217.9476 1700.0 221.1281 15000.0 226.1189 1700.0 231.1124 14000.0 233.1649 9900.0 234.1681 1800.0 239.1753 2400.0 241.0432 1800.0 249.1226 33000.0 250.1259 1800.0 252.6264 1500.0 254.1491 6400.0 254.3413 1500.0 261.1591 14000.0 272.1599 39000.0 273.8356 1500.0 275.1743 11000.0 276.1698 2200.0 284.1961 5000.0 285.1598 3500.0 287.175 2900.0 300.1544 1700.0 302.1499 7600.0 302.1857 10000.0 303.1698 750000.0 304.1731 33000.0 316.2021 2200.0 318.1809 7100.0 320.1598 2600.0 320.1964 6800.0 330.1805 69000.0 331.1843 3100.0 332.1969 3600.0 334.2122 6500.0 344.1961 120000.0 345.1998 6100.0 347.2075 1600.0 348.1909 32000.0 356.1965 3700.0 357.2487 2700.0 358.1756 5100.0 362.2065 51000.0 363.21 3300.0 367.2334 19000.0 373.2232 2900.0 374.2067 7500.0 375.2016 7200.0 375.3703 1600.0 385.2436 9200.0 389.2543 4900.0 391.2331 20000.0 401.2177 33000.0 415.2334 19000.0 415.2693 10000.0 417.2491 3100.0 419.228 77000.0 420.2315 5100.0 422.2429 41000.0 423.2449 3400.0 424.888 1700.0 433.2434 5600.0 433.2796 9000.0 443.2646 20000.0 444.2672 2500.0 447.0316 2100.0 450.238 380000.0 451.2413 37000.0 460.2896 2600.0 461.2744 5700.0 469.2802 4500.0 486.3053 9100.0 487.2898 9600.0 488.2841 3400.0 504.3168 15000.0 505.2796 15000.0 507.2596 52000.0 508.2627 7500.0 514.3014 45000.0 515.3052 4500.0 515.9426 1600.0 523.2903 21000.0 524.2946 2700.0 532.3117 29000.0 533.2748 430000.0 534.2781 51000.0 551.2852 190000.0 552.2887 26000.0 555.9824 1800.0 578.3316 2600.0 579.5239 1900.0 604.348 41000.0 605.3517 4400.0 606.326 13000.0 632.3431 310000.0 633.3464 42000.0 650.353 11000.0 656.1282 1800.0 659.9827 1700.0 703.3798 26000.0 704.3828 5100.0 721.3922 9800.0 722.3933 1700.0 END IONS BEGIN IONS SCANS=100 PEPMASS=724.4011 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6100.0 120.0809 3000.0 201.1233 2200.0 231.1126 1200.0 249.1236 1300.0 275.1706 2100.0 299.0614 4000.0 303.1696 32000.0 304.1732 1600.0 330.1808 3100.0 344.196 11000.0 362.2065 2800.0 405.2121 1900.0 415.0362 1000.0 422.2397 5400.0 429.088 1400.0 443.2642 3800.0 450.2377 25000.0 451.2409 2800.0 461.2747 2300.0 507.2591 4700.0 523.291 1300.0 533.2748 41000.0 534.2781 4800.0 535.323 7700.0 551.285 11000.0 552.289 1200.0 606.3271 1100.0 618.3271 1300.0 632.3428 25000.0 633.3462 4100.0 706.3911 1100.0 END IONS BEGIN IONS SCANS=101 PEPMASS=727.3658 CHARGE=1 COLLISION_ENERGY=0.0 120.0808 3900.0 221.1282 1500.0 231.1123 2500.0 272.1598 2000.0 299.0608 2900.0 330.1812 1900.0 337.1534 6900.0 373.2074 1300.0 394.1751 5700.0 410.207 2200.0 420.1909 37000.0 421.1944 3000.0 438.2016 12000.0 493.2432 2200.0 519.259 25000.0 520.2607 2900.0 537.2693 5000.0 538.2875 2200.0 608.3063 1300.0 709.3519 1800.0 END IONS BEGIN IONS SCANS=102 PEPMASS=728.4339 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1500.0 86.0969 4000.0 120.0811 6600.0 171.1125 2400.0 183.1129 1200.0 184.0731 4800.0 199.1802 6000.0 201.1238 2400.0 213.1594 1300.0 227.1751 26000.0 228.1791 1100.0 231.1119 5100.0 249.1233 1300.0 254.1494 3200.0 272.1598 1500.0 276.2679 3300.0 284.1962 1600.0 294.2783 8000.0 296.1961 4600.0 298.2125 2300.0 310.2126 3300.0 314.2062 1100.0 326.2433 2300.0 329.2219 2900.0 330.1805 18000.0 337.1861 1900.0 338.1707 2700.0 344.1961 10000.0 348.1905 1700.0 352.2595 1300.0 355.1966 8700.0 367.2333 6500.0 369.285 1100.0 372.1909 2000.0 373.2218 1300.0 374.243 12000.0 381.2484 2700.0 383.1923 2500.0 397.2796 1100.0 398.2425 1400.0 401.2173 7600.0 409.2802 14000.0 415.2325 1000.0 415.2696 2000.0 423.2592 1200.0 431.2279 3600.0 443.2645 9000.0 445.2805 1200.0 447.2954 1200.0 450.2705 1900.0 451.2542 3900.0 456.3313 3900.0 457.28 29000.0 458.2837 2900.0 461.2752 2600.0 468.2812 1700.0 469.2804 1300.0 471.2599 1900.0 474.2699 2400.0 475.2908 4400.0 480.3168 9300.0 484.254 2900.0 486.3051 1400.0 497.3112 1100.0 502.265 39000.0 503.2683 5200.0 511.3268 3400.0 514.3015 8800.0 528.3171 5800.0 528.3528 5500.0 530.3351 1100.0 540.3183 1900.0 541.3003 3400.0 544.3093 1000.0 546.3633 2900.0 556.348 21000.0 557.3513 3600.0 558.3274 2000.0 563.3549 2600.0 564.3392 2000.0 570.3287 1300.0 574.3588 7800.0 581.3652 2200.0 582.3626 4300.0 597.3375 2800.0 599.3904 5700.0 611.3534 1300.0 612.3381 2400.0 615.3484 12000.0 616.3528 1500.0 627.3852 42000.0 628.3887 5700.0 629.3646 1500.0 639.3845 4200.0 640.3687 2000.0 643.3461 1400.0 657.3954 3400.0 683.4125 3400.0 700.4379 8800.0 701.441 1100.0 709.5703 2100.0 710.4223 7500.0 710.5742 1400.0 727.4788 1300.0 727.5137 1200.0 727.5806 2400.0 728.4327 110000.0 728.5272 2200.0 728.5832 1700.0 729.4356 17000.0 END IONS BEGIN IONS SCANS=103 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=104 PEPMASS=0.0 CHARGE=1 COLLISION_ENERGY=0.0 END IONS BEGIN IONS SCANS=105 PEPMASS=738.4176 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1000.0 86.0951 1300.0 86.0967 13000.0 120.0809 5500.0 201.1231 2100.0 221.1283 1100.0 231.1123 2300.0 249.1234 3000.0 261.1592 1400.0 272.1598 1600.0 290.17 1300.0 302.1854 1000.0 303.1698 70000.0 304.1731 2500.0 330.1809 6600.0 344.1961 28000.0 348.1913 2800.0 362.207 5200.0 415.2693 2100.0 419.2284 4400.0 422.243 4600.0 433.2792 1400.0 436.2547 2200.0 437.2389 3200.0 443.2645 7000.0 450.2379 53000.0 451.2412 3300.0 461.2745 4500.0 505.2799 1500.0 507.2592 9800.0 523.2899 2400.0 532.3116 1700.0 533.2747 92000.0 534.2787 5700.0 549.338 3800.0 550.3226 4200.0 551.2853 25000.0 552.2882 1700.0 604.3475 3100.0 606.327 2000.0 632.343 60000.0 633.3463 4600.0 650.3532 3200.0 703.3822 1100.0 721.3895 2200.0 738.4778 1400.0 END IONS BEGIN IONS SCANS=106 PEPMASS=739.4004 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2400.0 86.0968 44000.0 91.5082 2100.0 120.0807 17000.0 162.0898 1500.0 173.1281 2300.0 183.1126 1200.0 189.1229 3500.0 190.0855 1200.0 201.1233 7500.0 221.1279 2500.0 231.1123 7400.0 233.1646 3400.0 249.1231 8100.0 261.1593 5900.0 272.1602 1600.0 275.1746 2400.0 290.1704 6800.0 303.1698 200000.0 304.173 15000.0 318.1804 2500.0 320.1961 1900.0 330.1802 18000.0 331.1842 2300.0 344.1961 67000.0 345.1999 5400.0 348.1906 7000.0 362.2065 15000.0 389.2539 2600.0 415.2696 4700.0 417.2491 2900.0 419.228 7500.0 422.2427 10000.0 423.2484 1600.0 433.2798 5800.0 436.2548 1500.0 437.238 10000.0 443.2644 21000.0 444.2682 3000.0 450.2378 110000.0 451.2414 17000.0 461.2747 11000.0 462.279 1800.0 505.2798 3000.0 507.259 21000.0 508.2627 3400.0 523.2904 5900.0 524.2943 1200.0 532.3118 5000.0 533.2748 200000.0 534.2779 33000.0 549.3382 3200.0 550.3222 19000.0 550.342 1300.0 551.2851 48000.0 551.325 2800.0 552.288 11000.0 578.3317 1000.0 599.5009 1000.0 604.3469 5200.0 605.3511 1800.0 606.3274 4900.0 632.3429 100000.0 633.3459 28000.0 650.3511 3400.0 721.39 6300.0 722.394 1200.0 END IONS BEGIN IONS SCANS=107 PEPMASS=739.4134 CHARGE=1 COLLISION_ENERGY=0.0 59.0498 1100.0 70.0657 10000.0 84.0448 3200.0 86.0968 11000.0 101.0712 3100.0 102.0552 12000.0 115.0867 24000.0 136.0756 8000.0 141.1023 1200.0 164.0083 4900.0 169.097 1300.0 184.073 5400.0 198.1234 2000.0 226.1184 17000.0 227.1216 1300.0 231.0974 2400.0 249.1596 2000.0 251.2365 1000.0 263.2363 1700.0 268.2628 7800.0 297.1552 1800.0 302.134 1400.0 319.2623 1200.0 337.2732 1400.0 370.2942 5500.0 380.278 1800.0 389.1812 2200.0 398.2895 10000.0 399.2928 2500.0 432.2232 1200.0 460.218 1200.0 531.7665 2200.0 532.2589 1900.0 532.7585 1100.0 540.7711 8600.0 541.2722 5600.0 577.517 1100.0 580.3353 1100.0 588.8482 4800.0 589.3499 4000.0 599.502 90000.0 605.2909 1600.0 620.3063 1400.0 637.3334 1300.0 658.3814 1000.0 682.8702 1000.0 683.8975 2200.0 684.3961 2300.0 697.4759 3600.0 703.8916 1200.0 704.3953 1300.0 716.9025 1100.0 721.4009 1000.0 721.8981 2400.0 725.4153 1800.0 725.9164 2500.0 730.4061 4000.0 730.9083 4700.0 731.4024 1300.0 738.4774 4000.0 738.5102 1400.0 738.5486 3500.0 739.4118 9200.0 739.4826 4200.0 739.5121 1900.0 739.549 3400.0 739.9131 7200.0 740.5198 6900.0 END IONS BEGIN IONS SCANS=108 PEPMASS=739.9149 CHARGE=1 COLLISION_ENERGY=0.0 70.0656 12000.0 81.0702 1500.0 84.0447 3300.0 86.0968 10000.0 95.0857 1200.0 101.0712 3500.0 102.0552 12000.0 115.0868 22000.0 116.09 1200.0 120.9659 1100.0 123.1171 1100.0 136.0758 5600.0 164.0081 17000.0 169.097 1200.0 184.073 11000.0 198.1235 1600.0 226.1182 16000.0 227.1221 1600.0 231.0972 2200.0 249.1598 2700.0 263.2362 5200.0 268.2629 7900.0 269.2665 2000.0 297.1558 1700.0 299.0617 2900.0 302.134 1500.0 306.2787 3900.0 319.263 2100.0 337.2723 4100.0 359.0276 1100.0 370.2946 6500.0 371.2984 1100.0 380.2791 1200.0 389.1808 3200.0 398.2891 12000.0 399.2924 2900.0 460.2173 1100.0 478.2915 1100.0 531.7657 2900.0 532.7605 1100.0 540.7702 11000.0 541.2722 5500.0 541.7737 2000.0 577.5178 3000.0 580.3358 1200.0 588.8502 3700.0 589.349 3700.0 589.8514 1400.0 599.5021 310000.0 605.7932 1100.0 620.3065 1800.0 624.8688 1400.0 683.3696 1100.0 683.8949 1600.0 684.3968 1400.0 697.4765 12000.0 703.8939 1100.0 716.9021 1000.0 721.4003 2000.0 725.4169 1400.0 725.9145 2100.0 730.4069 4500.0 730.9054 3400.0 731.4049 2700.0 739.4115 3400.0 739.4785 3100.0 739.5099 1400.0 739.5505 1800.0 739.9129 9400.0 740.4145 2600.0 740.4303 2200.0 740.4897 4300.0 740.5195 26000.0 740.5644 3900.0 END IONS BEGIN IONS SCANS=109 PEPMASS=740.5221 CHARGE=1 COLLISION_ENERGY=0.0 67.0547 1600.0 70.0656 5300.0 81.0703 1400.0 84.0446 2000.0 86.0968 4500.0 95.0858 1800.0 101.0711 2000.0 102.0552 6000.0 109.1015 1400.0 115.0867 12000.0 120.9661 2100.0 136.0753 3600.0 164.0082 16000.0 167.0548 3000.0 184.0731 13000.0 198.1236 1700.0 226.1183 9500.0 227.1216 1700.0 231.0976 1600.0 239.0942 2600.0 249.1591 1100.0 263.2365 5800.0 268.2628 3200.0 269.2664 1100.0 299.0609 15000.0 302.1343 1400.0 306.278 4100.0 319.2628 2300.0 337.2729 4100.0 355.0692 3300.0 359.0272 6400.0 370.2946 2600.0 380.2791 1400.0 398.2892 4500.0 399.2925 1600.0 415.0364 4300.0 429.088 3500.0 460.2812 1400.0 478.2918 1400.0 531.7654 1100.0 540.7708 2900.0 541.272 3700.0 541.7739 1400.0 577.5173 2700.0 588.848 1800.0 589.3506 2200.0 589.8517 1400.0 599.5021 300000.0 600.5056 43000.0 684.3977 1300.0 697.4763 9700.0 698.4794 1700.0 725.4124 1100.0 725.9147 1100.0 730.9051 2100.0 731.4076 1600.0 739.414 3000.0 739.4835 2000.0 739.5521 1400.0 739.9138 4600.0 740.4309 3600.0 740.4899 3200.0 740.5196 22000.0 740.5633 5400.0 741.5225 4900.0 END IONS BEGIN IONS SCANS=110 PEPMASS=741.1957 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=111 PEPMASS=741.1951 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=112 PEPMASS=741.1949 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=113 PEPMASS=741.1951 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=114 PEPMASS=741.1954 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=115 PEPMASS=741.1957 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 2200.0 167.0554 4000.0 225.0428 1000.0 239.0944 3800.0 281.0503 1600.0 299.0611 19000.0 300.0612 1300.0 355.0692 3500.0 359.0275 6800.0 415.0359 6200.0 429.088 3600.0 503.1064 1500.0 END IONS BEGIN IONS SCANS=116 PEPMASS=741.1952 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=117 PEPMASS=741.1954 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=118 PEPMASS=741.1955 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=119 PEPMASS=741.1947 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=120 PEPMASS=741.1942 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=121 PEPMASS=741.1947 CHARGE=1 COLLISION_ENERGY=0.0 167.0553 3600.0 225.0425 1400.0 239.0948 3400.0 281.0508 1200.0 299.0612 19000.0 300.0613 1200.0 355.0696 3300.0 359.0277 6700.0 415.036 5300.0 420.1902 1600.0 429.0877 3200.0 503.1062 1600.0 599.5015 1100.0 END IONS BEGIN IONS SCANS=122 PEPMASS=741.195 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=123 PEPMASS=741.1935 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=124 PEPMASS=741.1946 CHARGE=1 COLLISION_ENERGY=0.0 167.0552 3200.0 239.0944 2600.0 281.0505 1100.0 299.0612 13000.0 355.0694 2800.0 359.0276 5700.0 415.0359 3900.0 429.0882 2500.0 END IONS BEGIN IONS SCANS=125 PEPMASS=741.3804 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1500.0 91.5062 1100.0 120.0809 3900.0 167.0553 3800.0 187.1073 2800.0 205.1182 1200.0 221.1283 1300.0 225.0431 1600.0 231.1127 2700.0 239.0946 3400.0 272.1598 1300.0 281.0498 1800.0 286.1751 2200.0 299.061 18000.0 300.0607 1800.0 330.1803 1900.0 337.1538 7700.0 355.0689 3300.0 359.0276 7400.0 360.0274 1200.0 387.2228 1100.0 394.1753 6000.0 410.206 2100.0 415.0357 5400.0 419.2278 1600.0 420.1907 46000.0 421.1943 3400.0 429.0876 3000.0 438.2013 14000.0 439.2045 1300.0 491.2641 1400.0 493.2435 2000.0 503.1063 1300.0 519.2591 28000.0 520.2621 3600.0 534.291 1700.0 537.2697 6200.0 552.3004 2100.0 608.3063 1500.0 723.3679 3900.0 END IONS BEGIN IONS SCANS=126 PEPMASS=741.5256 CHARGE=1 COLLISION_ENERGY=0.0 70.0658 1200.0 81.0704 2000.0 86.0968 1400.0 91.0577 2000.0 95.0859 1500.0 109.1014 1600.0 115.0867 2400.0 120.9663 2300.0 123.1167 1100.0 149.045 1100.0 164.0083 18000.0 167.0555 4700.0 184.0732 12000.0 225.043 1700.0 226.1188 1500.0 239.0946 4700.0 263.2363 4800.0 281.0499 2500.0 299.0611 26000.0 300.0604 2900.0 306.2787 3300.0 319.2623 2400.0 337.2726 3300.0 338.2766 1300.0 355.0686 4200.0 359.0277 11000.0 360.0277 1400.0 415.0357 7000.0 416.0367 1500.0 429.0877 3800.0 430.0882 1200.0 478.292 1500.0 503.1059 1700.0 577.5178 3000.0 578.5211 2200.0 599.5023 160000.0 600.5056 140000.0 601.5156 13000.0 697.4768 6100.0 698.4797 5700.0 740.4332 1300.0 740.4896 1800.0 740.5193 11000.0 740.5638 2100.0 741.4355 1600.0 741.4932 2000.0 741.5233 16000.0 741.5676 1900.0 742.53 1100.0 END IONS BEGIN IONS SCANS=127 PEPMASS=748.4024 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1500.0 120.0808 7200.0 184.0731 3300.0 231.1127 3600.0 233.1644 7100.0 240.1333 1100.0 258.1444 1500.0 261.1592 22000.0 262.1628 1100.0 288.1339 1200.0 318.1808 1200.0 330.1803 12000.0 341.1815 3000.0 344.1962 6300.0 363.2061 1200.0 369.1759 2300.0 387.2013 4000.0 401.2175 1800.0 408.2274 6200.0 415.2695 1300.0 443.228 1600.0 443.2643 7600.0 460.254 1800.0 470.2387 3200.0 471.2231 1600.0 471.2598 1300.0 477.2491 1000.0 488.2495 28000.0 489.2526 2600.0 491.2645 18000.0 492.2677 1900.0 500.2858 5900.0 509.2756 2100.0 534.271 1100.0 545.3104 1900.0 548.2859 2600.0 562.338 3100.0 575.2861 1500.0 580.3478 1200.0 583.3226 2500.0 590.3321 9900.0 591.337 1200.0 601.333 9900.0 602.3349 2600.0 607.4907 1100.0 608.3427 2500.0 619.3595 2600.0 635.3178 1100.0 647.3539 13000.0 648.3563 1600.0 650.5334 1700.0 703.3805 1100.0 720.4066 3200.0 730.3901 5300.0 747.5576 1600.0 748.4013 64000.0 748.5731 2000.0 749.405 12000.0 END IONS BEGIN IONS SCANS=128 PEPMASS=752.4332 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 23000.0 120.0806 7700.0 201.1228 1900.0 204.1017 1000.0 215.1387 1800.0 221.1279 1700.0 231.1127 2900.0 233.1644 1700.0 249.1227 4500.0 261.159 3900.0 272.1599 1600.0 286.1751 2000.0 303.1698 50000.0 304.173 2600.0 317.1854 47000.0 318.1799 1900.0 318.1891 2200.0 330.18 4700.0 334.2112 1700.0 344.1962 50000.0 345.1995 3000.0 348.1905 2300.0 362.2064 14000.0 389.2537 1000.0 405.2491 1400.0 415.2332 2600.0 415.2687 1100.0 419.2279 4000.0 422.2433 4000.0 433.2433 5700.0 433.2798 1600.0 436.2565 5200.0 443.2645 7500.0 447.2951 1600.0 450.2379 38000.0 450.2695 3000.0 451.2414 3600.0 457.28 5400.0 461.2744 4200.0 464.2534 34000.0 465.2564 2800.0 475.2895 2800.0 504.3169 1600.0 505.281 1400.0 507.259 8500.0 514.3013 2800.0 519.2945 1200.0 521.2748 6800.0 523.2903 3100.0 528.3167 1900.0 532.3119 3600.0 533.2748 72000.0 534.2783 8300.0 546.3272 3100.0 547.2902 59000.0 548.2937 7000.0 549.3383 7900.0 551.2852 25000.0 552.2897 2500.0 563.3533 6900.0 565.3009 18000.0 566.3044 2200.0 618.3636 4500.0 620.3433 3400.0 646.3585 92000.0 647.3618 12000.0 664.3687 5800.0 693.3201 5300.0 717.3943 2400.0 734.4211 1600.0 735.4052 2700.0 751.3818 1300.0 END IONS BEGIN IONS SCANS=129 PEPMASS=753.4174 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2200.0 86.0968 34000.0 91.5081 2200.0 120.0807 14000.0 173.1284 2000.0 183.1124 1400.0 184.0728 1200.0 190.0858 1600.0 201.1231 9200.0 203.1393 5700.0 221.1278 1300.0 231.1124 6800.0 233.1646 3300.0 249.123 5400.0 261.1589 4700.0 275.174 1200.0 276.17 1200.0 302.1858 1900.0 303.1697 160000.0 304.1729 8700.0 304.1848 4200.0 318.1805 1400.0 320.1961 1700.0 330.1803 17000.0 330.1921 1100.0 334.2116 1600.0 344.1961 71000.0 345.1992 4400.0 348.1909 4100.0 362.2063 10000.0 389.2543 3100.0 415.2691 4200.0 417.248 1300.0 422.2427 10000.0 423.2469 1000.0 433.2433 3200.0 433.2792 5100.0 438.2058 2000.0 443.2642 16000.0 444.2677 1600.0 450.2378 94000.0 451.2403 8500.0 451.2553 5700.0 461.2745 8000.0 505.2802 2400.0 507.2592 17000.0 508.262 2000.0 515.2648 1400.0 523.2899 5500.0 533.2746 180000.0 534.278 25000.0 546.326 2200.0 551.285 46000.0 552.2892 5600.0 564.338 7800.0 565.3405 1000.0 604.3477 4700.0 606.3261 2400.0 632.3426 80000.0 633.3456 12000.0 650.3522 2200.0 735.405 4300.0 753.5954 1100.0 END IONS BEGIN IONS SCANS=130 PEPMASS=753.418 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2200.0 86.0968 34000.0 91.5081 2200.0 120.0807 14000.0 173.1284 2000.0 183.1124 1400.0 184.0728 1200.0 190.0858 1600.0 201.1231 9200.0 203.1393 5700.0 221.1278 1300.0 231.1124 6800.0 233.1646 3300.0 249.123 5400.0 261.1589 4700.0 275.174 1200.0 276.17 1200.0 302.1858 1900.0 303.1697 160000.0 304.1729 8700.0 304.1848 4200.0 318.1805 1400.0 320.1961 1700.0 330.1803 17000.0 330.1921 1100.0 334.2116 1600.0 344.1961 71000.0 345.1992 4400.0 348.1909 4100.0 362.2063 10000.0 389.2543 3100.0 415.2691 4200.0 417.248 1300.0 422.2427 10000.0 423.2469 1000.0 433.2433 3200.0 433.2792 5100.0 438.2058 2000.0 443.2642 16000.0 444.2677 1600.0 450.2378 94000.0 451.2403 8500.0 451.2553 5700.0 461.2745 8000.0 505.2802 2400.0 507.2592 17000.0 508.262 2000.0 515.2648 1400.0 523.2899 5500.0 533.2746 180000.0 534.278 25000.0 546.326 2200.0 551.285 46000.0 552.2892 5600.0 564.338 7800.0 565.3405 1000.0 604.3477 4700.0 606.3261 2400.0 632.3426 80000.0 633.3456 12000.0 650.3522 2200.0 735.405 4300.0 753.5954 1100.0 END IONS BEGIN IONS SCANS=131 PEPMASS=760.579 CHARGE=1 COLLISION_ENERGY=0.0 59.0497 6000.0 87.0444 2800.0 89.0601 33000.0 115.0755 1300.0 117.0912 5800.0 131.0695 1700.0 133.0858 48000.0 134.0892 1300.0 175.0964 2200.0 175.1327 2700.0 177.1118 23000.0 221.138 5900.0 233.1745 1400.0 239.1485 1100.0 265.164 1600.0 283.1749 2500.0 299.0604 2500.0 309.1896 2300.0 327.2008 1300.0 353.2157 1100.0 355.0695 1200.0 459.2789 1700.0 503.3049 5000.0 504.3089 1500.0 547.3312 19000.0 548.3346 2300.0 760.5762 8500.0 END IONS BEGIN IONS SCANS=132 PEPMASS=761.3866 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3900.0 120.0809 13000.0 183.1125 1500.0 184.0728 2900.0 201.1234 1600.0 231.1127 5200.0 254.15 1800.0 267.1338 1100.0 299.0614 2200.0 300.0616 1100.0 337.1862 1200.0 338.1705 1500.0 355.0693 1200.0 355.1971 3900.0 407.1959 14000.0 408.1989 1000.0 462.2372 1500.0 464.2176 4400.0 480.2486 2400.0 490.2329 110000.0 491.2362 8800.0 505.1029 1000.0 507.26 1300.0 508.2435 10000.0 509.2472 1100.0 561.3057 9100.0 562.3101 1200.0 589.301 34000.0 590.304 3400.0 591.28 5100.0 660.3377 3000.0 733.3895 1900.0 743.3744 1200.0 760.4014 1900.0 761.4023 1100.0 762.4176 3200.0 762.5486 1200.0 END IONS BEGIN IONS SCANS=133 PEPMASS=762.385 CHARGE=1 COLLISION_ENERGY=0.0 233.1319 1700.0 261.1263 6600.0 299.0608 1500.0 330.1806 1700.0 344.1962 1900.0 408.1943 4000.0 443.2306 1100.0 491.2316 3800.0 491.264 1100.0 502.2651 3800.0 526.3011 1400.0 562.3044 1100.0 590.299 3600.0 597.338 2100.0 615.3473 1500.0 661.3365 4700.0 698.3857 7800.0 734.3888 1200.0 744.3723 1200.0 761.4046 3800.0 762.3828 20000.0 762.5514 1800.0 763.388 2600.0 END IONS BEGIN IONS SCANS=134 PEPMASS=762.4177 CHARGE=1 COLLISION_ENERGY=0.0 53.446 2100.0 54.4301 1700.0 55.0263 1900.0 58.8507 1900.0 60.3468 1800.0 61.082 1900.0 64.7506 1900.0 68.6355 2200.0 72.0812 6700.0 72.2271 2100.0 72.8236 1800.0 74.2497 1900.0 80.984 1900.0 86.0967 19000.0 90.5028 2100.0 108.3345 2300.0 120.0809 36000.0 128.8457 2100.0 147.6769 2400.0 155.1173 2500.0 158.1018 2400.0 171.1126 3300.0 173.1273 2600.0 183.1127 4100.0 199.8717 2100.0 201.1234 17000.0 203.1179 7300.0 209.1287 2800.0 221.1284 6900.0 231.1123 35000.0 233.1318 3200.0 233.1647 19000.0 247.1439 3000.0 249.1229 17000.0 249.5163 2200.0 254.149 34000.0 261.1262 7800.0 261.1591 62000.0 261.4282 2300.0 261.4367 2300.0 262.1634 3300.0 266.1486 3600.0 267.0167 2500.0 272.1596 12000.0 285.1598 4000.0 300.7505 2300.0 302.1494 56000.0 302.1844 2300.0 303.1538 2800.0 303.1696 3100.0 304.9585 2100.0 320.16 3200.0 327.1701 11000.0 330.1805 42000.0 331.1837 2600.0 332.1602 2800.0 332.1964 2200.0 337.1861 18000.0 344.196 170000.0 345.1992 9700.0 348.1911 15000.0 355.1968 41000.0 356.1955 14000.0 358.1763 2600.0 360.2283 3600.0 362.2065 13000.0 363.2058 9700.0 367.2333 6300.0 370.2115 7100.0 372.1911 3000.0 373.2232 8200.0 374.207 6100.0 378.1796 5700.0 385.186 4800.0 387.2385 3000.0 391.2337 4900.0 392.981 2300.0 398.2437 3500.0 401.2174 34000.0 403.1967 6900.0 408.1942 7100.0 408.2276 38000.0 413.2177 11000.0 415.233 43000.0 415.2692 3800.0 416.2376 3400.0 416.254 4600.0 417.2485 4500.0 419.2286 25000.0 427.2332 9200.0 430.2676 2600.0 431.2274 13000.0 432.2267 4600.0 433.2799 3000.0 439.2341 2900.0 443.2645 59000.0 444.2682 4600.0 446.2431 7000.0 450.2358 4200.0 450.2704 4700.0 457.2438 18000.0 458.2401 2600.0 461.218 4100.0 461.2745 15000.0 462.2755 3000.0 463.2692 8500.0 464.253 10000.0 465.2486 4600.0 467.2628 2500.0 469.2798 19000.0 474.2371 3100.0 474.2712 3400.0 477.2482 9300.0 481.2799 6400.0 484.2546 54000.0 485.2577 6000.0 487.2906 5200.0 491.2291 8300.0 491.2644 130000.0 492.269 15000.0 495.2592 8800.0 498.2702 14000.0 502.2651 40000.0 503.2685 2900.0 504.3157 5400.0 507.2957 5300.0 509.2746 29000.0 510.278 2900.0 514.3011 30000.0 517.2784 9500.0 526.3012 14000.0 532.3121 6500.0 534.3052 3800.0 536.3226 4600.0 537.4786 2900.0 544.3122 3300.0 545.311 17000.0 546.3123 2300.0 548.285 12000.0 557.2756 6100.0 560.2865 3300.0 562.3016 27000.0 562.3373 12000.0 563.3213 8400.0 564.3166 5200.0 569.3414 3500.0 570.3277 13000.0 571.3229 4100.0 574.3013 86000.0 575.304 9400.0 580.3495 17000.0 581.3498 4300.0 590.2987 5100.0 590.3318 53000.0 591.3347 9100.0 592.3115 36000.0 593.3141 5800.0 597.3384 48000.0 598.3406 6700.0 600.3167 5500.0 604.3125 10000.0 605.3111 2300.0 608.3432 33000.0 609.3441 3200.0 615.3494 22000.0 616.3484 16000.0 618.3264 6500.0 619.3214 3400.0 619.359 2900.0 625.3318 2600.0 631.3219 19000.0 634.3575 6300.0 635.3569 2900.0 645.3387 44000.0 645.3726 3800.0 646.3408 7000.0 647.3538 9700.0 648.1239 2800.0 648.1708 2900.0 649.3324 16000.0 656.343 6400.0 661.3356 5100.0 661.368 12000.0 662.3691 2700.0 663.3475 12000.0 663.3852 2900.0 673.3693 95000.0 674.375 10000.0 689.3981 2600.0 691.3798 19000.0 692.38 3200.0 698.3854 10000.0 699.3848 8800.0 700.3832 2800.0 716.4121 10000.0 717.3953 16000.0 718.3924 4200.0 726.3957 8200.0 727.3962 3000.0 734.4224 19000.0 744.4062 93000.0 745.4102 15000.0 762.3826 25000.0 762.4161 78000.0 763.3857 5200.0 763.42 13000.0 787.22 2600.0 END IONS BEGIN IONS SCANS=135 PEPMASS=762.4185 CHARGE=1 COLLISION_ENERGY=0.0 59.0499 1400.0 72.0813 1400.0 86.0967 1500.0 89.06 2000.0 91.5082 1500.0 117.0914 1500.0 120.081 8900.0 133.0858 1500.0 164.0081 2300.0 171.1124 2200.0 173.1286 1200.0 177.112 1200.0 184.0732 2500.0 201.1227 1500.0 219.1132 1100.0 231.113 5000.0 233.1647 8500.0 247.1435 1400.0 254.1496 2800.0 261.1593 31000.0 262.1624 1900.0 272.1602 2100.0 282.1441 1400.0 302.1493 3100.0 302.1859 1100.0 310.1756 1500.0 315.2066 1600.0 318.1805 1700.0 330.1804 21000.0 331.1849 1100.0 332.1604 1100.0 332.1964 3300.0 337.1867 2500.0 338.1707 2500.0 344.1961 12000.0 348.1914 2100.0 355.1968 7900.0 360.2275 1500.0 363.206 3500.0 373.2238 1300.0 378.1809 1400.0 383.1918 2500.0 386.2437 1200.0 401.2175 13000.0 408.2274 11000.0 413.2176 1100.0 415.233 3300.0 415.2699 1300.0 419.2284 2000.0 431.2283 3300.0 431.2659 1100.0 432.2271 1800.0 434.2432 1000.0 443.2643 17000.0 444.2683 1500.0 457.2444 2000.0 461.2758 1500.0 463.2691 1200.0 471.26 1200.0 474.2702 1500.0 477.2486 2100.0 479.2654 1400.0 484.254 5100.0 485.239 2700.0 491.2641 31000.0 492.2684 2400.0 502.265 28000.0 503.2676 4700.0 509.2737 4200.0 514.3013 12000.0 515.3038 1100.0 517.2803 2700.0 533.3094 1100.0 545.3109 4000.0 548.2852 3600.0 562.3018 4700.0 562.3376 7100.0 564.3204 1300.0 574.3013 2500.0 575.2852 2800.0 577.5192 1900.0 580.3473 3700.0 590.3323 22000.0 591.3362 3300.0 592.3125 1200.0 597.3388 2200.0 598.3218 2500.0 599.5056 1100.0 608.3436 6400.0 615.3485 8800.0 616.3476 5500.0 621.4706 1900.0 621.486 1000.0 630.363 1100.0 633.3743 6400.0 634.3781 1500.0 645.3377 2500.0 646.3219 2200.0 649.3336 1200.0 650.462 1200.0 661.3691 38000.0 662.3728 4400.0 663.3503 1400.0 673.3694 4700.0 674.3533 2300.0 684.4581 1400.0 691.3801 2900.0 717.3962 2300.0 719.4609 1800.0 734.4224 7300.0 735.4262 1200.0 744.4056 8200.0 762.4169 69000.0 762.4987 6400.0 762.5501 10000.0 763.4199 13000.0 763.5823 1400.0 END IONS BEGIN IONS SCANS=136 PEPMASS=770.4446 CHARGE=1 COLLISION_ENERGY=0.0 54.1239 4200.0 54.1695 4100.0 56.2978 4900.0 56.3558 4200.0 56.8803 4700.0 59.7896 4100.0 72.0812 6800.0 73.1306 4700.0 73.9118 4800.0 74.3504 4300.0 76.8247 5200.0 81.074 5500.0 81.5594 4200.0 83.5218 4000.0 83.8479 5600.0 85.1998 4400.0 86.0951 11000.0 86.0968 160000.0 87.5637 4400.0 89.6257 4400.0 91.6774 4700.0 94.98 4400.0 96.9487 5400.0 111.7427 4900.0 115.9768 4800.0 120.0807 57000.0 137.2201 4600.0 145.6166 5500.0 152.8648 5200.0 155.0864 4700.0 155.8632 4200.0 156.054 4800.0 159.0232 4600.0 167.1704 5000.0 171.1124 10000.0 183.113 8400.0 184.9727 5100.0 187.6977 4700.0 200.2309 5800.0 201.1229 15000.0 201.3826 5600.0 231.1124 21000.0 233.1644 7100.0 249.1231 8200.0 254.1493 19000.0 254.4128 5600.0 261.1593 18000.0 267.1333 5900.0 269.1855 490000.0 270.1891 19000.0 272.1603 8700.0 282.1448 9000.0 288.4653 5100.0 295.6654 5100.0 296.196 16000.0 302.186 6500.0 303.1698 180000.0 304.1734 5300.0 310.1768 6100.0 310.2115 41000.0 327.2019 9800.0 330.1805 76000.0 332.1609 11000.0 337.1871 16000.0 338.1705 25000.0 339.238 5700.0 344.1961 210000.0 345.1994 14000.0 355.1971 76000.0 362.2066 15000.0 367.2334 19000.0 377.955 5000.0 383.1919 11000.0 385.1858 8600.0 388.2585 47000.0 394.0317 4800.0 401.2179 46000.0 403.1985 5100.0 409.2805 7500.0 413.2174 9100.0 415.2343 6700.0 415.2705 12000.0 416.2537 300000.0 417.257 23000.0 427.2333 5600.0 431.2275 18000.0 433.2805 5600.0 442.7058 5400.0 443.2647 71000.0 445.244 18000.0 450.2716 13000.0 451.2532 11000.0 468.2813 37000.0 473.2755 35000.0 474.2704 10000.0 480.317 16000.0 484.2548 18000.0 486.3066 11000.0 489.3052 9300.0 499.2906 700000.0 500.2945 60000.0 502.265 130000.0 503.2685 9300.0 514.3012 70000.0 515.3047 9700.0 517.3011 100000.0 526.3012 14000.0 544.3118 12000.0 549.7767 7100.0 552.4188 5800.0 557.5466 5600.0 570.3635 36000.0 572.3423 9800.0 581.3643 57000.0 584.0865 5700.0 586.9797 5600.0 587.3533 20000.0 597.3372 28000.0 598.3585 470000.0 599.3618 53000.0 600.3382 46000.0 615.3486 260000.0 616.3513 20000.0 647.4536 5800.0 669.3956 63000.0 670.3961 6400.0 671.3751 9100.0 703.4501 6300.0 731.5115 5400.0 742.4477 19000.0 743.1373 5900.0 752.4318 21000.0 754.8842 6000.0 770.4427 22000.0 END IONS BEGIN IONS SCANS=137 PEPMASS=770.4798 CHARGE=1 COLLISION_ENERGY=0.0 184.073 1300.0 199.1437 2600.0 296.1965 1300.0 298.2119 1900.0 342.1811 1800.0 376.2227 2700.0 395.2649 3100.0 473.275 140000.0 474.2783 11000.0 572.3428 11000.0 573.3456 1200.0 639.386 1700.0 770.4425 1700.0 770.4792 6700.0 771.4818 1400.0 END IONS BEGIN IONS SCANS=138 PEPMASS=776.3975 CHARGE=1 COLLISION_ENERGY=0.0 56.4915 9000.0 57.9504 8200.0 57.9588 8400.0 58.1666 8500.0 58.6223 8000.0 58.7642 8700.0 59.4305 9700.0 59.8369 8600.0 60.8101 8900.0 61.8634 9100.0 65.2513 8500.0 65.6757 9200.0 70.2227 8800.0 70.7925 12000.0 71.1685 8500.0 73.1974 11000.0 75.0764 9300.0 77.5292 9900.0 86.0968 530000.0 92.6398 11000.0 103.0744 9600.0 120.0808 220000.0 125.412 9300.0 134.3424 11000.0 142.4491 11000.0 143.0817 22000.0 155.0816 14000.0 156.9482 9800.0 158.0434 10000.0 160.3352 11000.0 162.0909 15000.0 162.9285 11000.0 173.0918 36000.0 200.2011 9500.0 221.1277 18000.0 226.1182 33000.0 231.1125 60000.0 233.1645 42000.0 244.1286 28000.0 245.2048 10000.0 246.8805 11000.0 249.1224 35000.0 254.1127 12000.0 261.1593 38000.0 274.1537 14000.0 275.1749 39000.0 276.1331 12000.0 281.1606 17000.0 282.1444 40000.0 287.3929 11000.0 299.1692 11000.0 302.1489 210000.0 303.1697 1800000.0 304.173 90000.0 309.155 22000.0 310.1385 52000.0 327.1657 170000.0 328.168 24000.0 332.1594 36000.0 339.2018 29000.0 344.196 480000.0 345.1993 30000.0 346.8895 12000.0 355.1605 50000.0 362.2063 55000.0 373.1862 140000.0 374.1895 12000.0 385.187 20000.0 387.2375 19000.0 389.2157 12000.0 403.1974 77000.0 409.9716 12000.0 415.233 140000.0 422.2426 110000.0 427.2331 16000.0 433.2427 16000.0 440.2497 12000.0 445.2439 34000.0 446.2387 41000.0 450.2378 600000.0 451.2396 64000.0 452.6631 14000.0 456.2228 60000.0 458.2744 22000.0 474.2337 520000.0 475.2366 37000.0 485.3121 12000.0 486.2703 200000.0 498.2698 41000.0 502.2317 12000.0 507.2599 61000.0 508.1512 12000.0 511.3111 10000.0 515.2632 14000.0 516.2806 57000.0 521.2579 11000.0 529.6747 10000.0 533.2747 810000.0 534.2786 99000.0 543.2894 13000.0 551.2847 120000.0 559.3224 40000.0 569.3074 66000.0 576.3162 57000.0 586.3022 11000.0 587.3176 730000.0 588.3212 67000.0 604.3115 610000.0 605.3137 82000.0 622.3205 13000.0 631.5358 11000.0 634.3218 75000.0 647.3513 20000.0 648.1756 9800.0 659.0291 14000.0 675.3485 87000.0 676.3499 22000.0 705.3575 34000.0 742.1682 11000.0 747.8832 10000.0 758.3849 55000.0 759.3813 11000.0 776.3928 30000.0 END IONS BEGIN IONS SCANS=139 PEPMASS=780.4282 CHARGE=1 COLLISION_ENERGY=0.0 56.2405 1100.0 72.0813 1500.0 76.3709 1100.0 91.5079 2200.0 95.8065 1100.0 97.9776 1100.0 114.9507 1200.0 120.0809 7300.0 123.3816 1100.0 166.066 1000.0 171.1128 1700.0 173.0919 1600.0 173.128 1100.0 184.0729 1500.0 198.229 1000.0 199.9747 1100.0 201.1234 7000.0 215.2078 1100.0 221.1285 2800.0 227.8066 1100.0 231.1129 3300.0 233.1644 7100.0 247.1441 3000.0 249.1225 4700.0 254.15 1700.0 258.9028 1100.0 259.7654 1000.0 261.1592 23000.0 272.1595 13000.0 303.1697 1600.0 315.2063 1800.0 318.1806 3300.0 318.3257 1300.0 330.1803 15000.0 331.1837 1000.0 332.1959 4600.0 344.1962 9500.0 348.1903 10000.0 355.1977 1800.0 360.2276 3700.0 361.0463 1100.0 362.2069 2600.0 363.2061 3100.0 373.2076 4600.0 374.2074 2700.0 378.1818 1500.0 380.2325 1000.0 386.2434 1600.0 391.2329 1500.0 401.2175 10000.0 408.2274 16000.0 409.2318 1300.0 410.5817 1000.0 415.2333 4100.0 415.27 1300.0 416.2539 2100.0 419.2279 14000.0 431.2648 3300.0 432.2281 1600.0 443.2646 25000.0 444.2683 2800.0 450.2388 1400.0 451.2328 1300.0 461.274 8400.0 462.275 3000.0 463.2685 1700.0 464.2534 3000.0 465.2493 1500.0 477.2497 3200.0 479.2648 3800.0 480.2673 1000.0 481.2811 4300.0 487.291 2000.0 491.2642 29000.0 492.2675 3200.0 495.2599 3400.0 502.2651 2400.0 504.3185 1700.0 507.2957 1700.0 509.2749 17000.0 514.3016 18000.0 515.304 1300.0 516.6125 1200.0 517.2817 1200.0 520.2752 17000.0 521.2773 2800.0 532.3111 4800.0 533.3118 3400.0 535.2906 2600.0 536.3223 4100.0 545.3104 6200.0 548.2856 4500.0 559.0302 1200.0 562.3008 7100.0 562.337 11000.0 562.3613 1300.0 563.3225 6000.0 564.3159 5600.0 566.2963 2900.0 578.332 2500.0 580.3126 5600.0 580.3478 18000.0 581.3535 2900.0 590.3322 55000.0 591.3353 6100.0 597.3396 1300.0 607.3605 1700.0 608.343 32000.0 609.3448 5800.0 616.3474 7200.0 617.3499 1100.0 633.3762 2200.0 634.358 5500.0 635.3546 2200.0 647.4036 1400.0 649.3998 1200.0 651.3845 10000.0 652.3888 1700.0 653.3486 1200.0 661.3692 34000.0 662.3727 5000.0 679.3798 24000.0 680.385 2800.0 680.4914 1100.0 712.0157 1100.0 744.4056 3200.0 762.4175 5900.0 780.4275 39000.0 780.5589 3000.0 780.9896 1000.0 781.4312 6400.0 785.6578 1100.0 END IONS BEGIN IONS SCANS=140 PEPMASS=780.429 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 2000.0 120.0809 5400.0 171.1127 1300.0 183.1123 1300.0 184.0729 4100.0 231.1125 5700.0 233.1649 8100.0 247.1442 1100.0 261.1593 23000.0 272.16 3100.0 290.1705 2300.0 302.1857 1100.0 330.1806 13000.0 332.1974 1000.0 344.1961 7100.0 355.198 1100.0 360.2271 1700.0 362.2068 1600.0 372.1913 1300.0 373.208 1600.0 401.2031 2000.0 401.2178 4800.0 408.2276 5600.0 443.2645 11000.0 462.2766 1100.0 471.259 1200.0 477.2497 2300.0 484.2553 1500.0 490.234 1800.0 491.2357 1700.0 491.2644 29000.0 492.2664 1500.0 502.2651 7100.0 509.2755 1500.0 514.3015 4400.0 520.2756 19000.0 521.2787 1900.0 545.3121 2400.0 548.2876 1600.0 562.301 1800.0 562.3377 4600.0 563.3426 1200.0 589.3014 1200.0 590.3326 16000.0 591.3372 2700.0 597.3398 1200.0 608.3428 3600.0 615.3484 2600.0 616.3517 1200.0 633.3595 2800.0 633.376 2200.0 634.3601 1100.0 661.3704 21000.0 662.373 3000.0 663.3495 1200.0 679.3807 3200.0 709.3912 1600.0 734.4218 1200.0 744.4064 3700.0 752.434 7200.0 753.4361 1400.0 762.4174 16000.0 763.4207 2800.0 780.4277 90000.0 780.5595 6400.0 781.4312 15000.0 END IONS BEGIN IONS SCANS=141 PEPMASS=780.4281 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1700.0 120.0808 4700.0 171.1127 1300.0 184.0731 8700.0 231.1125 3500.0 233.1646 7700.0 247.144 1400.0 261.1594 18000.0 272.1599 3600.0 290.1708 1600.0 330.1808 13000.0 332.1964 2200.0 344.1963 6400.0 348.1914 1400.0 355.1975 1300.0 360.2274 1400.0 363.205 1900.0 372.1916 1000.0 373.207 2200.0 401.2029 1600.0 401.2181 6000.0 408.2277 6000.0 415.2335 1400.0 419.2274 2300.0 421.6906 3300.0 422.1921 1500.0 443.2644 14000.0 444.2682 1400.0 461.2758 1900.0 462.2749 1000.0 477.2493 1500.0 479.2655 1200.0 484.2556 1100.0 491.2647 17000.0 492.2661 2100.0 492.2829 1100.0 502.265 4900.0 509.2753 2200.0 514.3016 8200.0 520.2756 18000.0 521.2794 1400.0 545.312 2600.0 548.2872 1100.0 562.3033 2000.0 562.338 4200.0 563.3214 1100.0 580.3137 1200.0 580.347 2100.0 590.3327 17000.0 591.3354 2600.0 597.3376 1200.0 608.3425 3500.0 615.3491 2900.0 616.3488 1300.0 633.3594 4600.0 633.3787 1500.0 634.3596 1000.0 651.3863 1300.0 661.3706 22000.0 662.3738 3200.0 663.3495 1200.0 679.3807 2600.0 681.3604 1100.0 709.3917 1200.0 734.4227 1100.0 744.407 4400.0 752.4343 4900.0 762.4172 9800.0 763.4219 1400.0 780.428 140000.0 780.5594 7300.0 781.431 25000.0 781.5656 1400.0 END IONS BEGIN IONS SCANS=142 PEPMASS=781.4593 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 486.2695 1000.0 491.2286 1600.0 583.3224 60000.0 584.3259 7300.0 653.4018 1600.0 717.3988 1400.0 780.3938 4000.0 781.3972 4500.0 781.4586 2300.0 END IONS BEGIN IONS SCANS=143 PEPMASS=784.4612 CHARGE=1 COLLISION_ENERGY=0.0 86.0949 1000.0 86.0968 19000.0 120.0809 4700.0 184.0732 2000.0 231.1129 1600.0 254.1495 1000.0 269.1855 6300.0 283.2011 38000.0 284.2048 1300.0 296.1967 1900.0 303.1695 7900.0 310.2119 10000.0 317.1855 18000.0 330.1805 5700.0 332.1594 1100.0 337.187 1400.0 338.1706 1900.0 344.1963 24000.0 345.2001 1700.0 355.1971 6200.0 362.2068 2000.0 367.2338 1700.0 369.213 1000.0 383.1926 1400.0 401.2175 3500.0 402.2745 3500.0 409.2809 1600.0 415.2334 1700.0 416.2534 7000.0 430.2693 23000.0 431.2286 1400.0 431.2726 1500.0 443.2645 5500.0 445.2444 1800.0 450.2689 1200.0 468.2809 3100.0 473.2755 4300.0 480.3171 2100.0 482.2967 1400.0 484.2556 1500.0 487.2913 2100.0 499.2908 18000.0 500.2949 2200.0 502.2652 11000.0 513.3065 53000.0 514.3005 7100.0 516.281 2700.0 517.3011 2700.0 526.3019 1500.0 528.3174 1300.0 531.3168 6300.0 581.365 8600.0 582.3669 1100.0 584.3788 4200.0 587.3547 1700.0 595.3816 1800.0 597.3398 2500.0 600.338 1500.0 612.3744 45000.0 613.3775 6300.0 614.3533 2900.0 615.3491 23000.0 616.3503 3000.0 629.3647 3300.0 683.4114 5000.0 685.3916 1300.0 748.5714 1400.0 756.4646 1400.0 766.4485 2800.0 783.578 2400.0 784.4595 1800.0 784.5917 18000.0 785.5966 2600.0 END IONS BEGIN IONS SCANS=144 PEPMASS=784.4604 CHARGE=1 COLLISION_ENERGY=0.0 86.0949 1000.0 86.0968 19000.0 120.0809 4700.0 184.0732 2000.0 231.1129 1600.0 254.1495 1000.0 269.1855 6300.0 283.2011 38000.0 284.2048 1300.0 296.1967 1900.0 303.1695 7900.0 310.2119 10000.0 317.1855 18000.0 330.1805 5700.0 332.1594 1100.0 337.187 1400.0 338.1706 1900.0 344.1963 24000.0 345.2001 1700.0 355.1971 6200.0 362.2068 2000.0 367.2338 1700.0 369.213 1000.0 383.1926 1400.0 401.2175 3500.0 402.2745 3500.0 409.2809 1600.0 415.2334 1700.0 416.2534 7000.0 430.2693 23000.0 431.2286 1400.0 431.2726 1500.0 443.2645 5500.0 445.2444 1800.0 450.2689 1200.0 468.2809 3100.0 473.2755 4300.0 480.3171 2100.0 482.2967 1400.0 484.2556 1500.0 487.2913 2100.0 499.2908 18000.0 500.2949 2200.0 502.2652 11000.0 513.3065 53000.0 514.3005 7100.0 516.281 2700.0 517.3011 2700.0 526.3019 1500.0 528.3174 1300.0 531.3168 6300.0 581.365 8600.0 582.3669 1100.0 584.3788 4200.0 587.3547 1700.0 595.3816 1800.0 597.3398 2500.0 600.338 1500.0 612.3744 45000.0 613.3775 6300.0 614.3533 2900.0 615.3491 23000.0 616.3503 3000.0 629.3647 3300.0 683.4114 5000.0 685.3916 1300.0 748.5714 1400.0 756.4646 1400.0 766.4485 2800.0 783.578 2400.0 784.4595 1800.0 784.5917 18000.0 785.5966 2600.0 END IONS BEGIN IONS SCANS=145 PEPMASS=788.4009 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1900.0 86.0968 59000.0 104.0531 14000.0 120.0805 2300.0 162.0907 1700.0 171.1125 3100.0 183.1125 1000.0 190.0858 2300.0 201.1231 4000.0 215.0846 6300.0 217.1366 2600.0 227.1389 1700.0 228.1342 1200.0 233.0954 1600.0 245.1317 3900.0 254.1489 3100.0 267.1334 2900.0 272.1595 2600.0 275.1749 2500.0 282.1442 1200.0 286.1574 2100.0 287.1416 9100.0 303.1699 230000.0 304.1731 12000.0 309.1919 2200.0 310.1754 4100.0 314.1524 24000.0 315.1563 1200.0 316.1318 2800.0 327.2019 2500.0 328.1683 68000.0 329.1714 2900.0 332.1628 2000.0 337.1861 4800.0 338.1701 7800.0 344.1957 4500.0 346.1792 3300.0 355.1967 24000.0 357.1952 1200.0 358.212 3000.0 367.2328 4200.0 383.1915 5500.0 385.1898 13000.0 387.169 1600.0 397.1897 1200.0 399.205 1900.0 399.2412 5100.0 401.2183 1100.0 406.2152 6600.0 411.2048 1100.0 415.2 5900.0 417.2526 1300.0 427.2365 16000.0 428.2375 1100.0 429.2154 4400.0 434.2101 71000.0 435.2137 4900.0 445.2469 1800.0 450.2702 1800.0 458.2419 3800.0 468.2265 5400.0 468.2803 2000.0 470.2775 3000.0 486.237 47000.0 487.2421 3600.0 489.2516 1600.0 491.2311 6300.0 498.2734 20000.0 499.2757 1400.0 500.2525 2300.0 502.2642 1100.0 507.2633 1800.0 510.273 3300.0 514.3013 1600.0 517.2469 210000.0 518.25 19000.0 528.2835 2300.0 535.2571 22000.0 536.2598 2300.0 554.2992 1600.0 571.3253 4500.0 581.3105 7900.0 588.3199 11000.0 590.299 1600.0 599.3207 77000.0 600.3235 6600.0 615.3488 4400.0 616.3149 120000.0 617.3178 15000.0 618.294 11000.0 619.2973 1300.0 634.326 2200.0 687.3516 16000.0 688.3554 2200.0 689.3313 1900.0 760.4031 3800.0 770.388 6000.0 771.3926 1100.0 788.3992 3900.0 788.5654 3400.0 END IONS BEGIN IONS SCANS=146 PEPMASS=788.4344 CHARGE=1 COLLISION_ENERGY=0.0 112.1123 1200.0 146.0965 1100.0 184.0734 2200.0 259.1801 10000.0 287.1747 28000.0 288.1785 1400.0 330.1805 3400.0 355.1971 1500.0 401.2177 1700.0 431.2285 1300.0 434.243 14000.0 435.2469 1400.0 491.2647 2500.0 502.2648 8800.0 517.28 35000.0 518.2833 3100.0 535.2902 6000.0 588.3527 2700.0 590.3321 2100.0 616.3481 21000.0 617.3512 2800.0 618.3287 3200.0 634.3584 1900.0 661.3694 3000.0 687.3851 4400.0 717.3949 1400.0 760.4379 1500.0 787.4202 1300.0 788.4329 25000.0 788.5646 7500.0 789.4368 3700.0 789.599 1200.0 END IONS BEGIN IONS SCANS=147 PEPMASS=788.4342 CHARGE=1 COLLISION_ENERGY=0.0 184.0727 1900.0 259.1799 8100.0 287.1748 22000.0 330.1804 2900.0 355.1972 1600.0 401.2178 2600.0 434.2431 12000.0 491.2638 2400.0 502.2646 8200.0 517.2486 1100.0 517.2798 30000.0 518.2823 3200.0 535.2903 5500.0 588.3535 3400.0 590.3342 2000.0 616.3481 22000.0 617.3526 3200.0 618.3272 2000.0 634.3603 2500.0 661.3696 2700.0 687.3852 3700.0 729.4841 1000.0 760.438 1300.0 788.433 33000.0 788.5648 10000.0 789.4354 6200.0 789.5671 1400.0 789.5978 1500.0 END IONS BEGIN IONS SCANS=148 PEPMASS=788.4543 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1200.0 269.1853 5300.0 303.1703 2300.0 344.196 1800.0 416.2536 9200.0 419.228 2000.0 473.2744 1400.0 499.2906 12000.0 500.2935 1100.0 517.3008 6800.0 532.3117 1100.0 598.3588 14000.0 599.3597 1700.0 616.3701 1500.0 633.3599 1900.0 END IONS BEGIN IONS SCANS=149 PEPMASS=788.4541 CHARGE=1 COLLISION_ENERGY=0.0 55.2617 1500.0 56.3781 1600.0 59.2104 1400.0 61.4821 1500.0 63.2386 1400.0 65.2608 1400.0 67.6088 1500.0 70.9277 1600.0 71.6225 1600.0 72.0812 3700.0 73.4565 1400.0 77.2995 1500.0 79.4888 1500.0 83.3423 1500.0 85.7418 1700.0 85.848 1700.0 86.0968 88000.0 88.2651 1700.0 91.5082 2800.0 92.4117 1700.0 95.8284 1600.0 104.5121 1700.0 112.4646 1700.0 120.0655 1800.0 120.0808 30000.0 120.2809 1800.0 137.9789 1700.0 138.4821 1800.0 145.3908 1700.0 146.789 1800.0 153.4919 1700.0 170.4549 1500.0 171.112 12000.0 173.0918 4800.0 174.4694 1600.0 181.9258 1600.0 183.1119 2000.0 183.5835 1700.0 190.0427 1600.0 191.102 4900.0 196.7961 1900.0 201.6578 1500.0 201.8568 2000.0 212.718 1800.0 227.1395 1800.0 231.1125 17000.0 233.1648 5300.0 240.3898 1600.0 246.1437 1800.0 248.1391 2100.0 254.1492 5400.0 261.1593 5800.0 269.1854 230000.0 270.1888 7600.0 272.1596 26000.0 281.4655 1700.0 282.1445 1900.0 290.1703 20000.0 296.196 4400.0 302.1862 6300.0 303.1693 33000.0 309.1916 2600.0 310.2117 15000.0 320.1963 1800.0 327.2022 5000.0 328.1859 4900.0 330.1803 37000.0 330.3633 1800.0 337.1873 4800.0 340.8472 1800.0 344.196 130000.0 345.2001 6900.0 345.2126 8900.0 350.1403 1700.0 350.1703 2100.0 355.1966 15000.0 362.2063 5500.0 367.2333 2300.0 373.2075 33000.0 382.3894 1700.0 388.2585 15000.0 401.2024 12000.0 401.2176 15000.0 409.2804 2100.0 415.2703 9100.0 416.2533 99000.0 417.2572 5900.0 419.2283 8300.0 443.2642 30000.0 450.2708 2700.0 450.5665 1700.0 458.2755 2800.0 461.2762 2800.0 463.2541 3000.0 468.2816 3800.0 473.2755 8800.0 480.317 2900.0 481.2808 2300.0 484.2545 1700.0 486.2917 3200.0 489.3062 3900.0 492.2805 7500.0 498.3271 2100.0 499.2906 300000.0 500.2944 24000.0 502.2649 27000.0 514.3017 18000.0 516.3174 3200.0 517.301 37000.0 518.3051 3400.0 520.2755 78000.0 521.279 5400.0 532.3113 8300.0 534.2914 5000.0 548.2701 6400.0 562.3228 2000.0 570.3291 2700.0 570.3633 22000.0 571.3657 1800.0 572.3433 4000.0 581.3656 2800.0 587.3535 2200.0 588.3364 2600.0 597.3384 4400.0 598.3585 170000.0 599.3621 18000.0 605.3646 16000.0 606.3705 2000.0 615.3483 23000.0 615.3835 2300.0 616.3713 11000.0 617.3729 1900.0 618.3478 18000.0 633.3593 170000.0 634.3624 17000.0 669.395 38000.0 670.3992 4700.0 687.4059 15000.0 689.3859 16000.0 689.4186 3000.0 717.416 14000.0 718.4183 3400.0 742.4487 2200.0 743.4315 3600.0 760.4594 25000.0 761.4619 6300.0 770.4428 52000.0 771.446 6400.0 788.4536 64000.0 789.455 11000.0 819.2254 2100.0 END IONS BEGIN IONS SCANS=150 PEPMASS=790.4131 CHARGE=1 COLLISION_ENERGY=0.0 56.004 2100.0 56.0627 2500.0 56.263 2400.0 56.4734 1900.0 57.1905 2700.0 57.4835 2100.0 59.6799 2000.0 60.1062 2000.0 60.2647 1900.0 63.1679 2400.0 65.3027 2900.0 65.393 2100.0 67.7946 2600.0 69.5135 2300.0 72.0813 6400.0 73.3914 2500.0 73.3987 2500.0 75.5199 2600.0 75.7175 2300.0 84.0675 2400.0 84.3705 2600.0 85.3243 2800.0 86.0968 140000.0 91.508 9700.0 96.1303 2800.0 99.8226 2900.0 104.2839 2900.0 111.1188 3200.0 112.5169 3600.0 120.0807 49000.0 146.1668 2800.0 152.0413 2500.0 152.4493 2300.0 152.7425 2300.0 156.1178 2300.0 157.0968 4500.0 159.6088 2400.0 162.0911 3000.0 171.3901 2500.0 173.1285 2700.0 182.8404 2500.0 183.1121 2600.0 190.0859 3500.0 190.3062 2700.0 201.1234 3200.0 217.1386 2900.0 231.1125 15000.0 233.1646 16000.0 234.5215 2900.0 240.1338 7000.0 249.1226 7500.0 251.0468 2500.0 254.149 3400.0 258.1442 7100.0 261.1596 13000.0 275.175 6100.0 289.1538 3200.0 295.1755 4900.0 296.1598 11000.0 302.186 6300.0 303.1698 410000.0 304.1734 21000.0 313.1859 7600.0 323.1706 8700.0 324.155 11000.0 324.8188 2800.0 330.0819 2700.0 330.1807 47000.0 332.1612 3900.0 341.1811 30000.0 344.1962 150000.0 345.1998 8000.0 353.217 5200.0 359.2084 3200.0 362.2071 8300.0 366.6247 2800.0 369.1766 11000.0 387.202 21000.0 389.1815 4800.0 397.4578 2800.0 401.2174 7600.0 415.2699 13000.0 422.2429 15000.0 436.2543 3700.0 441.9404 3100.0 443.2643 44000.0 443.664 2900.0 444.2682 3400.0 445.2445 4700.0 450.2378 110000.0 451.1971 2900.0 451.2407 11000.0 454.2646 4500.0 460.2543 10000.0 470.2386 20000.0 472.2924 6100.0 484.2554 4400.0 488.2495 150000.0 489.2519 19000.0 500.2856 42000.0 502.2649 6400.0 505.2831 3900.0 507.2602 8100.0 515.2642 3900.0 516.2469 3300.0 523.2941 3600.0 533.2748 280000.0 534.2776 29000.0 550.3018 3100.0 551.2852 38000.0 552.288 4500.0 555.3293 3800.0 573.3386 18000.0 574.3419 3100.0 583.3223 20000.0 601.3332 420000.0 602.3362 41000.0 604.3486 10000.0 632.3431 130000.0 633.3458 18000.0 634.3225 9700.0 686.2996 3100.0 689.3639 17000.0 691.3435 3500.0 762.4157 6600.0 772.401 14000.0 789.4135 6400.0 790.4131 16000.0 790.5795 8200.0 791.4146 4000.0 END IONS BEGIN IONS SCANS=151 PEPMASS=790.4142 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1300.0 86.0968 40000.0 120.081 15000.0 184.073 1300.0 231.1129 4100.0 233.1647 3000.0 240.1341 1300.0 258.1439 1400.0 261.1593 3600.0 275.1748 1400.0 302.1863 1300.0 303.1699 120000.0 304.1731 4900.0 313.1869 1300.0 316.1647 7000.0 323.1715 1300.0 324.1548 2500.0 330.1806 14000.0 341.1808 7000.0 344.1963 26000.0 345.2003 2300.0 362.2071 1200.0 369.1761 3500.0 387.2023 3400.0 401.2177 7100.0 401.2545 1300.0 415.2698 2000.0 417.213 2300.0 422.2427 6300.0 429.2487 4000.0 431.2282 2200.0 436.2551 1000.0 443.2649 4100.0 450.2379 41000.0 451.2415 3800.0 460.2537 2100.0 470.2385 2700.0 485.238 1300.0 486.3074 1100.0 488.2495 27000.0 489.2534 2500.0 500.2862 6900.0 502.2654 1200.0 507.2605 1500.0 514.3016 11000.0 515.304 1100.0 519.2593 20000.0 520.2618 1900.0 530.2965 1100.0 533.275 54000.0 534.2784 5500.0 537.269 3800.0 551.2855 3800.0 556.3131 1100.0 573.3381 3200.0 583.3224 2500.0 584.3063 1200.0 590.332 1800.0 601.3333 55000.0 602.3365 5600.0 604.3479 5300.0 618.3273 16000.0 619.3321 2300.0 620.3068 7900.0 621.3098 1100.0 632.3431 33000.0 633.3467 4400.0 634.322 1100.0 689.3659 2600.0 703.3801 8600.0 704.3843 1300.0 719.3746 1000.0 762.416 1100.0 772.4014 2300.0 789.5679 1700.0 789.6022 2000.0 790.4127 2200.0 790.5797 7800.0 END IONS BEGIN IONS SCANS=152 PEPMASS=794.4076 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0809 9800.0 143.0815 1700.0 173.0918 1600.0 190.0862 1500.0 226.1186 2000.0 231.1125 6100.0 233.1642 2900.0 244.1286 7600.0 249.123 1200.0 261.1595 3300.0 262.1395 2600.0 275.1755 1100.0 281.1601 1400.0 299.1707 1800.0 300.1552 2000.0 302.1495 11000.0 303.17 110000.0 304.1732 4800.0 317.1814 2400.0 327.1657 3500.0 344.1963 45000.0 345.1765 10000.0 345.1999 2000.0 362.2064 2400.0 373.1717 2500.0 373.1863 6700.0 387.2377 1200.0 391.1975 2000.0 415.2331 8600.0 422.243 4800.0 430.2435 1800.0 440.2498 1000.0 450.238 30000.0 451.2412 2000.0 456.2234 1100.0 464.2491 2900.0 474.2337 10000.0 475.2363 1300.0 486.27 6900.0 492.2447 38000.0 493.2478 2900.0 504.281 2700.0 507.2598 1900.0 520.2393 1800.0 533.275 52000.0 534.2764 5000.0 551.2854 7600.0 576.317 5500.0 577.3342 3800.0 578.2966 1300.0 587.3177 9500.0 588.3212 1100.0 604.3122 36000.0 605.3289 61000.0 606.3318 7200.0 621.3387 1600.0 622.3223 5300.0 652.3333 3000.0 675.3492 11000.0 676.3524 1600.0 693.3597 3900.0 694.3634 1000.0 723.3702 6600.0 748.4011 1200.0 766.4115 4800.0 776.397 13000.0 777.3999 2400.0 794.4073 17000.0 795.4108 2700.0 END IONS BEGIN IONS SCANS=153 PEPMASS=794.4436 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6600.0 120.0808 3000.0 145.0971 1400.0 201.1235 1100.0 231.1125 1400.0 249.1232 1100.0 272.1602 1200.0 303.1698 31000.0 304.1732 1300.0 330.18 2900.0 344.1962 14000.0 345.213 1100.0 362.2065 2900.0 419.2282 3100.0 422.2427 2700.0 443.2649 3400.0 450.2381 25000.0 451.2413 2500.0 461.2753 1500.0 492.2442 1100.0 492.2815 2200.0 507.2594 5500.0 514.3013 1400.0 523.2905 1500.0 532.3128 2000.0 533.2749 46000.0 534.2786 4400.0 551.2853 15000.0 552.2888 1500.0 605.3278 1600.0 605.3649 3400.0 606.3282 1800.0 632.3431 31000.0 633.3465 4400.0 650.3541 2000.0 703.379 1100.0 721.3895 1100.0 750.2955 1400.0 END IONS BEGIN IONS SCANS=154 PEPMASS=794.4442 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 80000.0 98.0966 4700.0 120.0809 24000.0 127.0863 2400.0 145.097 1500.0 155.1178 9400.0 171.1124 4900.0 173.0917 2600.0 173.1287 6400.0 183.1128 1300.0 184.0728 1200.0 190.0861 1600.0 191.1022 2800.0 199.1438 11000.0 200.1393 2100.0 201.1232 1800.0 210.1233 1400.0 221.1284 1600.0 226.1542 1800.0 227.1388 29000.0 228.1338 3800.0 231.1125 10000.0 233.1644 4400.0 238.1544 1200.0 245.1492 49000.0 246.1443 5300.0 248.1389 28000.0 249.1234 4600.0 255.1448 1200.0 256.1281 1300.0 261.1589 7100.0 264.1705 2000.0 266.1499 3300.0 272.1596 3300.0 273.1551 1400.0 275.1747 4300.0 278.1854 1300.0 282.1805 7600.0 283.1669 1100.0 283.1758 4400.0 291.1657 2200.0 300.1913 14000.0 302.1346 2200.0 302.1853 13000.0 303.1699 240000.0 304.1734 11000.0 309.1916 76000.0 310.1949 3800.0 315.2065 2800.0 320.196 5200.0 327.2019 34000.0 328.1859 5800.0 328.2048 2400.0 330.1807 7200.0 344.1962 84000.0 345.1998 3000.0 345.2126 70000.0 346.2162 3300.0 347.207 18000.0 348.191 1100.0 348.2107 1100.0 350.1699 1100.0 356.1813 2500.0 361.2227 15000.0 362.2064 7900.0 379.2336 1900.0 390.2016 1100.0 393.2121 1400.0 415.2693 10000.0 419.2278 3700.0 421.2074 13000.0 422.2111 1300.0 422.2429 11000.0 433.2797 3200.0 443.2642 9500.0 447.26 1700.0 449.202 1400.0 450.2378 80000.0 451.241 7600.0 460.291 6400.0 461.275 1800.0 474.27 5500.0 475.2542 10000.0 490.2664 1300.0 492.2444 2600.0 492.2808 68000.0 493.2842 6100.0 503.2493 3400.0 505.2807 2900.0 507.2592 6400.0 514.3026 3400.0 523.2903 3100.0 532.2916 1300.0 532.3119 2800.0 533.2748 140000.0 534.2766 7800.0 534.2915 11000.0 535.2963 1600.0 550.3013 33000.0 551.2853 29000.0 551.3048 1100.0 552.2881 2700.0 570.328 1200.0 587.3535 8100.0 588.3385 14000.0 589.341 1400.0 604.3105 1500.0 604.3482 30000.0 605.326 2900.0 605.3648 70000.0 606.329 1400.0 606.3683 7200.0 632.343 76000.0 633.3456 11000.0 649.3696 25000.0 650.3482 3200.0 650.3737 2600.0 652.3327 9200.0 653.3369 1300.0 669.3594 1400.0 678.348 10000.0 679.3445 1600.0 705.36 2400.0 721.3895 2900.0 723.3701 23000.0 723.4064 4900.0 724.3743 3200.0 749.4233 1600.0 751.4009 8200.0 759.4056 2400.0 776.4323 15000.0 777.4156 27000.0 778.4184 5500.0 794.4432 83000.0 795.4466 12000.0 END IONS BEGIN IONS SCANS=155 PEPMASS=796.3684 CHARGE=1 COLLISION_ENERGY=0.0 214.0859 1700.0 295.1105 2400.0 378.1472 1300.0 502.265 2200.0 525.2169 1700.0 624.2843 1300.0 695.32 2000.0 732.3702 5200.0 733.3744 1200.0 796.3679 18000.0 797.3719 2300.0 END IONS BEGIN IONS SCANS=156 PEPMASS=796.3685 CHARGE=1 COLLISION_ENERGY=0.0 214.0863 1600.0 295.1107 3900.0 442.1793 1600.0 502.2651 2600.0 525.2155 2800.0 624.2846 1800.0 631.3238 1700.0 649.3014 1200.0 695.3213 2400.0 732.3699 5200.0 796.3679 12000.0 797.37 1500.0 END IONS BEGIN IONS SCANS=157 PEPMASS=798.4386 CHARGE=1 COLLISION_ENERGY=0.0 120.0804 6400.0 191.1024 3800.0 201.1235 4100.0 221.1279 1700.0 231.1127 2100.0 233.1644 4300.0 247.1435 1900.0 249.1227 3900.0 261.1593 19000.0 272.1597 5700.0 290.17 1200.0 304.1649 1200.0 315.2057 1900.0 317.1846 1300.0 318.1799 1500.0 330.1804 15000.0 332.196 2400.0 344.1963 6500.0 348.191 8000.0 355.0687 2700.0 360.2273 3900.0 362.2064 2200.0 363.2063 2300.0 373.2075 3900.0 391.2178 7300.0 401.2169 3200.0 408.2273 15000.0 415.2688 1500.0 416.2533 1700.0 417.2484 1400.0 419.2281 5700.0 431.2641 1800.0 432.2268 1500.0 433.2794 1600.0 443.2644 25000.0 444.268 1200.0 450.2372 2200.0 461.2747 7200.0 462.2739 2000.0 463.2688 1600.0 464.2538 2200.0 465.248 1800.0 467.2646 1400.0 477.2485 3400.0 479.2641 1800.0 481.2799 4100.0 489.2691 1300.0 491.2641 24000.0 492.2672 1800.0 495.2587 4300.0 507.2957 1700.0 509.2748 18000.0 510.2776 1500.0 514.3014 8300.0 520.275 3500.0 521.2749 1300.0 532.3125 2400.0 536.3218 3400.0 538.2858 16000.0 539.2893 1700.0 545.3113 4900.0 548.2859 1400.0 562.3022 2600.0 562.3374 10000.0 563.3217 5000.0 564.3165 4100.0 566.2965 1000.0 580.3146 1800.0 580.348 19000.0 581.3514 1700.0 590.3325 54000.0 591.3356 5600.0 608.3428 47000.0 609.3461 5400.0 616.3483 1700.0 633.3752 1700.0 634.3571 2600.0 651.3885 4700.0 661.3695 18000.0 662.3729 2500.0 679.38 13000.0 680.3837 2300.0 762.4171 1800.0 780.4274 12000.0 781.4307 1300.0 798.4382 51000.0 798.5702 1500.0 799.4415 9000.0 END IONS BEGIN IONS SCANS=158 PEPMASS=804.3951 CHARGE=1 COLLISION_ENERGY=0.0 56.0788 2300.0 59.7217 2000.0 61.381 2300.0 62.3942 2000.0 64.0479 2300.0 67.0232 2100.0 72.0814 2900.0 75.8555 2200.0 77.2402 2400.0 78.302 2300.0 86.0967 4500.0 86.5008 2400.0 89.9355 2200.0 91.5063 8700.0 94.0324 2300.0 98.0603 5100.0 110.3614 2500.0 119.0096 2200.0 120.0361 2500.0 120.0804 3500.0 125.6642 2700.0 129.9995 2700.0 171.1127 3800.0 175.9271 3000.0 186.7629 2500.0 190.053 150000.0 199.9012 3300.0 201.1232 2400.0 231.1124 7100.0 233.1642 17000.0 234.348 2800.0 235.0608 2800.0 249.1231 3900.0 254.1494 4900.0 255.485 2900.0 261.1594 16000.0 272.1599 2900.0 275.1418 15000.0 278.1855 3100.0 285.1262 3400.0 286.7958 2600.0 303.137 330000.0 304.1404 13000.0 309.1918 4100.0 327.2023 4000.0 330.1806 26000.0 330.5891 2300.0 338.1713 8600.0 344.1962 140000.0 345.1995 12000.0 355.1967 18000.0 362.2067 15000.0 367.2334 6900.0 373.223 3400.0 378.9637 2400.0 383.1912 4800.0 386.2072 4000.0 400.8606 2500.0 401.2177 19000.0 413.2174 4500.0 415.2338 7300.0 415.2697 16000.0 417.2481 3800.0 422.2101 49000.0 423.2124 3100.0 431.2281 6500.0 433.2809 2600.0 443.2645 53000.0 444.2677 5400.0 445.2434 12000.0 450.205 200000.0 450.2718 3100.0 451.2097 16000.0 461.2755 5600.0 469.2437 7100.0 469.2805 4000.0 474.2695 4700.0 484.2526 5700.0 486.3056 5800.0 487.2546 3600.0 499.2537 4100.0 502.265 60000.0 503.2675 3300.0 514.3016 59000.0 515.2316 3800.0 515.3061 6900.0 516.2817 5900.0 522.2391 2600.0 526.3015 9000.0 530.2593 2600.0 533.2419 230000.0 534.2453 29000.0 544.3113 5800.0 551.2524 35000.0 552.2547 3700.0 557.6505 2900.0 568.3112 7400.0 570.327 3500.0 577.131 2700.0 577.5244 2600.0 587.3536 11000.0 597.3381 16000.0 598.3209 4700.0 604.3154 34000.0 605.3177 4100.0 610.3407 3100.0 615.349 250000.0 616.3523 25000.0 632.3102 190000.0 632.3466 3000.0 633.3126 26000.0 634.2891 20000.0 639.3489 3000.0 639.8948 3000.0 678.4612 2700.0 703.3474 25000.0 704.3487 3900.0 705.3268 6800.0 730.5904 2600.0 733.3561 2900.0 739.1204 2800.0 740.3973 22000.0 741.3986 3100.0 762.708 3100.0 776.3972 10000.0 786.3844 9800.0 804.3961 16000.0 END IONS BEGIN IONS SCANS=159 PEPMASS=804.428 CHARGE=1 COLLISION_ENERGY=0.0 60.4003 3100.0 60.5552 2900.0 72.0815 4000.0 75.2843 3500.0 82.9333 3700.0 85.4534 3200.0 86.0951 6000.0 86.0968 120000.0 91.5083 4900.0 95.812 3700.0 97.8909 3500.0 101.1623 3500.0 101.8785 3400.0 102.2198 3500.0 105.4053 3700.0 105.5349 3200.0 107.2067 3200.0 108.1918 3100.0 108.2278 3100.0 110.1829 3400.0 112.2402 3600.0 120.0784 5000.0 120.0809 31000.0 124.633 3600.0 130.9484 3400.0 137.9774 3600.0 141.9365 3700.0 149.1817 4100.0 155.1175 11000.0 173.0918 62000.0 175.342 3300.0 183.1127 11000.0 189.0729 3400.0 190.0864 4300.0 195.6399 4000.0 199.8719 3900.0 199.9815 4100.0 201.1232 3500.0 221.8455 3900.0 226.6941 3400.0 229.2355 3800.0 231.1126 12000.0 232.2606 3700.0 248.1382 4900.0 254.1495 5800.0 256.5176 3900.0 259.7295 4200.0 261.0859 3600.0 271.4829 3900.0 272.1596 190000.0 273.1635 5700.0 275.1748 7600.0 280.3099 4600.0 282.1444 16000.0 285.1594 27000.0 298.1756 7900.0 302.1855 92000.0 303.1696 210000.0 303.1889 6800.0 304.1725 8100.0 310.1749 9000.0 315.7535 4000.0 323.0223 4200.0 330.1805 63000.0 337.1883 4700.0 344.1961 120000.0 355.1967 130000.0 362.2072 5400.0 365.9799 4000.0 370.2124 7100.0 373.2228 15000.0 378.0 4100.0 378.302 4900.0 383.1916 19000.0 399.6299 4400.0 401.2175 160000.0 402.2214 11000.0 415.269 89000.0 416.2737 7700.0 422.2434 11000.0 432.2279 12000.0 441.2492 10000.0 443.2642 52000.0 444.2684 5900.0 448.3761 4700.0 450.238 61000.0 451.241 4400.0 455.3019 9800.0 458.2751 160000.0 459.2792 13000.0 483.2973 7100.0 484.2538 6600.0 486.3055 18000.0 502.2649 350000.0 503.2689 33000.0 507.2605 7000.0 514.3015 100000.0 515.2639 30000.0 515.3058 8300.0 533.275 200000.0 534.2776 23000.0 550.3027 9800.0 551.2855 12000.0 554.3326 7600.0 557.8124 4100.0 571.3588 34000.0 586.3385 11000.0 587.3546 7300.0 597.3392 8700.0 604.348 470000.0 605.351 53000.0 614.3313 26000.0 615.3485 350000.0 615.3799 6600.0 615.3839 4400.0 616.3517 50000.0 632.3428 460000.0 633.3464 57000.0 634.3233 11000.0 634.9563 3600.0 634.993 4500.0 662.3171 11000.0 675.3862 8400.0 682.5994 4500.0 685.3677 17000.0 703.3799 310000.0 704.3831 45000.0 705.3596 26000.0 706.3607 5900.0 733.3909 9400.0 742.4262 7400.0 745.3892 6600.0 760.4063 5800.0 760.4374 23000.0 762.4161 5200.0 776.4335 68000.0 777.4373 13000.0 786.4168 49000.0 787.4187 6600.0 804.4274 1600000.0 805.4305 280000.0 END IONS BEGIN IONS SCANS=160 PEPMASS=804.4293 CHARGE=1 COLLISION_ENERGY=0.0 61.2991 1600.0 70.5226 2100.0 71.2911 1500.0 72.0813 4200.0 72.9548 1500.0 76.7506 1500.0 85.0392 1900.0 86.0969 81000.0 93.1483 1800.0 112.621 1800.0 120.0808 33000.0 121.9048 1900.0 129.7269 1700.0 133.0853 2000.0 133.5801 1800.0 143.9774 1800.0 171.1125 5800.0 173.0916 1900.0 173.1286 2600.0 183.1127 3500.0 184.0726 4100.0 193.5512 1900.0 193.724 1900.0 201.123 4300.0 204.4627 1500.0 210.0128 1700.0 212.5694 1900.0 221.1277 2600.0 226.9088 1800.0 231.1125 15000.0 233.1649 5100.0 240.0809 2400.0 249.1229 5600.0 250.6786 1700.0 254.149 5600.0 261.1595 5800.0 267.1336 4000.0 272.1599 3200.0 274.0658 2000.0 275.1746 3700.0 282.1435 2800.0 284.1599 2500.0 302.1851 5100.0 303.1699 290000.0 304.1731 18000.0 309.1909 2500.0 310.1754 3900.0 320.7599 1900.0 327.2019 4900.0 330.1802 39000.0 332.1598 5200.0 332.5249 2100.0 337.1875 6800.0 338.1701 10000.0 339.1747 2200.0 344.1962 120000.0 345.1992 7600.0 348.637 1600.0 355.197 24000.0 358.1754 2200.0 362.2062 9000.0 365.0545 2100.0 367.2333 3900.0 373.2223 2800.0 383.1918 9100.0 385.1852 2700.0 390.8883 1900.0 394.8882 1700.0 401.2175 22000.0 402.221 1800.0 403.1961 3200.0 411.2949 1700.0 413.2173 2200.0 415.2328 3900.0 415.2688 6400.0 416.254 2100.0 419.2284 2100.0 422.2429 14000.0 427.2345 2200.0 429.4426 2200.0 431.2286 7600.0 443.2648 24000.0 445.2435 7800.0 450.2381 110000.0 451.241 8600.0 461.2735 3200.0 474.2703 6900.0 479.9998 1900.0 483.5018 1800.0 484.2546 9000.0 486.3069 4900.0 502.2649 68000.0 503.2675 6900.0 505.2802 3400.0 507.2578 10000.0 514.3014 35000.0 515.264 2600.0 515.3027 2800.0 516.2827 3100.0 523.2914 2300.0 526.3011 5500.0 530.2606 2400.0 533.2749 260000.0 534.2781 32000.0 544.3126 3800.0 551.2854 30000.0 552.2901 3100.0 570.3259 2600.0 582.5236 1800.0 587.3544 8100.0 589.8402 1900.0 597.3369 13000.0 597.4868 1900.0 604.3481 17000.0 605.3506 3400.0 606.3283 2100.0 615.1573 2000.0 615.3492 110000.0 616.3517 15000.0 628.0501 2000.0 631.2361 1700.0 632.3432 160000.0 633.346 26000.0 634.3229 17000.0 635.3235 2000.0 642.9131 2000.0 642.9407 2100.0 643.8581 1900.0 645.1387 1800.0 664.1648 1900.0 703.3807 18000.0 705.3594 6400.0 753.3973 1900.0 762.8727 2000.0 768.5951 2000.0 770.7873 2000.0 776.4337 3400.0 786.4158 10000.0 787.4998 1900.0 804.4268 6700.0 804.5591 6600.0 805.3203 2300.0 805.5916 7400.0 END IONS BEGIN IONS SCANS=161 PEPMASS=806.4104 CHARGE=1 COLLISION_ENERGY=0.0 86.0947 1700.0 86.0968 24000.0 104.0531 3100.0 120.0809 3800.0 171.1119 3900.0 173.0924 1500.0 183.1123 1800.0 191.1026 1400.0 215.0844 3000.0 231.1128 2000.0 245.1311 1100.0 261.1594 1300.0 272.1599 6500.0 275.1753 1300.0 286.1577 1000.0 287.1416 38000.0 290.1701 4400.0 303.1698 49000.0 304.1732 3200.0 309.1917 1100.0 314.1534 3900.0 327.2024 1600.0 328.1681 24000.0 328.1856 1200.0 329.1709 1800.0 330.1805 3400.0 344.1961 28000.0 345.1995 3700.0 345.2127 2400.0 355.1967 3400.0 373.2074 11000.0 373.2198 1200.0 385.1893 2100.0 388.6855 3100.0 399.2414 2100.0 401.2047 1500.0 401.2177 2500.0 406.2144 4100.0 415.27 1300.0 419.2275 1900.0 427.2358 4300.0 434.2098 25000.0 435.2137 2200.0 443.2644 6400.0 458.2406 1000.0 476.2517 1400.0 486.2368 3100.0 491.231 2300.0 492.2808 1300.0 498.273 3600.0 499.2372 1100.0 502.2658 3800.0 504.2475 13000.0 505.2507 1200.0 507.2616 1100.0 514.3024 4300.0 516.2864 1400.0 517.2469 88000.0 518.2498 8100.0 520.275 8100.0 532.3112 1500.0 535.2582 10000.0 588.3198 11000.0 589.3377 1600.0 599.3201 3600.0 605.3649 2500.0 615.3498 4200.0 616.3152 58000.0 617.3333 26000.0 618.3342 3200.0 633.3593 28000.0 634.3262 4900.0 634.3629 4000.0 636.305 5800.0 687.3515 12000.0 688.3547 1500.0 705.3636 4500.0 707.343 7000.0 707.3726 1700.0 716.3595 7600.0 717.3636 2500.0 735.3724 4800.0 760.4028 1500.0 778.4144 8500.0 779.4191 1200.0 788.3996 14000.0 789.4012 1400.0 806.41 17000.0 807.4116 3500.0 END IONS BEGIN IONS SCANS=162 PEPMASS=806.407 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 62000.0 120.0807 26000.0 120.0837 1100.0 155.0814 1100.0 162.0908 1100.0 173.0922 4700.0 185.0919 14000.0 190.0858 1600.0 203.1021 1900.0 231.1122 4600.0 233.1644 4900.0 238.1179 1800.0 249.1228 4000.0 256.1285 10000.0 261.1595 9200.0 268.1654 2200.0 274.139 2500.0 275.1744 3600.0 288.1331 1600.0 303.17 220000.0 304.1732 12000.0 311.1707 1200.0 312.1549 2100.0 313.1495 1100.0 314.1489 6200.0 319.1656 1400.0 321.1557 3400.0 322.1388 3000.0 329.181 1100.0 332.1597 19000.0 333.1633 1700.0 339.1658 6200.0 340.1499 2400.0 344.196 32000.0 345.1992 2700.0 357.1761 20000.0 358.177 1100.0 359.1703 1800.0 360.1546 1600.0 362.2069 5000.0 367.16 1800.0 369.212 1400.0 385.1725 3500.0 385.1846 3700.0 401.2176 1800.0 403.1971 6100.0 415.1971 5300.0 415.2334 1700.0 417.2483 1700.0 419.2289 1200.0 422.243 12000.0 423.2459 1300.0 427.2334 7700.0 433.207 2300.0 441.2124 1100.0 445.2438 23000.0 446.2462 2600.0 450.2379 96000.0 451.2408 9000.0 453.2336 1100.0 458.2385 1600.0 459.2232 1800.0 460.2178 5900.0 463.2542 2300.0 468.2226 3500.0 470.2599 1600.0 472.254 2600.0 476.2496 3100.0 486.2337 20000.0 487.2368 1900.0 488.2857 1200.0 498.2701 6900.0 502.2639 1300.0 504.2443 58000.0 505.2478 6900.0 505.2805 1400.0 507.2592 2100.0 510.2697 3200.0 516.2805 13000.0 517.2471 1300.0 517.2843 1400.0 523.2907 1500.0 528.2803 3500.0 533.2748 52000.0 534.2462 1000.0 534.2779 5400.0 546.2911 2200.0 551.2851 15000.0 552.2892 2500.0 573.301 3600.0 581.3062 5600.0 588.3175 1000.0 589.3329 4200.0 590.2964 3100.0 599.3178 21000.0 600.3212 2900.0 606.3273 3400.0 608.3065 1600.0 615.3481 1100.0 616.3121 22000.0 616.354 1300.0 617.3282 140000.0 618.3314 18000.0 632.3427 1800.0 633.3126 1200.0 634.3223 73000.0 635.3262 10000.0 652.3326 1600.0 661.3342 1200.0 687.3489 9200.0 705.3583 5200.0 717.3582 4500.0 762.4152 1000.0 770.3853 5600.0 778.4126 2700.0 788.3964 14000.0 789.3993 2900.0 805.591 1800.0 806.4054 5700.0 806.4743 3000.0 806.5779 2100.0 807.4113 1400.0 END IONS BEGIN IONS SCANS=163 PEPMASS=806.4647 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7800.0 120.0806 1500.0 191.1021 1300.0 201.1236 1800.0 269.1853 8900.0 272.1601 4100.0 296.1961 1500.0 303.1698 28000.0 304.1734 2900.0 310.2119 5300.0 328.2226 1100.0 330.1805 1000.0 344.1961 4000.0 373.2073 2700.0 385.2435 2400.0 388.2588 3100.0 391.2179 3000.0 409.2804 2700.0 416.2536 39000.0 417.2569 2200.0 419.2284 1100.0 427.2912 1600.0 443.2649 1500.0 451.2085 2000.0 473.2757 6200.0 480.3177 1100.0 489.3065 1300.0 498.3275 2300.0 499.2906 66000.0 500.2939 6800.0 503.235 1100.0 504.3018 2800.0 517.2468 1400.0 517.3011 21000.0 518.3036 2400.0 533.2426 1300.0 534.2473 1900.0 538.2868 1100.0 570.3639 1300.0 572.3425 2100.0 598.3589 59000.0 599.3607 7000.0 615.3157 1200.0 616.3185 4800.0 616.3688 4100.0 617.3204 1600.0 617.3865 7400.0 633.313 3100.0 651.3709 3100.0 669.3954 1200.0 687.4069 2400.0 788.4535 2600.0 END IONS BEGIN IONS SCANS=164 PEPMASS=808.4235 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 9700.0 86.0967 1300.0 120.0809 3700.0 171.1128 1300.0 231.1123 2700.0 272.1602 1900.0 289.154 32000.0 290.1572 1400.0 290.1705 1600.0 303.1699 7800.0 330.1805 20000.0 331.1836 1600.0 344.1962 3100.0 348.1909 1100.0 355.1976 1300.0 373.2072 3300.0 401.2024 1100.0 401.217 3000.0 401.2537 1800.0 405.2123 1100.0 419.2281 1400.0 429.2485 3200.0 436.2221 9700.0 450.2377 8300.0 492.28 1100.0 500.2855 3000.0 502.2644 2900.0 506.2602 1500.0 507.2594 1600.0 518.2968 1900.0 519.2592 26000.0 520.277 9500.0 533.2748 9800.0 537.2695 3500.0 551.285 3500.0 590.3336 3000.0 591.3483 1400.0 601.3329 2500.0 618.3272 17000.0 619.3447 20000.0 620.347 1400.0 632.3427 8900.0 633.3467 1300.0 636.3368 1100.0 638.3164 1400.0 689.3649 3600.0 690.3665 1100.0 707.3732 1600.0 709.3529 1500.0 737.3837 1200.0 780.4277 2000.0 790.4123 3500.0 808.4223 4900.0 END IONS BEGIN IONS SCANS=165 PEPMASS=808.4229 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0808 11000.0 157.097 4100.0 173.0913 1800.0 231.1125 6000.0 231.1333 1100.0 233.1645 1700.0 240.1339 1400.0 249.1229 1100.0 258.1445 7100.0 261.1591 2500.0 275.1744 1700.0 276.1548 3300.0 288.1697 1400.0 295.1756 2000.0 303.1699 110000.0 304.1728 4300.0 313.1863 1600.0 314.1706 1300.0 316.1648 11000.0 323.1703 1100.0 331.1967 3700.0 341.1812 4700.0 344.1962 47000.0 345.1997 2900.0 359.1917 9700.0 362.2067 2100.0 387.1871 2200.0 387.2019 6600.0 401.2543 2700.0 405.2131 1900.0 422.2434 4100.0 429.2489 9400.0 444.2594 1600.0 450.2379 29000.0 451.2416 2500.0 472.291 1100.0 478.2649 2400.0 488.2496 8700.0 500.2855 7800.0 506.26 29000.0 507.2613 4500.0 518.2977 2000.0 519.259 1000.0 533.2749 75000.0 534.2549 1700.0 534.2783 7900.0 550.301 1100.0 551.285 8800.0 552.2878 1400.0 583.3221 1300.0 590.3323 7800.0 591.3501 4800.0 601.3331 11000.0 618.3273 44000.0 619.3445 52000.0 620.3469 6700.0 635.3538 1500.0 636.3372 3700.0 652.3329 4400.0 689.3641 10000.0 690.3672 1200.0 707.3744 3400.0 709.3895 1400.0 723.3691 2500.0 737.3862 4800.0 763.402 2100.0 780.4274 6600.0 790.4122 13000.0 791.4164 1800.0 808.4225 13000.0 809.4251 2600.0 END IONS BEGIN IONS SCANS=166 PEPMASS=808.4232 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 43000.0 120.0808 11000.0 157.097 4100.0 173.0913 1800.0 231.1125 6000.0 231.1333 1100.0 233.1645 1700.0 240.1339 1400.0 249.1229 1100.0 258.1445 7100.0 261.1591 2500.0 275.1744 1700.0 276.1548 3300.0 288.1697 1400.0 295.1756 2000.0 303.1699 110000.0 304.1728 4300.0 313.1863 1600.0 314.1706 1300.0 316.1648 11000.0 323.1703 1100.0 331.1967 3700.0 341.1812 4700.0 344.1962 47000.0 345.1997 2900.0 359.1917 9700.0 362.2067 2100.0 387.1871 2200.0 387.2019 6600.0 401.2543 2700.0 405.2131 1900.0 422.2434 4100.0 429.2489 9400.0 444.2594 1600.0 450.2379 29000.0 451.2416 2500.0 472.291 1100.0 478.2649 2400.0 488.2496 8700.0 500.2855 7800.0 506.26 29000.0 507.2613 4500.0 518.2977 2000.0 519.259 1000.0 533.2749 75000.0 534.2549 1700.0 534.2783 7900.0 550.301 1100.0 551.285 8800.0 552.2878 1400.0 583.3221 1300.0 590.3323 7800.0 591.3501 4800.0 601.3331 11000.0 618.3273 44000.0 619.3445 52000.0 620.3469 6700.0 635.3538 1500.0 636.3372 3700.0 652.3329 4400.0 689.3641 10000.0 690.3672 1200.0 707.3744 3400.0 709.3895 1400.0 723.3691 2500.0 737.3862 4800.0 763.402 2100.0 780.4274 6600.0 790.4122 13000.0 791.4164 1800.0 808.4225 13000.0 809.4251 2600.0 END IONS BEGIN IONS SCANS=167 PEPMASS=808.4228 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 3600.0 86.0968 57000.0 91.5082 1100.0 118.0862 1300.0 120.0807 16000.0 159.0763 1200.0 162.0913 1300.0 171.1127 6200.0 177.0863 1100.0 190.0864 1900.0 191.1031 1400.0 231.1129 8900.0 233.1646 3600.0 240.134 1200.0 254.1493 1400.0 258.1442 3900.0 261.1594 5900.0 269.1852 1100.0 272.1599 4400.0 275.1747 2300.0 276.1548 4800.0 290.1699 3200.0 295.1757 1700.0 302.1852 1600.0 303.17 170000.0 304.1731 7900.0 313.1863 2000.0 314.1701 1300.0 316.1644 6600.0 323.1709 1900.0 330.1806 34000.0 331.1852 1500.0 331.197 3600.0 336.1542 1600.0 341.1817 4800.0 344.1963 55000.0 345.1995 3100.0 359.1918 12000.0 360.1921 1100.0 362.2062 1300.0 387.1869 3100.0 387.2014 2000.0 401.2178 4100.0 401.2549 1600.0 405.2128 1300.0 407.1906 1300.0 415.2693 3200.0 419.2287 1900.0 422.2432 6000.0 429.2497 5300.0 436.2557 1100.0 443.2653 9800.0 449.2398 1700.0 450.238 44000.0 451.2414 5300.0 478.2653 3700.0 488.2497 10000.0 500.2862 1900.0 501.2942 1000.0 506.2603 43000.0 507.2626 5900.0 514.3013 5900.0 518.2954 1200.0 519.2594 29000.0 520.2631 2800.0 520.2792 1100.0 532.3126 1800.0 533.275 95000.0 534.255 2000.0 534.278 11000.0 537.2715 3100.0 550.3013 1000.0 551.286 6900.0 552.2901 1200.0 574.3218 1100.0 583.322 1800.0 590.3318 2300.0 591.3487 6900.0 601.3333 9100.0 602.3379 1100.0 604.3483 6800.0 605.3506 1000.0 618.3272 16000.0 619.3439 97000.0 620.347 8700.0 632.3433 44000.0 633.3469 6200.0 635.3669 1400.0 636.3381 1500.0 638.3165 9000.0 650.3531 2000.0 689.3652 1700.0 703.3806 7100.0 709.3542 6900.0 709.3909 2200.0 721.3906 1800.0 737.3855 6300.0 762.4175 1500.0 763.4017 2100.0 780.4272 10000.0 781.431 1300.0 790.412 12000.0 791.4153 1300.0 808.4232 19000.0 809.4268 4200.0 END IONS BEGIN IONS SCANS=168 PEPMASS=808.4234 CHARGE=1 COLLISION_ENERGY=0.0 60.4766 7900.0 62.8567 8300.0 64.061 8500.0 66.5239 6900.0 66.6005 9600.0 66.8932 7600.0 68.8357 8000.0 72.0812 8900.0 77.3576 7700.0 80.0089 8000.0 85.8589 7400.0 86.0968 500000.0 93.8159 8000.0 119.4382 9200.0 120.0781 14000.0 120.0808 120000.0 138.0783 8700.0 157.0969 14000.0 159.0767 12000.0 160.8328 9900.0 162.0913 11000.0 163.9681 8000.0 164.3958 7700.0 168.6155 8900.0 174.4854 8600.0 176.4185 9200.0 190.0862 15000.0 215.9679 7700.0 218.4346 7500.0 218.8664 9100.0 227.4171 8400.0 231.1127 79000.0 233.1646 29000.0 253.0087 7800.0 258.1441 91000.0 261.1595 19000.0 263.3456 8700.0 269.4958 9200.0 275.1745 27000.0 276.1549 98000.0 295.1766 12000.0 302.1859 13000.0 303.1699 1100000.0 304.1736 59000.0 311.1254 10000.0 313.1852 20000.0 314.1707 11000.0 323.5032 9100.0 324.0017 8600.0 330.1812 95000.0 330.5044 8600.0 331.1971 28000.0 341.1812 27000.0 342.5692 8500.0 344.1964 600000.0 345.2 43000.0 359.1916 46000.0 387.1861 26000.0 387.2018 23000.0 415.2703 25000.0 422.243 46000.0 443.2639 78000.0 444.2608 17000.0 450.2381 180000.0 451.2422 27000.0 470.2386 10000.0 478.2652 25000.0 488.2499 85000.0 489.252 15000.0 500.2859 26000.0 506.2604 300000.0 507.2623 29000.0 515.2653 12000.0 520.2765 15000.0 531.8282 9000.0 532.3668 11000.0 533.275 700000.0 534.256 17000.0 534.2784 65000.0 551.2857 34000.0 562.1536 9400.0 591.3495 31000.0 592.3531 9100.0 601.3333 84000.0 602.3357 13000.0 604.3482 60000.0 618.33 11000.0 619.1011 10000.0 619.3441 730000.0 620.3477 75000.0 624.6219 9400.0 632.3433 280000.0 633.3455 29000.0 636.0532 9000.0 689.3646 53000.0 709.3536 33000.0 710.4407 8900.0 755.6345 8900.0 762.4156 12000.0 763.4036 11000.0 780.4272 47000.0 790.4117 140000.0 791.4148 25000.0 808.4225 100000.0 809.4238 14000.0 824.2997 9100.0 END IONS BEGIN IONS SCANS=169 PEPMASS=810.4032 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4900.0 120.0808 2500.0 231.1131 1100.0 261.1595 1300.0 303.1697 24000.0 304.1732 1200.0 321.1075 1200.0 330.1808 2900.0 344.1961 8600.0 420.176 1600.0 422.2429 1700.0 434.1913 9600.0 443.2644 2900.0 450.2377 11000.0 451.2413 1000.0 491.2134 2500.0 514.3018 2600.0 533.2749 33000.0 534.2787 4000.0 576.3012 1200.0 604.2955 1100.0 621.3226 4100.0 623.2702 6600.0 632.343 30000.0 633.3462 3300.0 END IONS BEGIN IONS SCANS=170 PEPMASS=812.4186 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 91.5062 1100.0 120.0809 1100.0 244.129 1500.0 302.1494 1600.0 303.1695 11000.0 344.1966 1800.0 362.2063 1500.0 363.1868 1200.0 391.1966 1500.0 415.2335 1400.0 450.2377 11000.0 492.2439 1200.0 507.2593 2400.0 510.2541 1900.0 533.2745 9500.0 534.2778 1200.0 551.2857 4600.0 604.3121 11000.0 605.3131 1000.0 622.3215 1900.0 623.3386 4100.0 794.4053 1600.0 END IONS BEGIN IONS SCANS=171 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=172 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=173 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=174 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=175 PEPMASS=815.2147 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=176 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=177 PEPMASS=815.2145 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=178 PEPMASS=815.2136 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=179 PEPMASS=815.2138 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=180 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=181 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=182 PEPMASS=815.214 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 2100.0 167.0554 3500.0 225.043 1700.0 239.0945 6500.0 285.0089 1800.0 299.061 9700.0 355.0692 26000.0 356.0691 2700.0 359.0276 4200.0 373.08 1200.0 415.0356 3000.0 429.0875 1500.0 END IONS BEGIN IONS SCANS=183 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=184 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=185 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=186 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=187 PEPMASS=815.2141 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=188 PEPMASS=815.2134 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 3200.0 221.084 1100.0 225.0425 1800.0 239.0946 6300.0 281.0504 1000.0 285.0094 2200.0 299.0612 11000.0 355.0691 29000.0 356.0692 1600.0 359.0277 3600.0 373.0801 2200.0 415.0359 3900.0 429.088 2000.0 616.3514 1100.0 END IONS BEGIN IONS SCANS=189 PEPMASS=815.2131 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1600.0 167.0553 2900.0 221.0843 1600.0 225.0424 2100.0 239.0946 6600.0 281.0506 1100.0 285.0092 1600.0 299.0612 11000.0 355.0693 28000.0 356.068 2300.0 359.0272 4500.0 373.0799 1400.0 415.036 3300.0 429.0874 1800.0 815.2514 1200.0 END IONS BEGIN IONS SCANS=190 PEPMASS=815.2135 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1700.0 167.0549 2200.0 225.0426 1300.0 239.0944 5600.0 285.009 1300.0 299.0613 8100.0 355.0691 21000.0 356.0678 1700.0 359.0274 3700.0 373.0795 1000.0 415.0366 2300.0 429.0881 1700.0 END IONS BEGIN IONS SCANS=191 PEPMASS=815.2142 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=192 PEPMASS=815.2139 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=193 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0578 1400.0 167.0549 2300.0 225.0426 1100.0 239.0948 5200.0 285.0082 1700.0 299.0613 8400.0 355.0692 25000.0 356.069 1200.0 359.0276 3100.0 373.0793 1500.0 415.0358 2400.0 429.0873 1400.0 END IONS BEGIN IONS SCANS=194 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1300.0 167.0556 1900.0 225.0428 1100.0 239.0948 5800.0 281.0497 1200.0 285.009 1200.0 299.0613 9500.0 355.0694 23000.0 356.0688 1800.0 359.0274 4000.0 373.0796 1900.0 415.0356 3400.0 429.0882 1400.0 END IONS BEGIN IONS SCANS=195 PEPMASS=815.2142 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1800.0 167.0553 2200.0 221.0842 1400.0 225.0425 1200.0 239.0945 5100.0 281.0508 1100.0 285.0092 1500.0 299.0611 9300.0 355.0692 23000.0 356.0681 1700.0 359.0277 4000.0 373.08 1400.0 415.0356 2800.0 429.088 2200.0 END IONS BEGIN IONS SCANS=196 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=197 PEPMASS=815.2145 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=198 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=199 PEPMASS=815.2149 CHARGE=1 COLLISION_ENERGY=0.0 167.0554 2200.0 225.0426 1000.0 239.0948 5200.0 285.0081 1900.0 299.0611 10000.0 355.0692 23000.0 356.0706 1100.0 359.0273 3400.0 373.08 1500.0 415.0356 3300.0 418.9944 1000.0 429.0876 1700.0 END IONS BEGIN IONS SCANS=200 PEPMASS=815.215 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1200.0 167.0551 2300.0 239.0945 6000.0 285.0092 2100.0 299.061 9100.0 355.0691 22000.0 356.069 2300.0 359.0278 4300.0 373.0801 1300.0 415.0353 2800.0 429.0883 2100.0 END IONS BEGIN IONS SCANS=201 PEPMASS=815.216 CHARGE=1 COLLISION_ENERGY=0.0 91.0577 1200.0 167.0551 2300.0 239.0945 6000.0 285.0092 2100.0 299.061 9100.0 355.0691 22000.0 356.069 2300.0 359.0278 4300.0 373.0801 1300.0 415.0353 2800.0 429.0883 2100.0 END IONS BEGIN IONS SCANS=202 PEPMASS=815.2136 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=203 PEPMASS=815.2137 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=204 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=205 PEPMASS=815.2138 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=206 PEPMASS=815.2139 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=207 PEPMASS=815.2143 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=208 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=209 PEPMASS=815.2148 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=210 PEPMASS=815.2144 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=211 PEPMASS=815.2155 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=212 PEPMASS=815.2155 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=213 PEPMASS=815.2151 CHARGE=1 COLLISION_ENERGY=0.0 91.0579 1000.0 167.0546 2000.0 225.0426 1800.0 239.0946 6600.0 281.0503 1200.0 285.0084 1600.0 299.0612 11000.0 355.0692 28000.0 356.0683 1600.0 359.0276 4000.0 373.0798 1600.0 415.0359 3400.0 429.0878 2300.0 END IONS BEGIN IONS SCANS=214 PEPMASS=818.4107 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3200.0 120.0809 1500.0 204.0689 19000.0 233.1647 1700.0 239.0945 1600.0 261.1598 2700.0 299.0617 1900.0 303.1698 6700.0 317.1521 21000.0 318.1557 1100.0 330.1804 2000.0 344.196 13000.0 351.1656 3300.0 355.0693 4700.0 355.1969 1300.0 356.0697 3000.0 357.0652 2800.0 415.2691 1700.0 436.2258 2700.0 443.2646 5200.0 450.2376 1100.0 459.2114 1100.0 464.2208 14000.0 498.2334 4100.0 502.265 4800.0 514.3011 5400.0 544.3115 1000.0 547.2573 13000.0 548.2603 1000.0 565.2668 2000.0 587.353 1500.0 597.3388 2100.0 611.3186 1900.0 615.3489 23000.0 616.352 3100.0 618.33 2100.0 629.3257 1100.0 646.3255 12000.0 647.3279 1900.0 648.3041 1400.0 717.3625 2200.0 754.4108 2300.0 818.3776 1100.0 818.4076 1200.0 END IONS BEGIN IONS SCANS=215 PEPMASS=818.4447 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 10000.0 91.508 1400.0 120.0809 4000.0 184.073 12000.0 185.0763 1200.0 231.1127 1700.0 233.1646 1200.0 239.0943 1800.0 261.1594 1400.0 299.0616 2400.0 300.0612 1300.0 301.0582 1100.0 303.1698 18000.0 317.1854 18000.0 330.1798 3300.0 344.1961 22000.0 355.0694 4400.0 355.1969 1700.0 356.0693 3000.0 357.0652 2700.0 362.2068 1200.0 369.2129 1700.0 401.2179 1800.0 415.2334 2500.0 443.2644 2100.0 445.2435 1600.0 450.238 7500.0 457.2796 1500.0 464.2534 6400.0 502.2647 4300.0 507.2593 1200.0 514.3012 2800.0 516.2806 5000.0 528.3173 2300.0 533.2748 22000.0 534.2781 2700.0 547.2905 14000.0 548.2935 1700.0 551.2847 2900.0 565.3006 2100.0 597.3383 1200.0 611.3536 1200.0 615.3489 9500.0 616.3534 1600.0 618.3646 2000.0 629.3647 7800.0 634.3231 1300.0 638.6065 1400.0 646.3586 20000.0 647.36 2300.0 717.3959 2600.0 800.4296 1100.0 817.5742 3100.0 817.6274 3900.0 818.5354 1300.0 818.5804 1300.0 818.6334 2800.0 END IONS BEGIN IONS SCANS=216 PEPMASS=820.4237 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 1700.0 120.0809 2700.0 130.0863 4300.0 162.0912 1800.0 190.0857 6100.0 231.112 3000.0 269.1854 1500.0 272.1598 1200.0 303.1699 5900.0 319.1646 11000.0 330.1806 8600.0 344.1969 1500.0 355.0692 1000.0 355.1976 1800.0 360.191 3600.0 383.1917 1600.0 401.2176 3600.0 416.254 7800.0 431.2283 1300.0 439.255 1100.0 459.2589 1600.0 466.2329 21000.0 467.2368 2000.0 473.2751 2000.0 477.2694 1000.0 484.2549 1300.0 499.2906 12000.0 500.2938 1100.0 502.2652 13000.0 503.2685 1300.0 517.3007 3800.0 530.2962 4800.0 531.2596 4800.0 549.2695 10000.0 550.2724 1100.0 567.2801 1600.0 598.359 14000.0 599.3608 1600.0 613.3335 1600.0 630.3268 1100.0 631.3438 24000.0 631.4003 1100.0 632.3486 2200.0 648.3383 11000.0 649.34 1300.0 719.3742 2900.0 802.4119 3100.0 820.4226 3700.0 END IONS BEGIN IONS SCANS=217 PEPMASS=820.4232 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 18000.0 120.0807 1200.0 130.0974 1400.0 136.0756 1900.0 146.06 6600.0 171.1127 1500.0 190.0863 1500.0 229.0966 5000.0 233.1647 1700.0 247.1073 9800.0 254.1494 8300.0 259.1434 4900.0 272.1599 1800.0 277.1541 1400.0 303.1698 28000.0 304.1732 1900.0 311.1708 1400.0 328.1646 7900.0 330.1432 1900.0 337.1868 1200.0 338.1706 1600.0 342.1805 1500.0 344.1959 2100.0 346.1754 8200.0 355.197 6500.0 360.191 19000.0 361.1945 1500.0 381.1762 1900.0 383.1917 1100.0 399.2021 5800.0 417.2123 3900.0 424.2543 1100.0 431.2636 1000.0 433.2431 1100.0 441.2487 1000.0 443.2281 36000.0 444.2318 3300.0 447.2227 1400.0 448.2224 6600.0 459.2112 1300.0 459.2591 4100.0 461.2387 4500.0 466.2332 6500.0 490.2651 1000.0 500.2492 11000.0 512.286 3400.0 518.2599 15000.0 519.2637 1100.0 530.2964 1600.0 531.2596 11000.0 532.2626 1300.0 533.2752 1000.0 542.296 2500.0 544.2767 1400.0 549.2693 11000.0 550.2734 1000.0 567.2803 1600.0 602.3331 1200.0 603.348 1500.0 613.3334 15000.0 614.3365 1800.0 620.343 1000.0 630.3278 7800.0 631.3439 28000.0 632.3059 1100.0 632.3462 3000.0 648.3381 20000.0 649.3406 2400.0 701.3644 3100.0 719.3761 1700.0 802.4121 7800.0 803.4135 1200.0 820.4228 1800.0 END IONS BEGIN IONS SCANS=218 PEPMASS=820.4237 CHARGE=1 COLLISION_ENERGY=0.0 58.679 7000.0 61.6272 8100.0 65.6814 8100.0 72.081 14000.0 74.2033 6700.0 77.151 7700.0 85.6177 7300.0 86.0968 470000.0 91.3506 8300.0 94.4152 6800.0 95.826 9200.0 99.6199 7600.0 105.8736 8700.0 106.4417 8400.0 109.2749 8200.0 116.1797 7700.0 120.0808 230000.0 132.3681 7800.0 145.7168 8700.0 155.441 7500.0 168.1442 8100.0 171.113 39000.0 173.1282 19000.0 174.4976 9100.0 178.0856 16000.0 183.113 11000.0 184.9181 7200.0 201.1232 31000.0 206.0808 11000.0 228.1339 14000.0 231.1126 130000.0 232.4899 8200.0 233.1644 24000.0 249.123 24000.0 254.1492 26000.0 254.2558 8200.0 261.1593 12000.0 266.1503 7900.0 267.1336 30000.0 272.16 23000.0 277.155 8300.0 285.1593 11000.0 291.1697 59000.0 296.3168 9100.0 296.5244 8400.0 302.1861 23000.0 303.1697 51000.0 307.8705 8400.0 309.1913 16000.0 310.1754 25000.0 314.7641 7800.0 317.3035 8400.0 319.1648 1900000.0 320.1683 99000.0 327.2032 13000.0 330.1807 230000.0 330.4755 10000.0 331.1853 10000.0 332.1594 45000.0 337.1856 43000.0 338.171 61000.0 344.1962 310000.0 345.1997 12000.0 348.1911 13000.0 355.1968 150000.0 361.7127 8500.0 362.2062 12000.0 367.2351 17000.0 374.168 9600.0 374.8932 8700.0 383.1913 33000.0 385.1861 12000.0 401.2179 120000.0 403.1966 17000.0 413.218 23000.0 415.2697 19000.0 431.2281 55000.0 438.2373 62000.0 443.2646 87000.0 445.245 19000.0 457.2426 19000.0 466.233 730000.0 467.2361 76000.0 468.9391 8200.0 474.2705 35000.0 484.2547 58000.0 486.3075 11000.0 502.2651 410000.0 503.2687 37000.0 514.3012 86000.0 521.2754 29000.0 523.254 73000.0 526.3027 12000.0 531.259 20000.0 533.2742 39000.0 539.2848 26000.0 549.2698 2000000.0 550.273 210000.0 566.2966 12000.0 567.2804 200000.0 568.2834 25000.0 587.3543 15000.0 597.3394 18000.0 615.3491 270000.0 616.3527 29000.0 620.3095 8900.0 620.3143 12000.0 620.343 130000.0 621.3468 15000.0 622.3223 22000.0 628.9662 9000.0 630.3278 11000.0 631.3437 12000.0 632.3428 18000.0 648.3379 1100000.0 649.3416 140000.0 650.3177 110000.0 666.3478 32000.0 691.379 14000.0 719.3752 170000.0 720.3792 24000.0 721.3541 34000.0 721.692 9200.0 722.3577 8900.0 749.3847 12000.0 768.797 7700.0 792.4284 46000.0 802.4122 46000.0 803.4134 9600.0 820.4226 44000.0 829.0511 9100.0 838.608 8100.0 END IONS BEGIN IONS SCANS=219 PEPMASS=820.4598 CHARGE=1 COLLISION_ENERGY=0.0 59.828 1400.0 61.2956 1200.0 61.8722 1300.0 63.9778 1400.0 65.8967 1400.0 66.4787 1400.0 70.2834 1400.0 71.9599 1400.0 73.0158 1500.0 79.0919 1400.0 80.7645 1500.0 85.1208 1500.0 86.0968 65000.0 88.7517 1600.0 104.6193 1500.0 106.5868 1800.0 116.4304 1500.0 116.886 1500.0 120.0781 3000.0 120.0808 24000.0 123.1576 1500.0 129.1794 1700.0 135.7407 1600.0 157.1222 3200.0 161.2805 1700.0 161.7981 1900.0 171.1125 12000.0 173.1288 2000.0 176.44 1900.0 186.5506 1500.0 189.1228 2500.0 189.3555 1800.0 201.123 2200.0 209.7765 1600.0 231.1125 14000.0 231.479 1700.0 233.1644 6400.0 249.1231 4600.0 261.1596 3700.0 271.6207 1500.0 272.1595 9300.0 275.1743 3700.0 282.1443 1800.0 286.9197 1900.0 288.1909 7700.0 300.1709 1800.0 301.1538 2000.0 301.1738 1700.0 302.1486 3100.0 302.1859 4400.0 303.1698 190000.0 304.1732 8500.0 318.3512 1700.0 319.1645 29000.0 325.2225 1900.0 327.1649 3000.0 330.1804 21000.0 331.1842 2200.0 334.3683 1900.0 343.2332 6100.0 344.1962 99000.0 344.5718 1600.0 345.1996 6900.0 348.191 1700.0 353.2174 2700.0 355.197 2300.0 361.7534 1800.0 362.2062 8600.0 367.2337 3600.0 371.1911 3900.0 371.2281 6100.0 373.1863 2600.0 392.4529 1700.0 401.2174 9200.0 415.2335 2600.0 415.2536 2000.0 415.2698 5100.0 419.228 17000.0 420.232 2000.0 422.2433 12000.0 438.2377 2600.0 443.264 17000.0 445.2448 1900.0 450.2381 97000.0 451.2413 7500.0 461.2737 2800.0 465.2188 1700.0 466.2328 12000.0 466.3018 4100.0 473.2747 1700.0 474.2341 24000.0 474.2708 2100.0 486.2699 5200.0 490.3011 3700.0 492.3103 1800.0 500.2858 4800.0 502.265 9700.0 504.3154 1900.0 507.26 5700.0 514.3012 15000.0 518.2597 9100.0 518.2961 15000.0 523.2921 5900.0 532.3115 15000.0 533.2748 180000.0 534.278 14000.0 548.2574 2000.0 549.2695 37000.0 550.2718 4700.0 551.2854 44000.0 552.2889 4800.0 567.2794 4000.0 569.3065 2900.0 587.3177 38000.0 603.385 6600.0 604.3118 28000.0 604.3455 7400.0 606.329 2700.0 613.368 6200.0 615.3488 6100.0 620.3423 2500.0 622.3203 2500.0 622.3577 1700.0 631.3433 27000.0 631.3796 31000.0 632.3431 130000.0 632.3842 4000.0 633.3466 17000.0 634.3223 4500.0 648.3378 21000.0 649.3417 3100.0 650.3192 3200.0 650.3528 24000.0 651.3544 2800.0 666.3488 2100.0 675.3499 4200.0 701.8766 1700.0 703.3796 12000.0 703.4265 1800.0 705.3604 3200.0 719.3738 4900.0 719.4207 1700.0 721.3575 1900.0 721.3902 31000.0 722.3918 4600.0 723.7094 1900.0 740.1662 1800.0 758.3862 2700.0 761.5755 1900.0 776.3936 5400.0 792.428 2900.0 792.4619 6200.0 802.4106 4400.0 802.4499 3500.0 819.437 6700.0 820.4631 8200.0 820.5562 2000.0 END IONS BEGIN IONS SCANS=220 PEPMASS=821.4216 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1100.0 303.1691 2200.0 344.1634 1200.0 450.2049 5200.0 502.2321 6100.0 533.2415 4400.0 615.3162 14000.0 616.3185 1700.0 632.3101 9000.0 633.3134 1700.0 707.391 1100.0 804.3951 2200.0 END IONS BEGIN IONS SCANS=221 PEPMASS=821.4307 CHARGE=1 COLLISION_ENERGY=0.0 59.989 1600.0 61.7106 1500.0 61.7992 1500.0 63.4406 1600.0 66.0545 1500.0 67.7641 1500.0 68.9398 1900.0 70.1598 1400.0 71.3531 1700.0 72.0811 26000.0 74.0604 2700.0 74.5035 1700.0 74.8239 1700.0 80.6765 1900.0 82.8721 1700.0 82.8738 1700.0 86.0968 890000.0 91.5081 4100.0 92.1506 1800.0 95.489 1900.0 95.5989 1800.0 95.7877 1600.0 98.5434 5600.0 98.8927 1700.0 99.9161 1800.0 105.8448 2700.0 105.9144 2000.0 111.6439 1900.0 112.9944 1700.0 120.0656 11000.0 120.0773 5500.0 120.0809 210000.0 127.084 1900.0 129.0148 1600.0 130.0499 1900.0 133.7761 1700.0 135.4172 1700.0 135.4832 1900.0 136.0752 5200.0 137.9085 1900.0 143.1178 5400.0 143.6407 1700.0 145.0217 2300.0 155.1178 8900.0 156.5592 1800.0 157.0972 6300.0 162.0912 9500.0 171.1126 86000.0 173.0922 33000.0 173.1276 3300.0 175.1075 7200.0 175.4577 1700.0 179.998 2100.0 183.1126 19000.0 187.1078 2900.0 190.0858 16000.0 191.1024 23000.0 199.1076 2700.0 199.9272 2000.0 201.1234 13000.0 203.1179 2000.0 210.1241 1700.0 211.1079 4200.0 221.1283 5700.0 227.1387 8700.0 228.1343 4000.0 231.1125 110000.0 233.1646 35000.0 245.1494 12000.0 245.1577 1900.0 246.1438 13000.0 247.107 2500.0 248.1388 1900.0 249.1231 15000.0 254.1494 20000.0 261.1591 43000.0 272.1598 130000.0 275.1747 35000.0 276.1697 2400.0 278.1867 2100.0 282.1444 7200.0 283.1749 2800.0 284.1599 2200.0 285.1587 10000.0 290.1702 93000.0 296.1971 3200.0 300.1906 4300.0 302.1508 2100.0 302.1857 30000.0 303.1698 2300000.0 304.1731 20000.0 309.1908 26000.0 316.1652 2300.0 318.1802 3900.0 320.1965 5700.0 327.202 26000.0 328.186 23000.0 329.1812 2600.0 330.1805 230000.0 332.1967 1800.0 337.1862 19000.0 338.1703 2300.0 344.1963 1000000.0 345.2004 4900.0 345.2122 59000.0 346.1752 14000.0 347.179 2900.0 347.2065 11000.0 347.6788 1800.0 348.1912 13000.0 350.1706 11000.0 352.0421 1900.0 353.1815 5100.0 355.1969 81000.0 356.1969 2300.0 358.1749 11000.0 360.1908 19000.0 361.1945 5100.0 361.2225 3700.0 362.2064 34000.0 364.1858 5600.0 367.2331 10000.0 371.1921 7800.0 372.1936 4000.0 373.2073 170000.0 378.1652 2700.0 378.2018 2200.0 383.1922 8200.0 385.244 3300.0 389.2539 4800.0 391.2333 2700.0 393.2125 2900.0 401.2024 51000.0 401.2177 90000.0 403.1964 7800.0 405.212 4000.0 415.2327 8200.0 415.2692 56000.0 417.2117 5000.0 417.2474 2700.0 419.2283 43000.0 421.207 19000.0 422.2426 85000.0 429.2121 5500.0 431.2282 5400.0 432.2272 2000.0 433.2442 6900.0 433.2802 7900.0 443.2641 190000.0 445.244 4700.0 447.2242 2200.0 449.2009 3500.0 449.2399 2600.0 450.2378 710000.0 451.2413 4800.0 457.2434 5700.0 458.2382 4000.0 458.2749 17000.0 459.2582 8500.0 460.2632 3200.0 460.2914 2400.0 461.0591 2200.0 461.2747 13000.0 463.2535 13000.0 466.1908 2100.0 466.2329 18000.0 467.2356 7500.0 468.2812 15000.0 469.2805 1900.0 471.2597 2500.0 474.2698 8500.0 475.2544 4300.0 476.2489 3800.0 477.2693 6500.0 481.2719 2300.0 482.7325 2200.0 484.2542 12000.0 486.3066 19000.0 487.2924 2400.0 491.2659 2700.0 492.2806 52000.0 496.9164 1900.0 498.2697 2300.0 500.2498 3100.0 500.283 2900.0 502.2648 140000.0 504.3182 4400.0 505.2803 6100.0 507.2596 39000.0 514.3011 110000.0 515.2642 17000.0 516.2795 3800.0 518.2598 20000.0 518.295 2400.0 519.2606 21000.0 520.2754 450000.0 523.2906 16000.0 526.3019 4800.0 530.2601 3300.0 530.2964 7100.0 531.2997 3000.0 531.6547 2300.0 532.3115 54000.0 533.2748 1900000.0 534.2753 6500.0 534.2939 24000.0 537.2686 6300.0 544.3092 4100.0 548.2694 27000.0 549.2693 35000.0 550.2722 21000.0 550.3005 15000.0 551.2849 220000.0 562.3204 8700.0 567.281 4800.0 570.3292 2400.0 571.3218 4400.0 578.3335 2800.0 586.3366 3100.0 586.5577 2000.0 587.3531 13000.0 588.338 13000.0 589.3331 3400.0 590.3344 2700.0 597.338 23000.0 597.5217 2000.0 602.3091 2000.0 604.3478 180000.0 605.3641 81000.0 606.3264 20000.0 613.3342 4400.0 614.3346 11000.0 615.3485 140000.0 616.3343 2100.0 618.3267 9900.0 622.3577 3800.0 631.3429 37000.0 632.3428 1200000.0 633.3591 990000.0 634.3218 6200.0 636.3398 3200.0 643.3442 2300.0 648.338 25000.0 649.3408 22000.0 649.3696 22000.0 650.3196 3700.0 650.353 69000.0 652.3322 100000.0 661.3535 4000.0 663.142 2000.0 675.3851 5300.0 677.3636 3700.0 677.851 2000.0 678.3474 6100.0 703.3795 240000.0 705.3583 10000.0 719.3743 5000.0 720.3766 7800.0 721.3902 80000.0 722.3624 2000.0 723.369 76000.0 723.4056 23000.0 733.3891 8900.0 750.4133 3900.0 751.4005 74000.0 753.9965 2000.0 760.4012 3000.0 760.4377 3400.0 776.4325 25000.0 777.4156 34000.0 780.4271 7100.0 786.4156 7100.0 794.4424 150000.0 796.7112 2300.0 802.412 4500.0 803.4131 5900.0 804.427 250000.0 820.4213 14000.0 821.4219 14000.0 821.4583 3400.0 822.4374 330000.0 831.8456 2400.0 END IONS BEGIN IONS SCANS=222 PEPMASS=821.455 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4400.0 120.081 2600.0 231.1127 1200.0 272.1599 2000.0 303.1699 27000.0 304.1732 1700.0 319.1648 1200.0 330.1806 2800.0 344.196 7100.0 348.1911 1200.0 355.197 4400.0 362.2068 1800.0 419.2284 6600.0 422.2429 2900.0 443.2645 2400.0 450.2381 30000.0 451.2419 3000.0 461.2752 1400.0 502.265 3100.0 507.2592 4700.0 514.3017 3400.0 519.2917 3000.0 523.2903 1800.0 532.3127 4500.0 533.2751 35000.0 534.2772 3500.0 549.2703 1600.0 551.2858 20000.0 552.2899 2400.0 597.3394 1400.0 604.3484 1100.0 606.3276 3100.0 615.3488 4000.0 632.3436 57000.0 632.3753 5900.0 633.3475 7100.0 650.3541 8700.0 703.3809 1400.0 721.3907 4000.0 732.3387 7600.0 760.4 2700.0 761.4034 1900.0 783.3373 1100.0 786.4162 1500.0 END IONS BEGIN IONS SCANS=223 PEPMASS=822.3858 CHARGE=1 COLLISION_ENERGY=0.0 62.7142 3800.0 72.0814 13000.0 86.0968 130000.0 87.1002 5400.0 100.0391 3400.0 104.0531 190000.0 120.0809 79000.0 131.6581 3400.0 148.8018 3500.0 171.1127 20000.0 173.0917 4200.0 175.6979 4000.0 176.2343 3300.0 177.9204 3200.0 179.4424 3700.0 179.649 3400.0 183.1131 5600.0 191.1021 4000.0 200.0376 3300.0 201.1233 11000.0 209.6976 3400.0 231.1125 44000.0 231.9622 3300.0 233.1641 4600.0 248.1387 4100.0 249.1232 14000.0 251.1208 14000.0 253.1105 3500.0 254.1495 12000.0 261.1595 8300.0 272.16 25000.0 279.1154 12000.0 290.17 8200.0 302.1856 11000.0 303.1701 240000.0 304.1731 20000.0 309.1912 15000.0 310.1755 4100.0 319.1649 64000.0 320.1682 49000.0 321.1262 410000.0 321.1697 4600.0 322.1296 19000.0 327.2026 10000.0 328.1857 4800.0 330.1803 76000.0 330.5555 3900.0 331.1826 8300.0 332.1598 11000.0 337.1866 8200.0 338.1704 14000.0 344.1963 140000.0 345.2 19000.0 345.2124 7000.0 347.2068 4900.0 355.197 42000.0 356.2001 4700.0 362.1524 130000.0 362.208 4300.0 363.1565 4900.0 367.2334 4000.0 373.2078 21000.0 380.1631 8100.0 383.1918 14000.0 385.1892 5400.0 401.2174 49000.0 402.2218 4400.0 403.1971 5500.0 415.2707 11000.0 419.2287 11000.0 421.2059 3900.0 422.2428 9600.0 431.2279 10000.0 433.2252 6800.0 440.1995 32000.0 443.2644 26000.0 443.8879 3800.0 444.2682 5300.0 450.2377 70000.0 451.241 5800.0 457.2433 6200.0 461.2208 28000.0 463.2 10000.0 466.2333 21000.0 467.2361 32000.0 468.1945 160000.0 468.2394 4900.0 469.1968 12000.0 474.2708 6300.0 479.2297 4700.0 484.2543 11000.0 492.2795 12000.0 502.265 89000.0 502.8981 3600.0 503.268 21000.0 507.2578 4800.0 514.3022 20000.0 515.3034 4100.0 520.2756 50000.0 521.2795 4800.0 525.2169 17000.0 532.2576 34000.0 532.3135 5800.0 533.2751 220000.0 534.2366 5300.0 534.2771 25000.0 544.257 6100.0 548.2729 5100.0 549.2699 27000.0 550.2734 74000.0 551.2312 400000.0 551.2742 21000.0 551.2834 19000.0 552.2341 42000.0 557.3088 3800.0 562.2687 3900.0 567.2792 4600.0 568.2838 10000.0 569.2418 59000.0 569.2853 5600.0 570.2437 6300.0 570.3264 3300.0 597.5389 3300.0 604.3478 21000.0 605.3107 4400.0 605.3639 13000.0 615.2947 9600.0 615.3487 24000.0 616.3514 7100.0 622.3044 27000.0 623.3085 5600.0 632.3432 140000.0 633.3053 95000.0 633.3603 130000.0 634.308 13000.0 634.3618 22000.0 648.3373 6900.0 649.3409 49000.0 650.2997 250000.0 650.3448 23000.0 651.1917 3600.0 651.3022 30000.0 652.2784 23000.0 652.3322 17000.0 660.2051 3700.0 668.3079 3900.0 703.3796 25000.0 721.3366 39000.0 721.3863 11000.0 723.315 5700.0 723.3693 8700.0 751.4005 12000.0 777.4189 4200.0 793.4336 4000.0 794.3892 8900.0 794.443 18000.0 795.4459 5700.0 804.3723 9600.0 804.4276 37000.0 805.429 6900.0 822.3841 8800.0 822.4376 33000.0 823.4422 6000.0 END IONS BEGIN IONS SCANS=224 PEPMASS=822.4064 CHARGE=1 COLLISION_ENERGY=0.0 190.0529 11000.0 275.1418 1500.0 303.1367 20000.0 330.1803 1900.0 344.1962 15000.0 345.1986 1000.0 373.2078 1700.0 415.2689 1300.0 422.2103 3300.0 443.265 2500.0 450.2049 13000.0 514.3005 1700.0 520.2751 3700.0 533.2421 16000.0 534.2452 1300.0 551.2527 2000.0 604.315 3700.0 605.3637 1400.0 615.3486 2100.0 632.3101 12000.0 633.3127 1500.0 633.3594 22000.0 634.3628 2300.0 652.3003 1800.0 703.3464 2200.0 723.335 1100.0 751.3665 1200.0 758.4077 2200.0 794.4094 2500.0 804.3948 3700.0 821.436 1200.0 822.4056 8200.0 823.4062 1400.0 END IONS BEGIN IONS SCANS=225 PEPMASS=822.4069 CHARGE=1 COLLISION_ENERGY=0.0 190.0529 11000.0 275.1418 1500.0 303.1367 20000.0 330.1803 1900.0 344.1962 15000.0 345.1986 1000.0 373.2078 1700.0 415.2689 1300.0 422.2103 3300.0 443.265 2500.0 450.2049 13000.0 514.3005 1700.0 520.2751 3700.0 533.2421 16000.0 534.2452 1300.0 551.2527 2000.0 604.315 3700.0 605.3637 1400.0 615.3486 2100.0 632.3101 12000.0 633.3127 1500.0 633.3594 22000.0 634.3628 2300.0 652.3003 1800.0 703.3464 2200.0 723.335 1100.0 751.3665 1200.0 758.4077 2200.0 794.4094 2500.0 804.3948 3700.0 821.436 1200.0 822.4056 8200.0 823.4062 1400.0 END IONS BEGIN IONS SCANS=226 PEPMASS=822.4069 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1900.0 231.0793 5700.0 261.1262 1900.0 303.1697 8700.0 330.1473 2300.0 344.1631 8500.0 358.2119 1200.0 443.231 2600.0 450.2047 8800.0 492.2479 1000.0 502.2323 1200.0 514.268 1000.0 520.2422 11000.0 533.2418 15000.0 534.2449 1500.0 551.2523 1900.0 569.329 1600.0 604.3144 1700.0 605.3309 1200.0 615.3173 1300.0 632.3099 13000.0 633.3267 26000.0 634.328 2600.0 703.3472 1300.0 723.3372 1300.0 751.3657 1100.0 758.4053 2800.0 794.409 3100.0 804.394 4100.0 822.4048 8600.0 823.4074 1500.0 END IONS BEGIN IONS SCANS=227 PEPMASS=822.4387 CHARGE=1 COLLISION_ENERGY=0.0 86.0953 1500.0 86.0968 12000.0 91.5082 2000.0 120.0809 6000.0 130.0498 1300.0 161.9371 1100.0 173.0919 18000.0 190.1983 1100.0 201.1235 1200.0 231.1128 1300.0 233.1649 1000.0 249.123 2600.0 261.159 1500.0 272.1598 17000.0 273.1635 1200.0 302.1862 2500.0 303.1696 58000.0 304.173 2400.0 318.1798 1200.0 330.1803 6600.0 334.2117 1500.0 344.1961 20000.0 345.1997 2300.0 348.1912 2100.0 355.1977 2000.0 362.2069 7600.0 373.2073 22000.0 374.2103 1700.0 401.2181 2800.0 415.2702 1800.0 419.2287 3600.0 422.2424 6600.0 432.2279 1200.0 433.281 1100.0 443.2639 6300.0 450.2377 57000.0 451.2417 5000.0 461.275 4200.0 502.2652 3300.0 505.2794 1500.0 507.2599 10000.0 508.2636 1900.0 514.3025 4200.0 515.2643 2000.0 520.2751 22000.0 521.2793 1600.0 523.2921 4100.0 532.3112 1600.0 533.2749 88000.0 534.2776 8900.0 551.2852 39000.0 552.288 3000.0 588.3164 1100.0 604.348 12000.0 605.352 1100.0 606.3276 2900.0 614.3328 1800.0 615.3491 3500.0 632.3429 81000.0 633.3589 15000.0 634.3629 2100.0 650.3542 7200.0 651.3622 1100.0 703.3804 11000.0 721.389 1700.0 778.4135 1800.0 804.4273 4600.0 822.4377 46000.0 823.4417 7300.0 END IONS BEGIN IONS SCANS=228 PEPMASS=822.4387 CHARGE=1 COLLISION_ENERGY=0.0 57.8118 5100.0 58.1969 5600.0 61.1718 6100.0 61.5747 5200.0 63.7413 6100.0 72.0812 11000.0 73.1578 5600.0 81.6518 5700.0 84.1196 6400.0 85.7792 5600.0 86.0968 340000.0 87.1 5300.0 89.9501 5500.0 91.5063 12000.0 93.0165 5600.0 95.4506 5900.0 96.4732 5600.0 102.0648 5400.0 104.0052 6000.0 104.3668 6300.0 105.8002 6100.0 120.081 92000.0 150.4808 6600.0 171.1128 39000.0 173.0921 22000.0 174.3969 6300.0 175.4858 6400.0 183.1125 14000.0 186.9531 7200.0 191.1026 8800.0 201.1236 8200.0 217.2448 6600.0 231.1125 61000.0 232.1164 5600.0 233.1648 22000.0 238.3033 6200.0 245.149 7200.0 246.1441 9700.0 249.1224 5200.0 261.1591 26000.0 261.9436 6600.0 272.1599 57000.0 273.164 5600.0 275.1747 17000.0 277.5875 6200.0 290.1707 45000.0 302.1854 23000.0 303.1699 850000.0 304.173 75000.0 309.1911 9100.0 309.5229 6600.0 319.165 26000.0 320.1682 14000.0 327.2019 11000.0 327.7131 6500.0 328.186 8600.0 330.1804 110000.0 331.185 12000.0 331.9208 7300.0 337.1856 7300.0 341.8381 6300.0 344.1963 470000.0 345.1996 46000.0 345.213 22000.0 355.1971 39000.0 362.2065 18000.0 373.2076 66000.0 375.7608 6400.0 401.2025 26000.0 401.2177 42000.0 402.2214 8900.0 407.6053 6600.0 410.0314 7300.0 415.2698 38000.0 416.0185 6500.0 419.2274 18000.0 421.2067 7500.0 422.243 48000.0 443.265 77000.0 444.2678 19000.0 450.238 290000.0 451.2405 37000.0 458.275 9900.0 467.2366 12000.0 486.3058 8800.0 491.2659 6800.0 492.28 24000.0 502.2656 83000.0 507.2593 18000.0 514.3024 58000.0 515.3055 7900.0 520.2757 220000.0 521.2791 18000.0 523.291 9900.0 532.312 14000.0 533.275 780000.0 534.0426 6400.0 534.2773 120000.0 534.4712 7400.0 535.2821 8100.0 548.2692 12000.0 549.2712 14000.0 550.2728 29000.0 551.2858 79000.0 552.2885 20000.0 567.2665 6900.0 598.3428 6800.0 604.3479 79000.0 605.3671 32000.0 606.3265 9100.0 615.3493 85000.0 616.3527 23000.0 632.3434 460000.0 633.361 440000.0 634.3632 63000.0 649.3395 14000.0 650.3538 36000.0 652.3323 40000.0 703.3807 86000.0 704.382 16000.0 718.7834 7000.0 721.3901 36000.0 722.3917 9600.0 723.3679 29000.0 723.4045 12000.0 737.8151 8600.0 751.4014 31000.0 777.4169 17000.0 794.443 60000.0 795.4448 17000.0 804.4282 110000.0 805.4298 17000.0 822.4382 120000.0 823.4398 28000.0 848.0525 8000.0 END IONS BEGIN IONS SCANS=229 PEPMASS=822.4369 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 8200.0 120.0809 3100.0 171.1125 1200.0 173.0919 2600.0 184.0732 6300.0 231.1118 1000.0 272.16 6200.0 302.1859 1500.0 303.1699 30000.0 304.1726 2000.0 330.1801 4100.0 344.1961 15000.0 345.1998 1300.0 355.1969 5900.0 373.2072 5000.0 401.2176 3600.0 415.27 2700.0 422.2426 1500.0 443.2646 4300.0 450.2377 11000.0 451.241 1700.0 458.2756 2300.0 502.265 15000.0 503.2677 1500.0 514.3019 2900.0 519.4034 2100.0 520.2756 9500.0 533.2749 35000.0 534.2781 4500.0 551.2841 2100.0 562.5538 2000.0 604.3481 9000.0 615.3487 18000.0 616.3517 3800.0 632.343 31000.0 633.3609 23000.0 634.3645 2500.0 650.3519 1300.0 652.3317 1400.0 703.3792 6700.0 705.3583 1300.0 763.4199 2200.0 764.4221 1200.0 776.4323 5000.0 786.4161 1100.0 804.4275 39000.0 804.5581 1100.0 805.4305 6700.0 821.5561 1600.0 821.5919 2200.0 822.4367 8400.0 822.5673 4700.0 822.6046 1400.0 822.6426 1500.0 823.441 1700.0 823.6024 1300.0 END IONS BEGIN IONS SCANS=230 PEPMASS=823.4013 CHARGE=2 COLLISION_ENERGY=0.0 118.3903 1500.0 120.0807 10000.0 121.0835 1400.0 124.9043 1400.0 125.873 1600.0 132.7754 1400.0 137.2314 1500.0 142.9836 1600.0 157.421 1600.0 157.7522 1700.0 165.8106 1600.0 169.9526 1700.0 173.0922 1700.0 183.3874 1600.0 189.6617 1800.0 202.275 1900.0 207.2968 2500.0 214.7732 2000.0 215.5206 1800.0 231.1126 3700.0 231.9513 1800.0 232.0612 2000.0 232.1159 2700.0 233.1645 2300.0 244.3112 2000.0 257.1302 2000.0 265.681 1800.0 272.1599 3500.0 300.1491 2000.0 303.1698 80000.0 304.1735 55000.0 305.1763 15000.0 312.0119 2200.0 321.6521 12000.0 322.1537 2900.0 324.6772 2100.0 330.1802 16000.0 331.1842 9100.0 331.9038 2300.0 335.1571 11000.0 335.6578 5200.0 338.1709 4700.0 340.1754 2600.0 344.1963 30000.0 344.6554 2500.0 345.2001 27000.0 346.2033 5100.0 353.4588 2500.0 355.1973 13000.0 356.2003 7000.0 357.1698 59000.0 357.2013 3900.0 357.6721 19000.0 358.1733 3800.0 371.1673 7100.0 371.6686 4300.0 373.2082 3700.0 374.2103 2400.0 380.1726 3400.0 381.6507 2400.0 383.1911 3000.0 388.6561 2600.0 393.6288 2400.0 401.2183 9400.0 402.2211 6600.0 404.164 2500.0 413.2173 2600.0 415.2693 2400.0 421.6914 1500000.0 422.1928 760000.0 422.2221 2000.0 422.2419 6600.0 422.6943 140000.0 423.196 10000.0 423.2471 3700.0 424.2498 4400.0 432.2324 2800.0 435.7474 2100.0 443.2646 5400.0 444.2683 9900.0 445.2709 3600.0 450.2383 53000.0 451.2418 55000.0 452.2447 39000.0 453.2491 3100.0 461.5875 2300.0 462.2789 3800.0 478.3506 2100.0 485.2584 2400.0 486.3259 2400.0 502.2657 51000.0 503.2689 54000.0 504.2714 40000.0 505.2717 3600.0 507.2598 2600.0 514.3016 7900.0 515.3055 7900.0 516.3081 6300.0 520.2761 7100.0 521.28 9100.0 522.0165 2700.0 523.2553 2400.0 533.2757 60000.0 534.2789 97000.0 535.2819 60000.0 536.2844 5400.0 551.2849 15000.0 551.3048 2700.0 552.2367 2700.0 552.2897 20000.0 553.2916 15000.0 577.3988 2700.0 599.3465 4400.0 604.3505 5400.0 605.3529 6400.0 607.3315 4500.0 608.3324 3200.0 615.3494 62000.0 616.353 94000.0 617.3559 100000.0 618.227 3200.0 618.3575 16000.0 632.3438 76000.0 633.3467 140000.0 634.3486 160000.0 635.3259 6100.0 635.3536 21000.0 636.3298 9100.0 650.3544 6700.0 651.3575 17000.0 652.3599 20000.0 660.9374 2900.0 703.3801 16000.0 704.3842 17000.0 705.3869 16000.0 713.331 2900.0 722.3956 4200.0 724.3734 2600.0 735.3992 8500.0 772.8774 3800.0 773.3817 9300.0 777.4349 4300.0 778.4399 7800.0 787.4191 2900.0 788.4232 8300.0 795.446 6900.0 798.3491 5900.0 798.3866 8700.0 799.3535 3500.0 799.3888 5600.0 804.4284 17000.0 805.4323 28000.0 806.4344 54000.0 807.4362 15000.0 823.403 300000.0 823.4424 22000.0 823.605 2900.0 823.9042 380000.0 824.4055 190000.0 824.441 3800.0 824.5832 3400.0 824.9068 26000.0 842.3757 230000.0 843.379 130000.0 844.3818 25000.0 1214.7986 3100.0 1375.9891 3500.0 1543.0762 3300.0 1574.8777 3800.0 1583.3353 3500.0 1680.6454 3700.0 END IONS BEGIN IONS SCANS=231 PEPMASS=826.3768 CHARGE=1 COLLISION_ENERGY=0.0 679.2911 1100.0 762.3782 62000.0 763.3813 8100.0 826.3764 110000.0 827.3795 18000.0 END IONS BEGIN IONS SCANS=232 PEPMASS=826.4338 CHARGE=1 COLLISION_ENERGY=0.0 60.3595 1000.0 67.4032 1100.0 72.0813 2300.0 79.2077 1000.0 84.8919 1100.0 86.0947 2000.0 86.0967 26000.0 91.5083 2000.0 93.1279 1000.0 95.7792 1100.0 95.8443 1200.0 104.3404 1000.0 114.5514 1000.0 120.0808 14000.0 120.1884 1000.0 122.8717 1100.0 142.681 1100.0 159.0763 2100.0 162.0903 1500.0 173.1287 2900.0 177.0864 2400.0 195.6445 1000.0 201.1233 11000.0 203.1897 1100.0 221.1279 2500.0 221.323 1000.0 231.1123 5000.0 233.1643 2300.0 249.1229 5700.0 253.0258 1000.0 258.1442 10000.0 261.1588 4300.0 264.9202 1100.0 275.1743 2000.0 276.1554 2800.0 277.3633 1200.0 303.1698 150000.0 304.1646 1300.0 304.1729 7300.0 316.1649 1300.0 318.1806 1700.0 320.1952 2600.0 330.1804 17000.0 330.8254 1100.0 342.446 1100.0 344.196 55000.0 345.1993 3900.0 346.2654 1300.0 348.1909 4500.0 353.2195 1100.0 355.8456 1000.0 359.1916 15000.0 362.2066 14000.0 373.147 1100.0 377.2024 25000.0 377.2157 2400.0 378.2042 1100.0 387.2025 1100.0 389.254 1400.0 397.057 1000.0 405.2122 7200.0 415.2699 3200.0 417.2488 1700.0 419.2277 2100.0 419.2641 1400.0 422.2427 14000.0 429.249 3900.0 433.2798 4400.0 439.8725 1200.0 443.2644 16000.0 444.2678 1900.0 447.2612 1400.0 449.8817 1300.0 450.2379 140000.0 451.2413 11000.0 461.2744 9000.0 461.2975 1200.0 463.0925 1000.0 490.3012 1600.0 500.2864 2600.0 505.2797 3800.0 506.2598 9900.0 507.2592 28000.0 508.2637 1600.0 518.2961 5000.0 519.2592 23000.0 520.2642 1800.0 523.2905 7100.0 524.2708 26000.0 525.274 1400.0 533.2747 200000.0 534.2776 20000.0 537.2698 11000.0 538.2733 1900.0 538.3443 1100.0 551.2853 68000.0 552.2894 7800.0 602.622 1300.0 604.3467 5300.0 606.326 5500.0 618.3271 16000.0 619.3452 12000.0 620.3461 1100.0 632.343 160000.0 633.3467 21000.0 636.3383 1700.0 637.3541 47000.0 638.3585 4600.0 650.3542 7500.0 695.3448 1200.0 707.3746 4300.0 744.7556 1200.0 762.3782 31000.0 762.6474 1400.0 763.3799 4900.0 790.4103 3400.0 808.4227 17000.0 809.427 2100.0 826.3763 45000.0 827.3798 5400.0 END IONS BEGIN IONS SCANS=233 PEPMASS=826.4335 CHARGE=1 COLLISION_ENERGY=0.0 60.3595 1000.0 67.4032 1100.0 72.0813 2300.0 79.2077 1000.0 84.8919 1100.0 86.0947 2000.0 86.0967 26000.0 91.5083 2000.0 93.1279 1000.0 95.7792 1100.0 95.8443 1200.0 104.3404 1000.0 114.5514 1000.0 120.0808 14000.0 120.1884 1000.0 122.8717 1100.0 142.681 1100.0 159.0763 2100.0 162.0903 1500.0 173.1287 2900.0 177.0864 2400.0 195.6445 1000.0 201.1233 11000.0 203.1897 1100.0 221.1279 2500.0 221.323 1000.0 231.1123 5000.0 233.1643 2300.0 249.1229 5700.0 253.0258 1000.0 258.1442 10000.0 261.1588 4300.0 264.9202 1100.0 275.1743 2000.0 276.1554 2800.0 277.3633 1200.0 303.1698 150000.0 304.1646 1300.0 304.1729 7300.0 316.1649 1300.0 318.1806 1700.0 320.1952 2600.0 330.1804 17000.0 330.8254 1100.0 342.446 1100.0 344.196 55000.0 345.1993 3900.0 346.2654 1300.0 348.1909 4500.0 353.2195 1100.0 355.8456 1000.0 359.1916 15000.0 362.2066 14000.0 373.147 1100.0 377.2024 25000.0 377.2157 2400.0 378.2042 1100.0 387.2025 1100.0 389.254 1400.0 397.057 1000.0 405.2122 7200.0 415.2699 3200.0 417.2488 1700.0 419.2277 2100.0 419.2641 1400.0 422.2427 14000.0 429.249 3900.0 433.2798 4400.0 439.8725 1200.0 443.2644 16000.0 444.2678 1900.0 447.2612 1400.0 449.8817 1300.0 450.2379 140000.0 451.2413 11000.0 461.2744 9000.0 461.2975 1200.0 463.0925 1000.0 490.3012 1600.0 500.2864 2600.0 505.2797 3800.0 506.2598 9900.0 507.2592 28000.0 508.2637 1600.0 518.2961 5000.0 519.2592 23000.0 520.2642 1800.0 523.2905 7100.0 524.2708 26000.0 525.274 1400.0 533.2747 200000.0 534.2776 20000.0 537.2698 11000.0 538.2733 1900.0 538.3443 1100.0 551.2853 68000.0 552.2894 7800.0 602.622 1300.0 604.3467 5300.0 606.326 5500.0 618.3271 16000.0 619.3452 12000.0 620.3461 1100.0 632.343 160000.0 633.3467 21000.0 636.3383 1700.0 637.3541 47000.0 638.3585 4600.0 650.3542 7500.0 695.3448 1200.0 707.3746 4300.0 744.7556 1200.0 762.3782 31000.0 762.6474 1400.0 763.3799 4900.0 790.4103 3400.0 808.4227 17000.0 809.427 2100.0 826.3763 45000.0 827.3798 5400.0 END IONS BEGIN IONS SCANS=234 PEPMASS=829.4182 CHARGE=1 COLLISION_ENERGY=0.0 184.0731 2400.0 207.2271 1100.0 421.6917 3600.0 428.6803 2000.0 428.6991 4400.0 699.3726 2100.0 727.3685 1600.0 828.4156 470000.0 829.4185 190000.0 830.4207 8900.0 END IONS BEGIN IONS SCANS=235 PEPMASS=831.3869 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 5300.0 161.9501 1100.0 165.2156 1100.0 171.1128 1200.0 184.0733 1700.0 197.4915 1100.0 201.1237 2000.0 221.0842 1000.0 231.1127 4700.0 233.1645 2100.0 239.095 2700.0 254.1494 2400.0 261.1591 1300.0 270.3564 1200.0 286.4807 1200.0 299.0613 5300.0 302.1862 2600.0 303.17 70000.0 304.1729 12000.0 309.1911 1700.0 310.1752 1900.0 316.6298 1100.0 320.6313 1300.0 329.1394 2200.0 329.6373 29000.0 330.1393 7600.0 330.1806 13000.0 331.1845 2000.0 335.6676 1100.0 337.1869 1900.0 338.1711 2900.0 339.1744 1400.0 343.1426 3500.0 343.6351 3100.0 344.1963 24000.0 344.6347 1600.0 345.1992 4000.0 348.1237 1200.0 355.0699 19000.0 355.197 13000.0 356.2007 1800.0 358.6501 1200.0 362.2065 1500.0 364.6581 3600.0 365.1269 3000.0 365.1444 2800.0 365.1562 45000.0 365.6576 17000.0 366.1581 6300.0 367.2335 2500.0 373.0797 1500.0 374.1165 1300.0 374.1614 2000.0 374.6602 1300.0 379.1535 20000.0 379.6548 8800.0 380.155 4000.0 383.1921 2400.0 384.195 1200.0 393.6531 1400.0 401.2177 8800.0 402.2216 2500.0 403.8287 1200.0 407.6468 2100.0 407.6637 1200.0 415.2333 1200.0 415.2692 2900.0 420.672 11000.0 421.1736 1900.0 421.6909 3700.0 422.2437 6100.0 428.68 8400.0 429.0886 4100.0 429.1796 52000.0 429.6779 500000.0 430.1793 250000.0 430.6795 88000.0 431.1804 11000.0 431.2284 2300.0 433.2796 1100.0 441.2404 1200.0 443.2654 8200.0 444.2682 1600.0 445.228 1500.0 445.2439 2000.0 450.2383 42000.0 451.2419 14000.0 467.7506 1500.0 474.2722 2200.0 476.162 1600.0 484.2549 2700.0 502.2655 50000.0 503.1079 1800.0 503.2694 14000.0 504.1586 2000.0 507.2589 2100.0 514.3022 15000.0 515.306 2500.0 516.2811 1800.0 533.2756 75000.0 534.2787 21000.0 535.2827 3200.0 550.2996 1400.0 551.2859 17000.0 552.29 4000.0 561.2151 7600.0 561.2722 1500.0 562.2188 1800.0 563.2158 1500.0 587.1954 1600.0 587.3552 2700.0 597.338 3800.0 598.3428 1700.0 604.2209 2500.0 604.3491 8000.0 605.3527 2100.0 606.3295 2100.0 610.1949 2200.0 611.1995 1500.0 615.3497 84000.0 616.3533 29000.0 616.741 1300.0 617.3563 6100.0 624.2345 1500.0 632.3438 100000.0 633.3472 43000.0 634.3231 9800.0 634.3494 6300.0 635.3269 2200.0 650.3533 10000.0 651.3577 2600.0 657.272 1700.0 658.2683 23000.0 659.2712 9100.0 660.2472 3400.0 660.275 2000.0 660.338 1600.0 686.2632 29000.0 687.2662 12000.0 688.2637 5100.0 703.2892 4000.0 703.3817 21000.0 704.3846 9500.0 705.3601 2400.0 706.3651 2100.0 730.3105 1800.0 731.3164 2000.0 732.3257 1600.0 733.3911 3200.0 757.3011 5600.0 758.3037 3300.0 759.3 8100.0 766.2867 2500.0 767.2878 1800.0 776.4339 3900.0 786.4168 7100.0 787.42 2900.0 796.3474 8700.0 797.3497 3500.0 804.4282 26000.0 805.433 13000.0 806.434 1900.0 813.3152 3700.0 813.3564 2400.0 814.2827 5200.0 814.3216 17000.0 814.3583 74000.0 815.2876 4300.0 815.3243 11000.0 815.3615 45000.0 816.291 2000.0 816.3245 3000.0 816.3597 24000.0 817.3635 2400.0 830.4193 1900.0 830.8899 3800.0 831.3895 41000.0 831.4252 13000.0 831.6091 11000.0 831.8906 45000.0 832.3895 19000.0 832.5697 2000.0 832.6132 3700.0 832.8949 5100.0 839.3375 2100.0 840.3377 12000.0 841.3414 4800.0 845.3052 1600.0 856.3508 2200.0 857.3483 29000.0 858.348 310000.0 859.3511 170000.0 860.3508 67000.0 861.3533 6600.0 900.0161 1600.0 1248.2319 1600.0 1393.0094 1700.0 END IONS BEGIN IONS SCANS=236 PEPMASS=832.4605 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 104.1072 1400.0 117.0912 1500.0 120.0808 4300.0 184.0732 7600.0 218.1172 3900.0 231.1126 1800.0 233.1647 1100.0 239.0947 4200.0 261.1588 2700.0 299.0613 6000.0 330.1804 6000.0 331.201 42000.0 332.2047 2100.0 338.1711 1500.0 344.1962 28000.0 345.1992 1800.0 345.2172 1100.0 355.0692 18000.0 355.1971 3600.0 356.0695 2400.0 359.0271 1800.0 362.2074 1700.0 367.2339 1500.0 373.0801 1100.0 401.2176 3900.0 415.0356 3000.0 415.2336 1400.0 415.2696 1500.0 429.088 2000.0 431.2276 1600.0 443.2644 5800.0 445.2434 1500.0 450.2745 3100.0 478.2694 17000.0 479.2721 1700.0 484.2552 1400.0 486.3055 1100.0 502.2652 11000.0 503.1069 1300.0 503.2676 1100.0 514.3014 8000.0 515.3052 1000.0 526.3021 1400.0 535.2897 1200.0 561.306 31000.0 562.3096 4100.0 579.3165 4200.0 587.3533 1700.0 597.3387 2200.0 601.332 1100.0 615.3489 26000.0 616.3525 2900.0 632.3785 1900.0 660.3747 23000.0 661.3779 3300.0 662.3544 2400.0 731.412 2800.0 831.6078 10000.0 832.5724 3300.0 832.6106 7400.0 833.6232 10000.0 END IONS BEGIN IONS SCANS=237 PEPMASS=834.4374 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1800.0 86.0968 36000.0 120.0808 13000.0 167.0551 1100.0 184.0733 2700.0 201.1231 1500.0 231.1128 5100.0 233.1647 2900.0 239.0943 3100.0 258.1443 2900.0 261.1592 4900.0 295.1761 1100.0 296.1594 1400.0 299.0609 3800.0 300.0611 1900.0 301.0578 1000.0 303.1697 99000.0 304.1731 1900.0 313.1872 1400.0 317.1852 46000.0 318.1887 2400.0 323.1703 1400.0 324.1549 2000.0 328.1674 1000.0 330.1803 19000.0 332.1601 1700.0 341.1809 7300.0 344.1962 56000.0 345.1989 2400.0 353.1815 2200.0 354.165 1600.0 355.0693 8100.0 356.0693 3900.0 357.066 3300.0 359.0276 1300.0 360.1909 1200.0 362.2062 2900.0 369.1765 3300.0 371.1916 2300.0 387.2015 4900.0 399.202 1700.0 415.1844 1000.0 415.2693 3600.0 417.2125 3500.0 422.243 7100.0 422.6692 1100.0 423.1703 1000.0 431.2288 1400.0 433.2806 1000.0 434.2094 1500.0 436.2577 2400.0 443.2641 17000.0 445.2438 2500.0 450.2377 51000.0 451.2406 1100.0 460.255 2600.0 461.2746 2100.0 464.2534 14000.0 470.2391 4900.0 486.2369 1700.0 488.2494 81000.0 489.2537 1300.0 500.2498 2700.0 500.2859 7900.0 502.2646 1900.0 507.2591 2700.0 517.2466 2700.0 518.2607 10000.0 530.2961 3600.0 532.2743 2100.0 533.2747 87000.0 534.2786 3700.0 547.2903 35000.0 548.2934 3200.0 551.2854 15000.0 565.2991 3400.0 573.3387 5000.0 583.3225 6900.0 599.3215 2800.0 600.3249 2100.0 601.3332 230000.0 602.3359 5100.0 603.3471 1800.0 604.3486 2500.0 606.3274 2500.0 613.333 2100.0 616.3151 5600.0 617.3186 2700.0 618.3628 1300.0 631.3437 25000.0 632.343 94000.0 633.3464 2900.0 634.322 4000.0 645.3582 3000.0 646.3585 21000.0 647.36 2900.0 648.3381 1200.0 650.3535 6300.0 657.336 1300.0 689.3644 10000.0 691.3434 1100.0 715.3784 1600.0 733.39 3700.0 734.3931 1100.0 762.4163 5400.0 772.4007 8200.0 790.3501 1700.0 790.4115 16000.0 806.4442 1300.0 833.6226 3700.0 834.3747 1100.0 834.439 1600.0 834.627 2900.0 END IONS BEGIN IONS SCANS=238 PEPMASS=834.439 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 3000.0 86.0968 69000.0 106.458 1200.0 120.0809 18000.0 171.1126 4800.0 173.1279 2100.0 183.1124 1700.0 184.0731 3100.0 192.1015 2500.0 201.1234 4800.0 220.0967 9200.0 221.1279 1200.0 231.1124 9400.0 233.1648 1700.0 239.0945 2000.0 249.1232 2900.0 254.1496 3100.0 261.1588 3500.0 267.1332 3100.0 272.1598 2500.0 282.1442 1200.0 299.0617 3300.0 300.0616 1400.0 301.0577 1400.0 302.1859 2700.0 303.1696 4900.0 305.1853 6000.0 309.1916 3100.0 310.1751 3300.0 317.1855 2000.0 327.2018 3300.0 330.1805 29000.0 332.1595 4600.0 333.1804 260000.0 334.1838 11000.0 337.1861 4100.0 338.1702 5600.0 344.1963 48000.0 345.2 3000.0 355.069 6900.0 355.1967 17000.0 356.0685 3600.0 357.0661 3500.0 359.0278 1100.0 362.2069 1900.0 367.2331 1300.0 373.2227 2400.0 383.192 4500.0 401.2174 16000.0 403.1964 1600.0 413.2175 2300.0 415.2338 1100.0 415.27 1700.0 416.2166 1500.0 429.0881 1100.0 431.228 6300.0 443.2645 8400.0 445.2442 2800.0 450.2389 1200.0 452.2533 6000.0 457.2434 1900.0 464.2538 1300.0 474.2706 4000.0 480.2485 90000.0 481.2519 7800.0 484.2545 6300.0 485.2566 1200.0 502.2651 46000.0 503.2682 5200.0 514.3011 13000.0 526.302 1300.0 533.2741 2200.0 535.2897 2400.0 537.2696 9400.0 538.2734 1200.0 544.3113 2000.0 545.2751 2300.0 553.3013 2400.0 563.2853 230000.0 564.2886 24000.0 581.2957 25000.0 582.2997 2600.0 587.3553 2000.0 597.3383 4200.0 601.3337 2500.0 615.3486 39000.0 616.3526 4800.0 632.3438 1600.0 634.3296 1000.0 634.3587 14000.0 635.3619 1700.0 636.3376 2300.0 662.3535 130000.0 663.3564 18000.0 664.3326 12000.0 665.3367 1200.0 680.3634 2600.0 733.3909 18000.0 734.3924 2300.0 735.3703 3500.0 763.4022 1300.0 789.4142 1600.0 790.4119 1100.0 798.3678 1400.0 806.4427 4200.0 816.4266 5500.0 833.6238 4900.0 834.4386 5000.0 834.5858 1000.0 834.6267 4000.0 835.4412 1000.0 END IONS BEGIN IONS SCANS=239 PEPMASS=835.4713 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1700.0 86.0967 31000.0 91.5084 1300.0 104.053 2700.0 120.0781 1700.0 120.0807 16000.0 171.1126 2900.0 173.0918 1300.0 184.073 4300.0 220.0964 1100.0 231.1128 1900.0 233.1641 2300.0 258.1438 1300.0 261.1587 3900.0 272.1599 2900.0 299.0607 1400.0 300.0606 1200.0 303.1697 110000.0 304.1725 5200.0 310.1752 1200.0 313.186 1200.0 316.1646 11000.0 318.1455 1200.0 321.1269 1300.0 324.1546 2800.0 330.1802 18000.0 331.184 1400.0 331.2008 6000.0 333.1801 22000.0 334.1842 5400.0 335.1421 3800.0 341.1812 12000.0 344.196 16000.0 345.1992 1500.0 348.1917 1700.0 353.2173 2200.0 355.0688 2900.0 355.1967 2800.0 356.0694 2700.0 357.0663 1600.0 362.1524 3100.0 369.1759 2300.0 369.2125 1100.0 387.2024 4000.0 401.2173 2500.0 401.2536 1400.0 415.2329 1600.0 417.2126 3100.0 422.2428 8400.0 429.2487 9900.0 431.2279 3300.0 433.68 1100.0 436.255 1400.0 440.7155 1500.0 443.2281 1100.0 443.2645 1800.0 450.2378 81000.0 451.2412 9700.0 457.2447 1200.0 460.2541 2200.0 470.239 2900.0 478.2692 1100.0 480.2485 7300.0 481.2533 3900.0 482.2091 1300.0 488.2492 60000.0 489.2524 3500.0 500.2854 11000.0 501.2906 1500.0 502.2644 7900.0 503.2672 2400.0 506.2585 1300.0 512.2863 1400.0 514.3015 1600.0 519.259 78000.0 520.2622 9000.0 523.1495 1000.0 530.2964 1200.0 533.275 11000.0 534.2759 1200.0 537.2692 16000.0 538.2738 1600.0 551.2301 2600.0 551.285 1300.0 556.3116 1000.0 561.3063 3900.0 563.2853 15000.0 564.2883 10000.0 565.2475 3900.0 573.3373 3900.0 581.2953 2300.0 583.3218 4100.0 590.3318 1800.0 596.2665 1000.0 601.3333 100000.0 602.3359 12000.0 615.3496 4600.0 616.3528 1800.0 618.3273 94000.0 619.3247 9500.0 619.3453 4600.0 620.3072 8500.0 620.3323 1300.0 621.3102 1100.0 632.342 9700.0 633.3038 3000.0 633.3469 1800.0 634.3201 1300.0 636.3378 7400.0 637.342 1500.0 646.3597 1300.0 647.3191 1600.0 662.3538 8800.0 663.3571 7800.0 664.3132 2300.0 689.3621 5300.0 690.3662 1900.0 691.3437 1400.0 717.3992 1100.0 719.3764 4400.0 733.3915 1500.0 762.4164 3300.0 772.4012 5800.0 790.412 15000.0 791.4113 2100.0 818.4393 1100.0 834.6264 3000.0 835.6347 2300.0 836.4521 1100.0 END IONS BEGIN IONS SCANS=240 PEPMASS=836.4539 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6700.0 91.508 1200.0 120.0806 4000.0 201.1233 1200.0 231.1122 1400.0 249.1231 1400.0 272.1595 1300.0 286.1755 2900.0 303.1697 22000.0 317.1854 14000.0 330.1801 2900.0 335.1594 3400.0 344.1962 17000.0 348.1908 1300.0 355.0696 1700.0 357.0665 1300.0 362.2074 5100.0 376.1855 1100.0 387.2228 1000.0 401.2174 1100.0 415.2332 1100.0 419.2277 3500.0 422.2429 2000.0 433.2433 3700.0 443.2643 2000.0 450.2378 21000.0 451.2426 2000.0 457.2791 1800.0 464.2536 13000.0 482.2281 1100.0 507.2593 4100.0 514.3013 2100.0 521.2755 1900.0 523.29 1700.0 528.3159 1700.0 532.312 2200.0 533.2749 33000.0 534.2742 2800.0 546.3269 2000.0 547.2903 17000.0 548.2935 2000.0 551.2855 16000.0 552.2885 1400.0 565.2654 2100.0 565.3005 8800.0 618.3636 1300.0 620.3429 1400.0 632.3436 5000.0 633.3613 3100.0 646.3588 41000.0 647.3368 1100.0 647.3628 5000.0 664.3328 1600.0 664.368 4100.0 717.3965 1900.0 735.4072 3000.0 END IONS BEGIN IONS SCANS=241 PEPMASS=836.4543 CHARGE=1 COLLISION_ENERGY=0.0 58.3016 55000.0 59.4565 55000.0 61.0309 56000.0 62.0119 49000.0 62.6023 49000.0 63.0449 55000.0 63.3151 48000.0 63.3809 55000.0 68.3771 69000.0 70.8431 55000.0 72.0813 61000.0 76.3391 63000.0 79.2813 67000.0 83.0352 69000.0 84.0418 57000.0 86.0968 3100000.0 87.7505 59000.0 95.2884 63000.0 98.5942 57000.0 99.0959 59000.0 108.1851 76000.0 112.0053 59000.0 120.0781 120000.0 120.0809 630000.0 130.1319 60000.0 134.3793 60000.0 148.9364 63000.0 171.1122 100000.0 173.0919 130000.0 185.1282 250000.0 186.3688 68000.0 191.1024 120000.0 197.1283 63000.0 199.3855 58000.0 204.1012 92000.0 231.1127 370000.0 233.1643 200000.0 254.1497 87000.0 261.1591 210000.0 272.1599 200000.0 286.1756 270000.0 289.1897 95000.0 290.1694 81000.0 302.1854 110000.0 303.1696 4600000.0 304.1729 190000.0 304.1864 270000.0 309.1916 110000.0 316.2011 140000.0 317.1853 3100000.0 318.1884 110000.0 330.1798 420000.0 344.196 5900000.0 345.1993 290000.0 345.2116 99000.0 355.1972 120000.0 359.2281 220000.0 362.2069 240000.0 369.2126 98000.0 373.2064 320000.0 387.2226 380000.0 401.2033 110000.0 401.2174 240000.0 415.2184 100000.0 415.2328 310000.0 415.2701 98000.0 419.2274 110000.0 421.2066 140000.0 422.2435 130000.0 429.2849 120000.0 433.2437 98000.0 436.2578 170000.0 443.2648 430000.0 449.725 81000.0 450.2378 1600000.0 451.2404 81000.0 457.28 490000.0 464.2531 940000.0 465.2576 90000.0 477.8483 69000.0 486.3098 72000.0 492.2809 100000.0 502.2646 300000.0 506.2966 210000.0 507.2597 180000.0 514.3008 280000.0 516.2808 390000.0 520.2754 900000.0 521.2746 67000.0 528.3154 300000.0 532.3118 79000.0 533.2746 4600000.0 534.2935 1100000.0 535.2944 100000.0 538.8418 61000.0 546.3273 130000.0 547.2902 2800000.0 548.2935 220000.0 550.3038 87000.0 551.2859 710000.0 552.6413 62000.0 565.3 400000.0 567.3803 59000.0 594.0224 67000.0 597.3384 90000.0 600.8232 66000.0 605.3643 240000.0 611.3557 83000.0 615.348 340000.0 618.3635 810000.0 619.3821 300000.0 629.3641 320000.0 633.3592 2500000.0 634.3621 330000.0 646.3583 4100000.0 647.2172 79000.0 647.3765 1900000.0 648.379 210000.0 648.4108 73000.0 652.3325 270000.0 663.3816 94000.0 664.3712 310000.0 666.3495 140000.0 717.3958 740000.0 718.3984 86000.0 723.3688 270000.0 735.406 310000.0 737.4203 83000.0 765.4156 360000.0 777.3033 71000.0 787.9688 76000.0 790.4448 94000.0 790.5486 80000.0 791.434 130000.0 808.4584 560000.0 818.4417 900000.0 819.4449 79000.0 836.4535 1200000.0 837.4553 210000.0 END IONS BEGIN IONS SCANS=242 PEPMASS=837.4196 CHARGE=2 COLLISION_ENERGY=0.0 120.0807 6400.0 126.5593 1100.0 135.2679 1000.0 144.0822 1100.0 151.6702 1000.0 153.7839 1000.0 158.7031 1200.0 161.6987 1100.0 173.8606 1100.0 176.1062 1200.0 201.9921 1100.0 206.1716 1200.0 210.5097 1200.0 231.1122 2800.0 242.6504 1300.0 262.646 1500.0 303.17 29000.0 304.1734 15000.0 305.1765 5200.0 305.2034 1300.0 317.1855 29000.0 318.1889 20000.0 319.1915 7800.0 328.639 1700.0 328.6589 7800.0 329.1611 2300.0 329.6374 2500.0 330.1804 7000.0 331.1841 3000.0 336.6458 3200.0 338.1702 2200.0 341.2189 1900.0 342.1649 12000.0 342.6667 4100.0 344.1964 23000.0 345.2002 16000.0 346.2027 7600.0 352.1859 2500.0 352.2075 1500.0 355.1971 5000.0 356.2002 2200.0 360.6441 1800.0 362.2065 2400.0 364.1779 43000.0 364.68 14000.0 365.1565 3000.0 365.1809 2600.0 369.1893 1600.0 369.2127 4800.0 372.1642 4900.0 378.1748 4000.0 379.153 2800.0 386.1617 3400.0 387.1809 3500.0 398.211 1800.0 401.2181 2800.0 407.9093 1800.0 415.2338 2400.0 416.2375 1500.0 422.244 2200.0 428.6993 1100000.0 429.2008 560000.0 429.2303 2400.0 429.6786 38000.0 429.702 120000.0 430.1788 5200.0 430.2032 5300.0 435.6877 6500.0 436.1867 12000.0 436.6854 57000.0 437.1864 13000.0 443.2652 4100.0 444.2676 3200.0 445.2442 2600.0 449.5788 1700.0 450.2386 19000.0 450.3375 2100.0 451.2419 19000.0 452.2451 11000.0 453.2477 2300.0 464.254 19000.0 465.2578 23000.0 466.261 17000.0 467.2603 2400.0 499.2743 2100.0 502.2659 27000.0 503.2689 28000.0 504.2722 18000.0 505.2744 2300.0 514.3017 6700.0 515.3058 5700.0 516.2819 17000.0 516.3082 4800.0 517.2843 17000.0 518.2872 15000.0 528.319 3100.0 529.3218 1700.0 533.2756 32000.0 534.2786 28000.0 535.2817 23000.0 536.2841 3600.0 547.2911 20000.0 548.2943 27000.0 549.2652 1800.0 549.2978 31000.0 550.2999 2700.0 551.2873 6500.0 552.2891 7100.0 553.2918 10000.0 565.3022 1800.0 566.3049 9100.0 567.3086 10000.0 598.3438 2600.0 599.3457 3900.0 604.3506 2200.0 615.3496 46000.0 616.3531 65000.0 617.3557 67000.0 618.361 10000.0 619.3687 1800.0 620.3707 2800.0 622.3499 3600.0 629.3653 20000.0 630.3686 32000.0 631.3713 45000.0 632.3443 10000.0 632.3719 3800.0 633.3461 3500.0 634.3242 3500.0 635.3272 2800.0 636.3287 5200.0 646.3595 54000.0 647.3629 95000.0 648.1835 1700.0 648.3657 150000.0 649.3423 2300.0 649.3682 24000.0 664.369 8500.0 665.3724 8400.0 666.3759 15000.0 686.2625 2400.0 701.3336 2900.0 703.3817 2600.0 703.5458 1800.0 707.366 1900.0 716.2001 1500.0 717.3964 11000.0 718.3996 11000.0 719.4035 16000.0 727.3491 3400.0 749.4138 5600.0 753.8649 1900.0 786.8972 2200.0 787.3934 2500.0 790.4434 2700.0 792.4554 4500.0 800.4337 4300.0 802.4398 7400.0 803.4446 2900.0 812.3654 7200.0 812.4044 5100.0 813.3654 4900.0 814.3226 3600.0 814.3585 7200.0 818.4437 16000.0 819.4476 13000.0 820.4504 56000.0 821.4539 10000.0 828.3733 9200.0 828.9141 1600.0 837.4186 220000.0 837.92 280000.0 838.4224 140000.0 838.5663 3900.0 838.9243 24000.0 856.3914 160000.0 856.9839 1600.0 857.3524 3700.0 857.3941 86000.0 858.3488 26000.0 858.3968 17000.0 859.3509 2600.0 870.368 2700.0 871.365 3200.0 872.3632 37000.0 873.3669 5800.0 1225.4711 2300.0 1241.9402 2000.0 1417.8419 2200.0 1537.2896 2500.0 1698.5582 2400.0 END IONS BEGIN IONS SCANS=243 PEPMASS=838.3801 CHARGE=1 COLLISION_ENERGY=0.0 231.1129 1300.0 245.1281 2700.0 273.1223 2400.0 295.1104 3100.0 314.1492 1000.0 330.1802 6200.0 337.1209 120000.0 338.1243 5700.0 355.1967 3200.0 378.1473 16000.0 383.192 1100.0 401.2173 3700.0 431.2285 1700.0 456.1942 6700.0 474.2694 1200.0 477.2157 2600.0 484.1891 24000.0 484.2543 2500.0 485.1923 1300.0 502.265 14000.0 503.2282 3800.0 503.2678 1100.0 539.2311 1000.0 541.2105 2300.0 548.252 2900.0 567.2259 82000.0 568.2291 8000.0 585.2359 9400.0 585.3017 4300.0 586.24 1400.0 602.2959 1700.0 621.3048 1000.0 638.2983 6100.0 649.2999 24000.0 650.3025 2300.0 666.2941 53000.0 667.298 7200.0 668.2736 7200.0 669.275 1100.0 673.3323 1300.0 684.3043 1900.0 737.3301 8200.0 738.3341 1400.0 739.3095 1500.0 756.3688 1400.0 767.3414 1200.0 774.3803 9700.0 775.3854 2100.0 810.3845 3900.0 820.366 1900.0 838.3777 6200.0 END IONS BEGIN IONS SCANS=244 PEPMASS=838.3795 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1500.0 84.0809 2000.0 86.0968 12000.0 120.0805 1600.0 136.0755 4000.0 162.0908 1700.0 171.1126 2300.0 190.0861 4700.0 231.1125 2300.0 245.1281 1500.0 247.1071 2300.0 254.1494 1100.0 272.1597 3100.0 273.1228 1100.0 277.1542 1700.0 290.1701 3700.0 295.1104 1800.0 301.1536 4600.0 303.1696 33000.0 304.1736 1500.0 318.18 1100.0 319.1651 3600.0 330.1804 9000.0 337.1208 48000.0 338.1233 2800.0 342.1801 3100.0 345.2134 1900.0 346.175 4300.0 355.1965 3500.0 360.1909 21000.0 373.2076 4800.0 378.1475 8700.0 401.2021 2400.0 401.2176 3000.0 417.2122 1700.0 431.2285 1200.0 431.2644 1500.0 435.2226 1100.0 438.2373 2400.0 441.2483 1000.0 448.2217 2800.0 456.1946 2800.0 459.2597 3300.0 466.2329 15000.0 467.2361 1000.0 477.2156 2100.0 484.1888 11000.0 484.2541 1300.0 485.1909 1000.0 502.2646 10000.0 503.2288 1300.0 518.2599 2300.0 520.2752 11000.0 521.2767 1100.0 530.2957 2300.0 531.2589 11000.0 536.2703 8300.0 541.21 1600.0 548.3065 1100.0 549.2695 32000.0 550.272 3900.0 557.2445 1100.0 567.2256 42000.0 567.2792 3300.0 568.2292 3800.0 585.2364 5200.0 585.3013 2800.0 602.2954 1100.0 602.3315 1200.0 603.348 1000.0 613.3328 1900.0 620.3429 2900.0 621.3572 1300.0 630.3265 7000.0 631.3436 17000.0 638.2994 3700.0 648.3378 22000.0 649.2998 17000.0 649.3545 27000.0 650.3022 1900.0 650.3561 2200.0 666.2944 25000.0 667.298 3600.0 668.2741 3300.0 668.3263 1500.0 701.3633 1600.0 719.3743 4400.0 737.3314 3600.0 737.3832 1200.0 739.3633 1700.0 767.3956 2100.0 774.3808 3900.0 792.4266 1900.0 802.4119 2100.0 810.3831 1100.0 810.4376 2600.0 820.4225 16000.0 821.4248 3100.0 838.3773 3100.0 838.4327 6700.0 839.4348 1300.0 END IONS BEGIN IONS SCANS=245 PEPMASS=838.4334 CHARGE=1 COLLISION_ENERGY=0.0 84.0811 1500.0 86.0968 2300.0 91.5081 1900.0 120.0806 3100.0 136.0755 1500.0 162.091 1900.0 171.1126 2300.0 190.0859 9300.0 231.1123 4500.0 245.1281 2800.0 267.1153 1700.0 272.1596 2500.0 273.1227 3000.0 277.1537 1500.0 290.1706 1800.0 295.1105 2500.0 301.154 6900.0 303.1692 8500.0 319.1646 3100.0 330.1807 15000.0 337.1209 96000.0 338.1245 4800.0 342.1797 4300.0 355.197 3500.0 360.1907 5200.0 373.2075 3000.0 378.1472 18000.0 379.1497 1200.0 401.2024 2200.0 401.2173 5700.0 413.218 1200.0 431.2282 1800.0 441.2486 1700.0 448.2218 4400.0 456.1941 4600.0 459.2593 1300.0 466.2327 7900.0 474.2709 1500.0 477.2157 4400.0 479.1947 1700.0 484.1891 24000.0 484.2543 2800.0 485.1936 2800.0 492.2803 1500.0 502.265 18000.0 503.2281 3000.0 503.2676 1100.0 520.2756 16000.0 521.2807 1100.0 531.2589 14000.0 536.2708 1800.0 539.2302 1100.0 541.2106 3100.0 548.252 2600.0 549.2697 12000.0 550.2731 1300.0 557.2423 1100.0 567.2259 88000.0 568.2292 9700.0 578.2645 1000.0 585.2361 8500.0 585.3016 7500.0 586.2405 1000.0 602.2955 1100.0 613.333 1800.0 630.3271 8800.0 631.3442 18000.0 632.3472 2000.0 638.2997 5100.0 648.3375 10000.0 649.2998 31000.0 649.3547 14000.0 650.302 3400.0 650.3576 1100.0 666.2942 53000.0 667.2975 7300.0 668.2725 5400.0 684.3049 1900.0 701.3643 1400.0 719.3734 1800.0 737.3315 6400.0 738.334 1200.0 739.3099 1500.0 774.3806 8400.0 775.382 1300.0 792.4279 2100.0 802.4114 2600.0 810.3839 2700.0 810.4376 1400.0 820.4223 18000.0 821.4239 3200.0 838.379 5200.0 838.4335 4200.0 END IONS BEGIN IONS SCANS=246 PEPMASS=838.4336 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 5700.0 91.5062 1500.0 136.0756 1100.0 247.1075 1200.0 272.1599 1600.0 290.1705 1100.0 303.17 19000.0 304.1733 1100.0 337.1208 12000.0 346.1755 2500.0 360.191 9700.0 373.2073 2000.0 378.1472 2400.0 459.2604 1700.0 466.2333 6100.0 484.1893 3500.0 502.265 1600.0 517.2465 1400.0 518.2592 1300.0 530.2958 1300.0 536.2706 4600.0 549.27 17000.0 550.2731 1700.0 567.2258 11000.0 567.2799 2400.0 585.2371 1300.0 616.314 1500.0 620.3435 1800.0 631.3442 1300.0 648.3378 13000.0 649.3015 3700.0 649.3554 11000.0 650.3568 1200.0 666.2949 6900.0 668.3279 1500.0 719.3748 2400.0 737.3859 1000.0 774.3807 1200.0 810.4373 1700.0 820.4231 2200.0 838.3867 1100.0 838.4326 3900.0 END IONS BEGIN IONS SCANS=247 PEPMASS=838.4339 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1500.0 91.5083 1000.0 287.1414 1100.0 303.1702 5500.0 330.1805 1200.0 337.1209 9300.0 344.196 2500.0 378.1474 2100.0 434.2103 1200.0 450.2381 3400.0 484.1895 2100.0 502.265 1200.0 517.2465 2000.0 533.2751 3600.0 549.2697 2100.0 551.2855 1000.0 567.2261 7700.0 616.3145 1600.0 632.3428 4500.0 648.3375 1300.0 649.3005 3200.0 649.3575 2000.0 666.2948 5000.0 820.424 4200.0 838.4334 2400.0 END IONS BEGIN IONS SCANS=248 PEPMASS=838.4335 CHARGE=1 COLLISION_ENERGY=0.0 58.3326 5300.0 61.3927 5500.0 63.0594 5900.0 65.8477 5400.0 69.7474 5500.0 69.9173 5700.0 72.0812 21000.0 75.8772 5200.0 82.8519 6700.0 84.9869 6900.0 86.0968 430000.0 86.9901 6000.0 87.719 7000.0 91.506 15000.0 96.1638 6400.0 96.2243 6200.0 99.3337 6500.0 99.5989 5700.0 102.6494 7100.0 102.8704 5900.0 103.9055 6600.0 110.8315 5600.0 112.637 5500.0 120.0808 100000.0 122.2373 6500.0 126.2937 6400.0 129.1516 6800.0 132.0079 7200.0 133.8755 7400.0 155.0589 5900.0 159.0493 7900.0 161.0632 7000.0 171.0759 11000.0 183.1125 8900.0 187.1075 38000.0 187.5544 6200.0 189.0867 9500.0 199.5163 7200.0 207.0975 20000.0 209.75 6500.0 227.2263 8100.0 231.1124 81000.0 233.1643 23000.0 246.7168 6300.0 249.1225 6400.0 261.1593 22000.0 262.1389 8800.0 270.1443 49000.0 275.1747 19000.0 277.1537 13000.0 285.1581 11000.0 288.1546 25000.0 302.1857 17000.0 302.2909 7700.0 303.1699 1200000.0 304.1731 41000.0 306.1649 39000.0 319.1642 7500.0 321.6931 8700.0 322.4228 6000.0 325.186 12000.0 327.4602 6400.0 330.1804 160000.0 331.4812 7700.0 339.3363 6700.0 343.1968 17000.0 344.1963 650000.0 345.1997 26000.0 353.1811 15000.0 358.1758 7300.0 361.2076 26000.0 362.2071 11000.0 371.192 43000.0 389.2024 70000.0 399.203 19000.0 415.2698 32000.0 417.197 26000.0 417.2123 58000.0 422.2431 59000.0 433.2796 7000.0 435.2242 8600.0 437.2025 12000.0 443.2647 130000.0 444.2669 13000.0 449.8571 7500.0 450.2379 290000.0 450.3268 8100.0 451.2414 25000.0 456.2624 6700.0 463.2538 9400.0 484.2925 7800.0 500.2488 31000.0 507.2598 19000.0 508.2758 31000.0 512.2867 11000.0 515.2477 11000.0 515.2662 11000.0 518.2605 59000.0 530.2959 67000.0 533.2748 1100000.0 534.278 110000.0 536.2705 270000.0 536.5038 6500.0 537.2741 24000.0 549.2698 40000.0 550.2866 24000.0 551.2855 74000.0 552.289 8900.0 564.2651 18000.0 567.2801 7300.0 586.3229 8000.0 604.3481 74000.0 606.3279 12000.0 613.3342 34000.0 614.3168 9200.0 621.3586 55000.0 631.3435 78000.0 632.343 540000.0 633.346 65000.0 648.3381 21000.0 649.3544 610000.0 650.3564 72000.0 652.3331 42000.0 701.3638 31000.0 713.7114 9300.0 719.3751 87000.0 720.3801 11000.0 737.3848 12000.0 739.3672 43000.0 740.3667 8000.0 751.4009 24000.0 759.0005 7000.0 792.4277 15000.0 793.4119 19000.0 802.4113 84000.0 803.4163 13000.0 810.4385 78000.0 820.4229 110000.0 821.4253 12000.0 838.4332 180000.0 839.4313 10000.0 839.4678 37000.0 840.0715 7600.0 END IONS BEGIN IONS SCANS=249 PEPMASS=838.4472 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 230.1136 1200.0 337.2235 1700.0 365.2176 5500.0 577.2965 1700.0 594.3232 27000.0 595.3269 2700.0 609.3387 9600.0 610.3427 1200.0 821.4206 1300.0 838.4444 30000.0 839.4476 5300.0 END IONS BEGIN IONS SCANS=250 PEPMASS=838.4467 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1400.0 230.1136 1200.0 337.2235 1700.0 365.2176 5500.0 577.2965 1700.0 594.3232 27000.0 595.3269 2700.0 609.3387 9600.0 610.3427 1200.0 821.4206 1300.0 838.4444 30000.0 839.4476 5300.0 END IONS BEGIN IONS SCANS=251 PEPMASS=839.4199 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1900.0 86.0947 1500.0 86.0969 35000.0 120.0808 10000.0 162.0913 1000.0 183.1126 1900.0 231.1124 5400.0 233.1645 3200.0 261.1592 3800.0 272.1595 1500.0 289.1386 9100.0 290.1709 1200.0 302.1856 1000.0 303.17 95000.0 304.1731 7700.0 326.1699 1500.0 330.1808 16000.0 331.1833 1400.0 337.1208 5100.0 338.1231 1200.0 344.1962 53000.0 345.1994 6400.0 355.1975 1200.0 358.1753 1500.0 362.2067 1400.0 373.2073 4500.0 400.1715 1200.0 401.2178 1300.0 415.2696 3400.0 419.2289 1300.0 422.2428 3400.0 443.2647 17000.0 444.2679 1800.0 450.2381 29000.0 451.2411 4900.0 462.223 1200.0 473.238 1100.0 491.2487 1500.0 502.2644 2600.0 514.3013 1800.0 515.2486 1400.0 519.2438 25000.0 520.2472 1800.0 520.2762 12000.0 521.2795 1600.0 532.3124 1200.0 533.275 96000.0 534.2783 16000.0 535.2802 3400.0 550.3005 1400.0 551.2314 1100.0 551.285 3400.0 567.2278 3300.0 568.2314 1900.0 586.3226 4000.0 604.3498 3500.0 605.3644 1300.0 614.3163 1900.0 615.348 3000.0 632.3282 100000.0 632.3455 25000.0 633.3311 9300.0 633.3588 25000.0 634.3652 4300.0 647.3622 1100.0 648.363 1700.0 649.3007 1100.0 649.3783 1000.0 650.2993 2400.0 650.3525 3500.0 651.3004 1100.0 666.294 2000.0 667.2985 1500.0 703.3797 3700.0 721.3901 2800.0 723.3685 1000.0 793.4119 5900.0 794.4465 2900.0 804.4293 7500.0 821.4059 6500.0 822.4392 15000.0 823.4429 3500.0 839.3813 1900.0 839.4655 2300.0 840.3871 4600.0 END IONS BEGIN IONS SCANS=252 PEPMASS=839.4661 CHARGE=1 COLLISION_ENERGY=0.0 59.82 2300.0 61.2817 2600.0 62.4628 2000.0 62.6674 2400.0 63.2432 2000.0 65.0512 2100.0 67.8701 2200.0 68.9597 2600.0 72.081 5200.0 74.0653 2500.0 83.5726 2400.0 84.3963 2400.0 86.0965 230000.0 86.0981 11000.0 86.0986 8700.0 86.7614 2300.0 87.0999 11000.0 100.0628 2900.0 104.053 3300.0 110.5584 2600.0 120.0653 4200.0 120.0808 54000.0 121.0838 4500.0 149.5844 2700.0 151.184 2800.0 155.1174 2700.0 172.1075 3700.0 173.1048 2400.0 173.2744 3000.0 183.1124 3400.0 187.1076 16000.0 189.0859 6000.0 190.0853 6000.0 190.118 5500.0 197.4437 2600.0 201.1231 4400.0 207.0977 12000.0 226.7985 2600.0 229.229 3000.0 231.1125 46000.0 232.1157 8900.0 233.1644 13000.0 246.6451 2700.0 249.1225 6100.0 252.9548 2800.0 261.1445 3000.0 261.1595 21000.0 262.139 5300.0 266.4967 3100.0 268.319 2800.0 270.1444 23000.0 271.148 6700.0 271.1755 8800.0 272.1596 5300.0 275.1746 10000.0 288.1544 8900.0 289.1578 2500.0 289.1863 7000.0 297.4742 2700.0 302.1853 9300.0 303.17 550000.0 304.1733 120000.0 305.1779 3300.0 306.1649 22000.0 309.8121 2900.0 319.1656 4900.0 320.1957 3200.0 321.1263 9700.0 325.1867 6000.0 330.1804 70000.0 331.1849 19000.0 335.1701 3200.0 343.1966 7900.0 344.1962 310000.0 345.1996 78000.0 346.2017 4200.0 348.1913 8000.0 353.1812 8600.0 361.2075 19000.0 362.1526 5900.0 362.2074 11000.0 366.2373 2700.0 371.192 21000.0 372.1945 3900.0 372.2238 3200.0 373.2078 6200.0 389.2022 32000.0 390.205 5300.0 390.2342 21000.0 399.202 7800.0 415.2688 19000.0 416.2725 4500.0 417.1972 8800.0 417.2125 23000.0 418.2157 8000.0 419.2283 8200.0 422.2429 26000.0 423.246 8300.0 431.229 5100.0 431.8474 3100.0 435.2242 3400.0 437.2019 5900.0 443.2643 46000.0 444.2687 17000.0 450.238 190000.0 451.241 63000.0 461.276 5900.0 494.2602 4300.0 496.8146 2600.0 500.2491 16000.0 501.2531 6100.0 507.259 23000.0 508.2758 8300.0 509.2795 4500.0 512.2853 4400.0 513.2891 4000.0 515.249 4200.0 515.2661 3800.0 516.2531 5200.0 518.2592 24000.0 519.2629 11000.0 519.291 12000.0 520.2772 3700.0 523.2902 7700.0 530.2971 19000.0 531.3004 9900.0 532.313 9300.0 533.2751 480000.0 534.2782 230000.0 535.2815 11000.0 536.2704 100000.0 537.274 45000.0 537.3029 6400.0 548.3069 4200.0 549.2712 9500.0 550.2687 3900.0 550.2869 10000.0 551.2318 8000.0 551.2857 83000.0 552.288 27000.0 564.2661 8300.0 565.2712 3000.0 568.2295 2600.0 585.338 3400.0 588.0326 2600.0 604.3488 25000.0 605.3517 16000.0 606.3301 7800.0 607.3455 4400.0 613.3347 13000.0 614.336 9500.0 621.3596 21000.0 622.3628 12000.0 631.3443 25000.0 632.3433 320000.0 632.3749 13000.0 633.346 140000.0 634.3498 11000.0 635.5912 2800.0 647.8188 2500.0 648.338 4200.0 649.3544 200000.0 650.301 8200.0 650.3575 150000.0 650.387 14000.0 651.3172 7000.0 651.3586 14000.0 651.3918 4000.0 652.3337 9500.0 653.3351 7600.0 654.4945 2500.0 687.7115 2800.0 688.1019 2800.0 697.1996 2500.0 701.3641 6800.0 702.3679 5600.0 703.3772 3300.0 719.374 25000.0 720.3777 26000.0 721.3572 4300.0 721.3914 14000.0 734.4025 3000.0 737.3841 3000.0 739.3649 20000.0 740.3686 15000.0 741.374 4000.0 742.9942 2700.0 751.4013 5900.0 778.4139 2900.0 802.4113 20000.0 803.4152 29000.0 810.4372 20000.0 811.4426 18000.0 820.4223 25000.0 821.4186 16000.0 821.4579 38000.0 822.4586 8100.0 832.9042 3400.0 838.4333 44000.0 839.4675 170000.0 840.3912 5200.0 840.4696 37000.0 END IONS BEGIN IONS SCANS=253 PEPMASS=839.4661 CHARGE=1 COLLISION_ENERGY=0.0 59.3125 3400.0 60.399 3000.0 61.9837 3300.0 63.3839 2800.0 69.4765 2800.0 70.3175 2900.0 72.0813 2800.0 77.1867 2700.0 78.5343 3100.0 79.0379 3000.0 79.6062 2700.0 82.6078 3300.0 85.1675 3200.0 86.0953 5900.0 86.0969 35000.0 87.1004 3200.0 92.1494 2900.0 94.7169 2900.0 100.674 3600.0 104.0534 5000.0 108.6438 3200.0 116.51 3100.0 118.1174 2900.0 120.0806 17000.0 155.754 3400.0 157.8331 3600.0 171.1126 3100.0 172.1079 4600.0 186.7781 3200.0 188.866 2900.0 190.1185 13000.0 204.0886 3900.0 231.1129 12000.0 249.1237 4700.0 271.176 5900.0 272.1599 14000.0 275.1749 3700.0 289.1861 20000.0 293.3329 3300.0 303.1698 190000.0 304.1734 25000.0 319.1651 3400.0 320.1966 6700.0 321.1259 21000.0 325.1786 3400.0 330.1809 25000.0 331.969 4100.0 344.196 70000.0 345.2 11000.0 347.1917 4000.0 348.1901 6700.0 362.153 12000.0 362.2072 19000.0 373.2081 10000.0 389.2544 4400.0 390.2339 36000.0 391.2383 4900.0 399.6643 3300.0 401.219 5300.0 415.2697 3800.0 417.2135 4400.0 419.2275 27000.0 422.2427 18000.0 433.2802 6200.0 436.9244 4100.0 443.2646 25000.0 444.2684 4100.0 450.2379 200000.0 451.2415 19000.0 460.0566 3700.0 461.2753 12000.0 468.1949 8600.0 476.2494 3800.0 494.2607 13000.0 502.265 3600.0 504.3187 4500.0 505.2795 5300.0 507.2596 30000.0 514.3023 13000.0 519.292 12000.0 520.2772 9200.0 523.2901 8500.0 532.3126 16000.0 533.2749 280000.0 534.2783 45000.0 536.2717 13000.0 537.2767 6300.0 537.3032 23000.0 549.2706 4400.0 551.2318 26000.0 551.2855 170000.0 552.2881 24000.0 604.3496 7400.0 605.3492 3400.0 606.3272 17000.0 607.3448 17000.0 608.3452 4300.0 621.3583 4500.0 631.3433 4700.0 632.3433 410000.0 632.3742 13000.0 633.3439 52000.0 635.5066 3800.0 639.1583 4000.0 649.3544 32000.0 650.3002 13000.0 650.3552 82000.0 650.3868 31000.0 651.316 7400.0 651.3581 7200.0 703.3805 8800.0 721.3904 32000.0 722.3963 6000.0 738.4426 3700.0 778.4125 3600.0 803.413 5300.0 821.4559 62000.0 839.465 570000.0 840.388 5200.0 840.4683 96000.0 END IONS BEGIN IONS SCANS=254 PEPMASS=840.3947 CHARGE=1 COLLISION_ENERGY=0.0 59.0453 2500.0 59.1189 3100.0 60.8329 2800.0 61.1277 2600.0 65.7206 2900.0 66.124 2600.0 67.0632 2500.0 68.243 3000.0 70.8528 3100.0 72.0813 4900.0 76.7718 3200.0 77.3973 3300.0 79.7459 2800.0 80.2249 2900.0 82.1761 3000.0 85.6047 3100.0 86.0968 130000.0 87.1001 13000.0 93.8813 2900.0 96.195 2900.0 99.3225 2900.0 102.1552 3600.0 104.0533 50000.0 109.7339 3100.0 112.4862 3500.0 114.5068 3100.0 118.762 3000.0 119.7003 3000.0 120.0654 2900.0 120.0781 5000.0 120.0807 50000.0 121.0714 3500.0 121.0841 14000.0 124.9752 2900.0 134.0437 3400.0 137.1336 2800.0 141.2341 3100.0 162.0906 3000.0 171.1127 9100.0 172.1084 3200.0 187.1073 8600.0 198.0631 2900.0 201.1224 3000.0 201.9745 3200.0 204.1309 3000.0 207.0976 9400.0 209.9951 3100.0 231.1122 20000.0 232.1158 9800.0 233.1646 4300.0 234.1674 4900.0 236.4695 3100.0 252.175 3000.0 253.2703 3200.0 261.1596 5500.0 262.1386 3100.0 262.1626 4300.0 270.1445 12000.0 270.7307 3800.0 271.1475 5000.0 272.1599 11000.0 275.1734 5400.0 276.1778 3500.0 277.1539 4400.0 288.1544 6100.0 290.1706 5800.0 302.1865 8800.0 303.1699 250000.0 304.173 150000.0 305.1771 18000.0 306.1655 6100.0 307.1678 4100.0 321.1263 73000.0 322.1297 5700.0 330.1806 42000.0 331.1839 27000.0 332.1873 4700.0 344.196 130000.0 345.1996 99000.0 346.2029 12000.0 352.1497 3000.0 353.1814 4800.0 354.1854 3900.0 361.207 7100.0 362.1523 64000.0 362.2084 9100.0 365.6296 3100.0 371.1917 13000.0 372.1958 5100.0 373.2077 9300.0 389.2024 13000.0 390.2045 12000.0 390.2337 5900.0 390.6179 3700.0 416.2728 5500.0 417.212 12000.0 418.1999 2900.0 418.2161 12000.0 422.2438 8100.0 423.2465 7900.0 425.0358 3400.0 443.2642 20000.0 444.2683 27000.0 445.2708 4600.0 450.2381 74000.0 451.2409 70000.0 452.2447 13000.0 459.7482 3100.0 461.2206 11000.0 468.1945 22000.0 495.2687 3100.0 500.2491 6000.0 501.2511 5700.0 502.2657 4900.0 507.2587 7800.0 508.2632 3400.0 509.2788 7100.0 515.2678 4300.0 518.259 3900.0 519.2618 10000.0 520.2757 21000.0 530.2965 3600.0 531.2997 11000.0 532.2582 6400.0 533.2751 130000.0 534.2782 220000.0 535.2812 74000.0 536.27 32000.0 537.2734 50000.0 538.2769 16000.0 550.2725 11000.0 551.2313 94000.0 551.2861 29000.0 552.2339 15000.0 552.2883 18000.0 553.2919 7400.0 569.2418 13000.0 604.3471 4000.0 605.3525 12000.0 606.3531 4100.0 614.3359 11000.0 622.3043 12000.0 622.3608 9800.0 623.3214 5800.0 632.3435 100000.0 632.3748 4800.0 633.3044 5400.0 633.3464 150000.0 634.3494 39000.0 647.3245 4500.0 649.3561 31000.0 650.2992 60000.0 650.3579 140000.0 651.3178 52000.0 651.3586 56000.0 652.3242 3200.0 652.3601 4400.0 653.3349 7900.0 668.3096 4000.0 670.2892 4100.0 689.1318 4100.0 702.3663 6900.0 719.3746 4600.0 720.377 27000.0 721.3343 6000.0 721.3821 5900.0 722.3926 4600.0 739.348 5400.0 740.3669 11000.0 741.3674 7100.0 752.4033 4200.0 758.246 4000.0 776.3921 5100.0 800.1806 4100.0 803.4163 19000.0 804.4173 14000.0 805.0322 3600.0 811.4405 14000.0 812.3998 8000.0 812.441 7600.0 813.4042 4500.0 821.4221 16000.0 822.3823 10000.0 822.4272 13000.0 839.4281 32000.0 839.4711 35000.0 840.3891 59000.0 840.4362 13000.0 840.4717 35000.0 841.3925 9400.0 867.8016 4100.0 END IONS BEGIN IONS SCANS=255 PEPMASS=840.4248 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 2300.0 184.0735 1500.0 303.17 6600.0 339.1709 1200.0 344.1966 2600.0 429.6773 4000.0 430.1795 2300.0 430.6785 1200.0 437.1873 1700.0 437.688 1700.0 450.237 3000.0 502.2653 1100.0 520.2767 1700.0 533.2753 5100.0 534.2784 2900.0 615.3497 1600.0 632.3441 4500.0 633.3624 3100.0 634.363 1300.0 711.3823 2700.0 739.3781 3000.0 796.4356 2000.0 805.4307 1100.0 822.4406 1600.0 823.4459 1000.0 839.6009 1100.0 840.4254 830000.0 841.4285 140000.0 858.3447 1000.0 END IONS BEGIN IONS SCANS=256 PEPMASS=840.449 CHARGE=1 COLLISION_ENERGY=0.0 62.2512 92000.0 63.1566 84000.0 63.1888 110000.0 68.6138 92000.0 69.6892 82000.0 72.081 190000.0 74.2324 84000.0 77.6392 81000.0 77.8833 96000.0 77.891 79000.0 78.4012 91000.0 78.9061 86000.0 81.2877 97000.0 86.0947 110000.0 86.0965 1800000.0 89.4998 87000.0 90.7043 79000.0 91.508 370000.0 95.7034 85000.0 95.8052 86000.0 98.6434 85000.0 101.9006 110000.0 106.4921 96000.0 119.9884 90000.0 120.0804 1200000.0 131.366 89000.0 132.9553 92000.0 140.3259 110000.0 144.3707 96000.0 153.5906 93000.0 159.0992 100000.0 173.0913 210000.0 173.1279 98000.0 175.5383 100000.0 190.0846 100000.0 191.1021 440000.0 201.1235 620000.0 231.1125 400000.0 233.1642 100000.0 249.1224 370000.0 252.9821 140000.0 260.6927 110000.0 261.1592 480000.0 272.1597 870000.0 275.1742 190000.0 276.1698 300000.0 285.8151 95000.0 290.1702 120000.0 293.7147 95000.0 302.1857 120000.0 303.17 13000000.0 304.1736 690000.0 318.18 160000.0 320.1967 210000.0 330.1801 1600000.0 334.1894 92000.0 334.2114 110000.0 344.1963 5100000.0 345.2 320000.0 348.1906 450000.0 361.5055 100000.0 362.2068 1300000.0 363.21 110000.0 373.2078 930000.0 389.2541 210000.0 391.2177 700000.0 391.2321 170000.0 392.221 130000.0 401.2169 160000.0 415.2696 430000.0 417.2464 140000.0 419.228 1400000.0 422.2429 1300000.0 433.2796 310000.0 443.2646 1800000.0 450.1609 110000.0 450.2381 12000000.0 451.2409 870000.0 461.2753 1000000.0 471.3026 98000.0 504.3172 260000.0 505.2794 310000.0 507.2594 2600000.0 508.2625 280000.0 514.3016 660000.0 520.2763 500000.0 523.2903 500000.0 532.312 1100000.0 533.275 22000000.0 534.2778 2400000.0 538.2858 1600000.0 539.2917 170000.0 539.3371 100000.0 542.4793 110000.0 542.5358 110000.0 551.2853 7300000.0 552.2882 600000.0 586.6416 110000.0 604.3483 550000.0 606.3271 880000.0 607.7186 100000.0 608.2352 130000.0 632.3431 19000000.0 633.345 2100000.0 650.3539 1200000.0 651.3709 3300000.0 652.3741 440000.0 703.3809 270000.0 721.3884 620000.0 722.3951 100000.0 757.7377 110000.0 782.868 110000.0 822.4371 880000.0 823.4418 190000.0 END IONS BEGIN IONS SCANS=257 PEPMASS=840.4492 CHARGE=1 COLLISION_ENERGY=0.0 60.1496 1400.0 60.8203 1300.0 62.6038 1500.0 71.983 1500.0 72.0812 3700.0 76.7324 1500.0 79.4544 1400.0 86.0968 53000.0 93.6049 1400.0 106.2748 1700.0 111.2638 1400.0 112.4609 1500.0 120.0757 1300.0 120.0806 23000.0 125.3108 1300.0 125.7409 1500.0 132.9288 1400.0 141.147 1600.0 147.956 2000.0 149.6554 1500.0 161.9424 1800.0 167.8243 1700.0 171.113 2800.0 173.0921 4600.0 173.3772 1800.0 178.5407 1700.0 184.2395 1600.0 184.6921 1500.0 185.972 1400.0 186.7309 1500.0 190.0855 1200.0 190.1182 3600.0 191.1027 8900.0 201.1235 8800.0 212.6221 1400.0 213.4916 1500.0 218.9461 1400.0 221.1279 2500.0 231.1124 8900.0 233.1645 4600.0 240.3594 1500.0 249.1232 15000.0 250.1256 1600.0 257.7866 1500.0 261.1592 5600.0 272.1599 18000.0 275.1752 4100.0 276.17 2400.0 285.9831 2000.0 289.186 1900.0 290.0959 1500.0 290.1711 2800.0 302.1867 2200.0 303.17 290000.0 304.173 18000.0 305.9862 1400.0 306.6639 1700.0 318.18 1800.0 319.1642 10000.0 320.168 5900.0 320.1962 2700.0 330.1804 24000.0 331.185 3100.0 337.12 1500.0 341.1155 1500.0 344.1962 65000.0 345.1995 7500.0 348.1911 7200.0 362.207 15000.0 369.187 1500.0 373.2074 14000.0 389.2537 2400.0 390.2329 4300.0 391.218 13000.0 391.232 2300.0 401.2175 2700.0 415.2699 4400.0 417.2491 1700.0 419.2282 21000.0 420.231 1800.0 422.2432 25000.0 423.2454 2900.0 433.2796 4300.0 435.2402 2000.0 443.2641 21000.0 444.2675 2800.0 450.238 260000.0 451.2411 27000.0 461.275 11000.0 485.5311 1700.0 504.3176 3600.0 505.2798 4700.0 505.4759 1500.0 507.2595 39000.0 507.4679 1600.0 508.2624 5900.0 509.3683 1700.0 514.3023 9800.0 519.2922 4100.0 520.275 11000.0 521.2793 2100.0 523.2909 7400.0 532.3117 11000.0 533.275 400000.0 534.2786 48000.0 537.3039 2500.0 538.2853 21000.0 539.2884 3300.0 549.272 2700.0 550.2731 6500.0 551.2855 150000.0 552.2892 21000.0 604.3492 12000.0 605.3511 2600.0 606.3273 15000.0 607.3337 1700.0 622.3581 3800.0 623.3578 1600.0 632.3433 380000.0 633.3459 62000.0 634.3623 6500.0 635.3667 2300.0 648.1812 1900.0 649.3434 3500.0 650.3538 26000.0 650.3845 2900.0 651.3707 45000.0 652.373 4400.0 703.38 12000.0 721.39 19000.0 722.3938 6200.0 755.3981 1600.0 759.4052 1800.0 776.395 3500.0 795.4119 2200.0 796.4178 2000.0 821.4555 5900.0 822.4333 17000.0 823.4409 4400.0 829.7916 2000.0 839.4656 32000.0 840.4686 30000.0 END IONS BEGIN IONS SCANS=258 PEPMASS=840.4666 CHARGE=1 COLLISION_ENERGY=0.0 60.7132 2600.0 66.755 2400.0 66.9189 2400.0 70.0258 2400.0 71.1782 2400.0 74.8802 2300.0 84.0981 2600.0 84.353 3000.0 86.0948 3100.0 86.0965 36000.0 86.5186 2500.0 87.0661 2500.0 96.1471 2500.0 97.7913 2900.0 113.9674 2900.0 114.1861 3200.0 117.0951 2900.0 117.2202 2300.0 119.5559 2700.0 120.0806 24000.0 122.9899 2600.0 133.0323 2800.0 142.9716 2500.0 144.5501 2600.0 162.0898 3700.0 163.9875 3000.0 173.0914 5900.0 177.3404 2700.0 190.118 9100.0 191.1018 8700.0 197.5174 2700.0 201.123 11000.0 219.2382 2800.0 221.1288 4000.0 225.1848 2700.0 231.1124 11000.0 233.1636 3600.0 236.7109 2600.0 241.3832 2700.0 249.1225 12000.0 249.1404 2700.0 261.1585 8100.0 269.2869 2800.0 271.1759 6400.0 272.1603 26000.0 276.1693 3800.0 287.7466 2800.0 289.186 3700.0 290.1696 3200.0 290.6946 2800.0 303.17 270000.0 304.1737 14000.0 318.1806 5100.0 320.1955 4700.0 330.1808 35000.0 334.2111 3900.0 344.1962 120000.0 345.1994 9600.0 348.1908 9600.0 362.2072 23000.0 373.2071 12000.0 389.2543 5000.0 390.2337 15000.0 391.2173 15000.0 391.2346 3200.0 397.1156 3100.0 401.2176 6500.0 407.5685 2600.0 415.2707 5400.0 417.2483 6300.0 419.2284 29000.0 420.2317 3100.0 422.2433 28000.0 433.2799 7900.0 442.0903 3100.0 443.2649 29000.0 443.5885 2600.0 450.2381 260000.0 451.2418 35000.0 461.2744 18000.0 462.2789 5400.0 502.8209 3100.0 504.3175 5200.0 505.279 2700.0 507.2595 54000.0 508.2625 9400.0 514.3015 9600.0 519.2919 5500.0 520.2765 5400.0 523.2907 12000.0 532.3132 20000.0 533.2751 440000.0 534.2783 62000.0 537.3023 12000.0 538.2863 28000.0 539.2905 4400.0 542.2508 2900.0 551.2855 160000.0 552.2886 32000.0 604.3494 7400.0 606.327 13000.0 607.3303 4700.0 608.3511 3000.0 625.8734 3000.0 632.3434 410000.0 633.3466 95000.0 650.3537 40000.0 650.3853 12000.0 651.3705 61000.0 652.3749 14000.0 703.3806 11000.0 721.3904 18000.0 722.3955 11000.0 821.4548 11000.0 822.4406 12000.0 839.4649 95000.0 840.4685 110000.0 841.4704 6700.0 END IONS BEGIN IONS SCANS=259 PEPMASS=841.4117 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 9500.0 121.0835 1500.0 126.175 1900.0 133.6718 1800.0 137.0398 2200.0 143.4164 1700.0 144.5344 1700.0 145.9924 2000.0 150.2501 1700.0 164.6498 1800.0 165.095 1900.0 169.1208 2100.0 170.1908 2000.0 171.0177 2000.0 171.1124 4400.0 173.0918 2200.0 174.0339 1900.0 174.4076 2000.0 182.1933 2300.0 183.1602 2100.0 185.126 2200.0 189.7453 1900.0 195.0513 2000.0 199.0686 2200.0 207.1665 2000.0 208.4572 2300.0 209.8587 2100.0 210.0683 2300.0 223.3399 2100.0 231.1122 3600.0 235.6996 2500.0 239.8909 2200.0 241.3995 2200.0 244.0691 2200.0 247.9767 2300.0 252.7298 2400.0 264.3918 2200.0 272.16 5900.0 273.1634 3200.0 290.1707 7400.0 299.369 2300.0 302.1859 3100.0 303.1699 82000.0 303.1898 2800.0 304.1733 45000.0 305.1762 14000.0 309.7597 2300.0 319.0191 2400.0 328.1862 3000.0 330.1813 11000.0 330.4296 2900.0 331.1845 5300.0 335.1569 8900.0 344.1965 33000.0 344.6552 5100.0 345.2 24000.0 346.2037 5700.0 357.1597 2800.0 357.1705 12000.0 357.6719 4400.0 363.2408 2500.0 373.2077 17000.0 374.2112 11000.0 380.1726 23000.0 380.6735 6900.0 381.1762 2900.0 399.696 16000.0 400.1978 5300.0 400.8167 2900.0 401.2174 6200.0 421.6888 3700.0 422.2434 3800.0 423.2471 8000.0 430.6966 420000.0 431.1983 190000.0 431.6998 33000.0 443.2644 7300.0 444.2685 6500.0 449.166 4000.0 450.2385 45000.0 451.2415 47000.0 452.2448 28000.0 460.0046 3200.0 482.7446 2600.0 488.353 2800.0 502.2656 7600.0 503.2694 7900.0 504.2724 5500.0 512.2773 2800.0 514.3024 5100.0 520.2764 48000.0 521.2796 63000.0 522.2827 44000.0 533.2753 83000.0 534.2786 110000.0 535.2817 83000.0 536.2836 6300.0 541.0913 2600.0 551.2863 9700.0 552.289 14000.0 553.2914 14000.0 604.349 7200.0 605.3528 4100.0 607.3309 2700.0 615.3491 5500.0 616.3524 11000.0 617.3561 9100.0 632.3438 76000.0 633.3474 79000.0 633.3599 57000.0 634.3497 93000.0 634.3637 81000.0 635.3671 150000.0 636.3687 23000.0 647.4136 3000.0 650.3539 7000.0 651.3572 16000.0 652.3592 25000.0 653.3373 4200.0 654.3387 3600.0 666.9921 3100.0 687.3161 13000.0 688.3207 4300.0 703.3802 6200.0 704.3837 11000.0 705.3866 23000.0 713.3331 3400.0 721.3909 4200.0 722.3938 12000.0 723.3699 4900.0 723.3981 28000.0 724.4028 4100.0 725.3781 6100.0 751.4035 4300.0 753.4086 9600.0 757.4282 3200.0 772.3353 7300.0 778.4396 3000.0 779.4257 4900.0 794.4456 4800.0 795.4479 11000.0 796.4511 29000.0 797.4515 6100.0 798.3503 7000.0 804.4283 13000.0 805.4331 19000.0 806.4348 79000.0 807.4371 17000.0 816.3596 250000.0 817.3629 130000.0 818.3658 24000.0 822.439 63000.0 823.4421 76000.0 824.4451 310000.0 825.4471 64000.0 832.9088 5900.0 841.4134 400000.0 841.9146 500000.0 842.4153 270000.0 842.9171 35000.0 860.3862 170000.0 861.3893 72000.0 862.394 17000.0 890.4886 3300.0 903.2911 4300.0 1105.5902 3500.0 1159.0477 3500.0 1224.8625 4000.0 1526.0809 3300.0 1590.3546 3700.0 1594.5885 4000.0 END IONS BEGIN IONS SCANS=260 PEPMASS=841.9131 CHARGE=1 COLLISION_ENERGY=0.0 60.5685 8600.0 62.6277 8900.0 63.4947 8100.0 65.108 10000.0 66.8185 9200.0 67.7957 10000.0 74.9456 8700.0 78.346 10000.0 84.0767 11000.0 86.0969 190000.0 87.0999 35000.0 91.5082 27000.0 94.2041 10000.0 105.5679 12000.0 106.4697 10000.0 109.4088 13000.0 118.4685 9800.0 120.0807 74000.0 120.9964 11000.0 139.9279 12000.0 156.8018 11000.0 171.1125 25000.0 174.1927 12000.0 176.4801 10000.0 195.9115 12000.0 197.4761 11000.0 199.9764 12000.0 204.0284 13000.0 218.4058 12000.0 231.1123 35000.0 246.1437 11000.0 250.5737 13000.0 272.1598 44000.0 272.4954 10000.0 273.1629 21000.0 274.1666 15000.0 290.17 48000.0 290.2393 11000.0 302.1845 14000.0 303.1699 570000.0 304.173 330000.0 305.1769 81000.0 307.3705 13000.0 330.1805 68000.0 330.2728 11000.0 330.7297 12000.0 331.1842 33000.0 332.1853 14000.0 335.1565 36000.0 336.1567 11000.0 344.196 180000.0 345.1996 160000.0 345.2116 20000.0 346.2035 56000.0 351.3144 12000.0 355.1963 23000.0 356.2012 11000.0 357.1691 71000.0 357.6721 32000.0 358.1729 14000.0 362.2068 12000.0 367.5229 12000.0 373.2075 86000.0 374.2117 42000.0 376.6848 10000.0 380.1726 130000.0 380.6742 30000.0 381.1765 13000.0 394.4341 13000.0 399.6953 88000.0 400.1973 32000.0 400.6993 15000.0 401.2025 28000.0 401.2165 20000.0 408.685 10000.0 416.2685 10000.0 420.2324 14000.0 421.6909 15000.0 422.192 15000.0 422.2428 30000.0 423.2471 28000.0 430.6964 2500000.0 431.1978 1200000.0 431.699 250000.0 432.2007 15000.0 443.2633 43000.0 444.2681 35000.0 445.2711 30000.0 450.238 150000.0 451.2417 180000.0 452.2438 120000.0 492.2796 21000.0 502.2657 41000.0 503.269 35000.0 504.2713 22000.0 514.3021 21000.0 515.3033 24000.0 516.3076 17000.0 520.2762 150000.0 521.2791 190000.0 522.2819 150000.0 533.2748 310000.0 534.2781 400000.0 535.2812 390000.0 536.284 44000.0 551.2847 32000.0 552.2894 66000.0 553.2915 54000.0 604.3478 43000.0 605.3523 22000.0 606.3538 14000.0 607.3683 17000.0 608.3325 14000.0 615.3488 34000.0 616.3533 15000.0 617.3547 57000.0 632.3429 190000.0 633.347 220000.0 634.3499 340000.0 634.3631 260000.0 635.3665 470000.0 635.4563 14000.0 636.3686 70000.0 642.2969 14000.0 646.2786 14000.0 648.3034 13000.0 651.3564 26000.0 651.6252 14000.0 652.3589 61000.0 653.335 22000.0 654.3397 19000.0 670.2906 12000.0 680.6982 12000.0 687.3156 57000.0 703.3805 43000.0 704.3837 45000.0 705.3863 80000.0 722.394 30000.0 723.3977 35000.0 725.3765 31000.0 753.4072 25000.0 759.34 14000.0 779.4233 15000.0 780.3154 13000.0 795.4441 13000.0 796.4492 96000.0 797.4536 21000.0 798.3486 17000.0 804.4295 17000.0 805.4305 48000.0 806.4342 190000.0 807.4343 20000.0 816.3592 590000.0 817.3622 260000.0 818.3668 58000.0 822.4382 77000.0 823.4414 110000.0 824.4442 530000.0 825.4474 90000.0 841.4117 430000.0 841.9141 520000.0 842.4139 250000.0 842.918 53000.0 860.386 180000.0 861.3876 93000.0 END IONS BEGIN IONS SCANS=261 PEPMASS=842.4037 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 303.1697 2200.0 304.1729 2300.0 345.2003 1000.0 380.1727 1000.0 430.6963 6900.0 431.1974 5600.0 431.6995 1600.0 450.2385 1200.0 451.2415 1700.0 521.2803 1400.0 522.2805 1300.0 533.276 1300.0 534.2766 3000.0 535.2813 2300.0 633.3451 2700.0 634.3461 2600.0 635.3671 3100.0 636.3676 1200.0 816.3605 1500.0 824.4431 3500.0 825.4476 1200.0 841.9155 1900.0 842.4044 300000.0 843.4074 51000.0 END IONS BEGIN IONS SCANS=262 PEPMASS=842.4042 CHARGE=1 COLLISION_ENERGY=0.0 184.0733 1100.0 303.1701 1900.0 534.2797 1600.0 713.3607 2600.0 741.3561 2200.0 798.4126 1200.0 841.3952 1100.0 842.4045 590000.0 843.4077 99000.0 END IONS BEGIN IONS SCANS=263 PEPMASS=842.4052 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 303.1697 2200.0 304.1729 2300.0 345.2003 1000.0 380.1727 1000.0 430.6963 6900.0 431.1974 5600.0 431.6995 1600.0 450.2385 1200.0 451.2415 1700.0 521.2803 1400.0 522.2805 1300.0 533.276 1300.0 534.2766 3000.0 535.2813 2300.0 633.3451 2700.0 634.3461 2600.0 635.3671 3100.0 636.3676 1200.0 816.3605 1500.0 824.4431 3500.0 825.4476 1200.0 841.9155 1900.0 842.4044 300000.0 843.4074 51000.0 END IONS BEGIN IONS SCANS=264 PEPMASS=842.4056 CHARGE=1 COLLISION_ENERGY=0.0 184.0733 1100.0 303.1701 1900.0 534.2797 1600.0 713.3607 2600.0 741.3561 2200.0 798.4126 1200.0 841.3952 1100.0 842.4045 590000.0 843.4077 99000.0 END IONS BEGIN IONS SCANS=265 PEPMASS=842.4055 CHARGE=1 COLLISION_ENERGY=0.0 184.0731 1400.0 303.1693 1100.0 798.4142 1200.0 841.6067 1100.0 842.3821 290000.0 843.3848 46000.0 END IONS BEGIN IONS SCANS=266 PEPMASS=842.4781 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 5400.0 91.5081 2900.0 120.0809 3900.0 122.0391 1100.0 184.0731 1700.0 193.133 4500.0 201.1232 1000.0 229.154 2500.0 230.158 1100.0 249.1232 1400.0 261.1593 2000.0 272.1594 1800.0 292.2014 1300.0 303.1699 45000.0 304.1745 2600.0 330.1802 6200.0 344.1962 24000.0 348.192 1500.0 362.2072 3600.0 393.2487 2800.0 402.1546 1200.0 414.6486 1100.0 415.2701 2400.0 419.2281 3300.0 422.2427 2700.0 433.2801 2800.0 440.2943 1300.0 440.7175 2700.0 443.265 5000.0 450.238 36000.0 451.2413 2500.0 461.2748 3700.0 504.3177 1300.0 505.2812 1600.0 507.2594 7000.0 514.3034 1300.0 523.2911 1800.0 532.3107 1400.0 533.275 72000.0 534.2783 9000.0 540.317 1700.0 551.2853 22000.0 552.2883 4000.0 575.5021 1500.0 604.3494 1400.0 606.3272 2100.0 632.343 46000.0 633.3458 5600.0 647.421 1100.0 650.3535 3600.0 653.4003 5400.0 687.3145 1200.0 703.3801 1400.0 713.3414 1600.0 787.7097 1100.0 798.4148 5600.0 841.3781 1000.0 842.383 670000.0 843.3859 140000.0 END IONS BEGIN IONS SCANS=267 PEPMASS=843.4406 CHARGE=1 COLLISION_ENERGY=0.0 60.5241 1000.0 71.3363 1100.0 78.1294 1100.0 81.8958 1000.0 86.0968 27000.0 95.8199 1200.0 112.3377 1100.0 112.882 1000.0 120.0807 1400.0 130.065 3800.0 139.7208 1000.0 141.1023 1400.0 148.4454 1100.0 154.4963 1100.0 155.1175 1200.0 157.4465 1100.0 159.0916 170000.0 160.095 4200.0 161.9262 1000.0 171.1125 3500.0 180.9757 1100.0 187.0865 1800.0 201.1236 3200.0 253.0135 1100.0 253.0972 3300.0 254.1497 4000.0 263.5502 1000.0 266.149 6400.0 268.1652 1400.0 270.1234 24000.0 272.1602 2200.0 272.1754 4500.0 275.1755 1600.0 288.1338 2600.0 300.17 17000.0 303.1698 77000.0 304.174 4700.0 309.1915 2500.0 310.1755 1900.0 311.1708 1100.0 321.7643 1100.0 327.2025 1700.0 329.3722 1100.0 333.1561 1100.0 337.1865 3700.0 337.222 1300.0 338.1702 3700.0 341.1607 1400.0 355.1971 12000.0 360.1923 1700.0 367.2329 2700.0 369.1916 26000.0 371.1711 3400.0 372.862 1100.0 383.1929 1800.0 383.207 45000.0 384.2108 2100.0 387.2024 1100.0 394.2058 1100.0 397.1858 1400.0 401.2167 4800.0 424.1969 1700.0 440.2285 11000.0 441.3443 1200.0 443.2279 8100.0 450.2704 2000.0 452.2286 2900.0 454.2449 2500.0 454.2802 3000.0 455.2281 35000.0 456.2303 2000.0 461.2539 17000.0 468.2808 1600.0 470.2394 5400.0 482.2747 15000.0 483.2788 1900.0 484.2552 4300.0 489.249 53000.0 489.8514 1000.0 490.2529 6100.0 496.2553 1200.0 500.2635 1500.0 500.2848 1500.0 501.4175 1100.0 513.2815 1900.0 523.2646 2200.0 524.2494 9400.0 541.2759 43000.0 542.2802 4400.0 546.2699 7200.0 553.3118 14000.0 555.2937 1800.0 562.3021 2100.0 565.3138 3000.0 566.4008 1100.0 569.27 1600.0 572.2855 100000.0 573.2886 12000.0 576.8875 1300.0 590.2963 14000.0 591.3012 1400.0 609.3352 1300.0 626.3654 2800.0 636.3483 7300.0 643.3595 3700.0 644.4424 1100.0 645.3384 2300.0 654.3596 75000.0 655.364 7400.0 671.3541 80000.0 672.3574 11000.0 673.3328 7800.0 674.3392 1900.0 698.787 1100.0 728.8422 1100.0 741.3578 1500.0 742.3923 9300.0 743.3929 1300.0 744.3723 2000.0 757.4792 1200.0 798.4153 1300.0 815.4445 3100.0 825.4287 4500.0 842.4047 170000.0 843.4073 180000.0 844.3658 91000.0 844.4181 68000.0 878.1713 1400.0 END IONS BEGIN IONS SCANS=268 PEPMASS=844.4201 CHARGE=1 COLLISION_ENERGY=0.0 542.2585 1100.0 634.3484 1200.0 644.3413 1300.0 655.3423 1000.0 672.3345 1500.0 699.3855 1200.0 715.3779 14000.0 716.3813 1300.0 743.3724 28000.0 744.3761 3400.0 800.3881 5500.0 800.4312 4300.0 826.4094 4200.0 843.4086 12000.0 843.4728 1500.0 844.4197 1200000.0 845.4229 200000.0 END IONS BEGIN IONS SCANS=269 PEPMASS=845.4059 CHARGE=2 COLLISION_ENERGY=0.0 120.0806 2700.0 184.073 1800.0 231.1124 1800.0 233.1651 1200.0 303.1699 17000.0 304.1736 2600.0 313.2739 1200.0 317.1856 16000.0 318.1888 2300.0 330.1812 3000.0 336.1486 1800.0 336.6454 12000.0 337.1474 4100.0 344.1963 17000.0 345.2003 2100.0 350.1503 1500.0 355.1964 1900.0 369.213 2700.0 371.167 1200.0 371.6653 3600.0 372.1641 26000.0 372.6665 6700.0 386.1614 11000.0 386.6627 4400.0 387.1631 1000.0 397.209 1000.0 401.218 2400.0 415.2335 2800.0 422.2437 1100.0 427.6798 3600.0 428.1815 1200.0 435.6879 10000.0 436.1875 37000.0 436.2596 1900.0 436.6857 310000.0 437.187 120000.0 437.6875 17000.0 443.265 2600.0 445.2438 2100.0 450.2385 15000.0 451.2419 2100.0 457.281 2100.0 464.2543 10000.0 465.2578 2400.0 484.256 1400.0 502.2658 15000.0 503.2691 2400.0 507.2594 1100.0 514.3019 5000.0 516.2816 14000.0 517.2842 2400.0 528.3187 2400.0 533.2753 23000.0 534.2787 5400.0 547.2911 14000.0 548.2939 5100.0 551.2862 4500.0 552.289 2000.0 561.2149 2700.0 565.3012 2500.0 566.3054 1000.0 575.2318 1500.0 597.3392 1400.0 611.3542 1800.0 615.3498 28000.0 616.3527 7100.0 618.3651 4200.0 619.3684 1300.0 629.3654 24000.0 630.3683 6600.0 634.3229 3500.0 646.3596 49000.0 647.3626 15000.0 648.3384 2000.0 664.3704 5500.0 665.3722 1500.0 672.2844 12000.0 673.2872 3100.0 700.279 15000.0 701.2823 4800.0 702.2805 1200.0 705.3596 1200.0 717.3063 1500.0 717.3961 10000.0 718.4022 3400.0 744.3263 1100.0 771.3166 4800.0 773.3165 1700.0 790.45 2600.0 800.4337 3000.0 810.3627 4900.0 811.3674 1600.0 815.2936 1400.0 818.4451 16000.0 819.4469 6900.0 827.3799 3400.0 828.3005 4100.0 828.337 7400.0 828.3739 45000.0 829.305 1500.0 829.34 2900.0 829.3774 16000.0 830.3728 3200.0 844.3878 57000.0 844.4358 50000.0 844.9056 5000.0 845.3921 38000.0 845.4341 12000.0 845.582 1700.0 845.9061 26000.0 846.4028 4500.0 854.3527 6200.0 855.3571 2300.0 870.3688 5600.0 871.3116 1200.0 871.366 18000.0 872.3639 190000.0 873.3665 73000.0 874.3667 14000.0 1067.074 1000.0 END IONS BEGIN IONS SCANS=270 PEPMASS=846.4766 CHARGE=1 COLLISION_ENERGY=0.0 61.1922 5300.0 61.3552 5600.0 61.7932 5800.0 62.7329 6100.0 63.8483 5900.0 65.9163 5900.0 67.0138 7400.0 72.0814 9500.0 72.5268 6400.0 76.8151 6200.0 82.1325 5800.0 86.0968 230000.0 89.2805 6000.0 92.6477 6500.0 96.0987 7600.0 97.8281 7800.0 110.6335 6800.0 118.1371 6500.0 120.0778 12000.0 120.0808 67000.0 123.5639 7600.0 167.6068 6600.0 171.1125 13000.0 172.8256 7000.0 201.1233 19000.0 204.1376 7800.0 210.0421 6900.0 216.8505 7400.0 231.1123 38000.0 232.1329 120000.0 233.1649 38000.0 238.5366 6900.0 249.1235 6700.0 254.1494 8600.0 261.1584 45000.0 267.1337 6700.0 272.1592 9100.0 293.2971 8000.0 302.149 9200.0 302.1858 20000.0 303.074 6800.0 309.1914 11000.0 310.1758 9900.0 315.388 7400.0 317.2227 11000.0 330.1805 150000.0 331.1844 8300.0 332.16 19000.0 337.1863 20000.0 338.1707 36000.0 339.2379 8000.0 344.1964 600000.0 345.1991 28000.0 345.2166 990000.0 346.2202 60000.0 355.1972 96000.0 358.1748 11000.0 362.2066 34000.0 367.2333 13000.0 373.2219 10000.0 383.1917 31000.0 385.1868 7400.0 398.5681 6700.0 401.2181 78000.0 402.2196 8500.0 403.1958 11000.0 415.2334 15000.0 415.269 42000.0 427.2324 7400.0 431.2281 32000.0 433.2813 8000.0 443.2646 160000.0 445.244 39000.0 450.2687 18000.0 461.275 14000.0 461.2953 7600.0 464.29 37000.0 469.2796 8100.0 474.2697 19000.0 479.2271 8000.0 484.2543 25000.0 486.3063 18000.0 492.2847 330000.0 493.2874 30000.0 502.265 240000.0 503.2686 13000.0 514.3015 200000.0 515.304 24000.0 516.2798 16000.0 523.7501 7300.0 526.3018 32000.0 530.2593 8100.0 544.3116 21000.0 549.3066 36000.0 550.6123 7600.0 557.9554 7200.0 565.3383 8800.0 569.346 6800.0 570.3267 16000.0 575.3215 620000.0 576.3249 92000.0 587.3538 33000.0 589.0074 7200.0 593.332 81000.0 594.3342 12000.0 597.3386 52000.0 600.7139 6900.0 615.349 660000.0 616.3521 72000.0 646.3945 48000.0 648.3726 12000.0 674.3898 500000.0 675.392 67000.0 676.3694 44000.0 692.4045 7000.0 708.1964 6900.0 742.7349 7300.0 745.4263 63000.0 746.4305 11000.0 747.4063 14000.0 804.9239 6600.0 818.4784 9400.0 819.4815 8500.0 828.4613 21000.0 846.471 13000.0 END IONS BEGIN IONS SCANS=271 PEPMASS=847.4349 CHARGE=1 COLLISION_ENERGY=0.0 72.0814 1300.0 86.0968 40000.0 91.5064 1100.0 131.1182 2600.0 146.0601 9900.0 159.0918 2100.0 160.0951 1500.0 163.0864 1400.0 174.0547 6100.0 184.073 1400.0 239.0812 2800.0 254.1498 1900.0 257.0915 3300.0 274.118 15000.0 275.1749 1600.0 280.129 1000.0 292.1284 1800.0 303.1698 45000.0 304.165 33000.0 304.1729 1300.0 305.1687 1000.0 309.1914 1400.0 320.196 3200.0 337.1861 1100.0 338.1492 1900.0 338.1705 1700.0 344.1971 1200.0 345.1913 1200.0 355.1966 4300.0 356.1596 3000.0 369.192 3500.0 373.1864 9000.0 387.202 24000.0 388.2065 1100.0 391.1973 2000.0 405.2124 1300.0 409.1855 1500.0 410.2025 1100.0 427.1974 2800.0 429.1762 1200.0 444.2234 7200.0 452.2136 1000.0 468.2598 4000.0 468.2798 1100.0 474.2345 1700.0 475.2335 1400.0 486.2698 4900.0 488.25 1600.0 493.2436 12000.0 494.2473 1100.0 510.2336 2500.0 517.2761 1100.0 527.2601 3100.0 528.2447 12000.0 533.2747 1800.0 534.277 1100.0 539.2963 1000.0 542.2595 1300.0 545.2709 19000.0 546.2735 2000.0 550.2651 1700.0 557.3071 12000.0 558.2705 4700.0 558.3105 1200.0 565.2974 1600.0 576.2806 75000.0 577.2835 7800.0 594.2911 8900.0 595.2942 1100.0 629.3438 1900.0 630.3585 1600.0 640.3449 4500.0 641.3271 1200.0 647.3548 3800.0 657.3386 7400.0 658.355 58000.0 659.3577 6800.0 675.3489 46000.0 676.3524 7000.0 677.3275 4100.0 687.3495 2000.0 693.3582 1700.0 718.392 1000.0 746.3856 12000.0 747.3878 1800.0 819.4377 2200.0 829.4219 5100.0 846.3697 16000.0 846.425 13000.0 847.3699 10000.0 847.43 9000.0 847.603 2200.0 END IONS BEGIN IONS SCANS=272 PEPMASS=849.3966 CHARGE=2 COLLISION_ENERGY=0.0 120.0656 1100.0 120.0808 14000.0 155.1175 1700.0 161.815 1100.0 162.0907 2200.0 171.1128 7100.0 173.0915 2000.0 183.1124 1500.0 184.0234 1000.0 188.6722 1000.0 190.0856 1100.0 191.1021 3000.0 192.9102 1200.0 211.3448 1100.0 229.1169 1300.0 231.1127 11000.0 232.1153 1800.0 232.8434 1100.0 233.1645 3900.0 237.1017 1100.0 242.8951 1300.0 246.1444 1000.0 248.1388 1300.0 249.1221 1300.0 251.4933 1000.0 253.1523 1200.0 254.1488 1700.0 261.1595 4000.0 272.1599 14000.0 273.1637 1600.0 273.6451 1200.0 275.1753 2200.0 285.4779 1100.0 290.1704 13000.0 296.1971 1500.0 302.1863 9900.0 303.1701 190000.0 304.1732 26000.0 320.1953 1300.0 326.2433 1100.0 327.2027 2200.0 328.186 2700.0 329.1393 2900.0 329.6375 19000.0 330.1392 6700.0 330.1658 1300.0 330.1807 31000.0 330.5359 1100.0 331.1843 3400.0 332.9235 1200.0 337.1865 3400.0 342.1444 1300.0 343.6346 1500.0 344.1965 77000.0 345.2003 13000.0 345.2132 4000.0 346.217 1300.0 355.1961 7700.0 356.105 2200.0 358.6406 1200.0 361.0201 1200.0 361.492 1200.0 362.2067 2500.0 364.6577 3700.0 365.1563 16000.0 365.6577 3700.0 373.2077 25000.0 373.2228 2100.0 374.212 2800.0 378.6554 2200.0 379.1533 21000.0 379.6553 7800.0 383.0921 1900.0 388.1588 2700.0 391.2925 1400.0 401.2028 7300.0 401.2178 17000.0 401.7182 1100.0 402.2213 2900.0 406.0738 1400.0 407.1835 2700.0 407.6642 2100.0 407.6827 8300.0 415.27 13000.0 415.6799 1300.0 416.1657 2300.0 416.2722 1500.0 416.6689 6100.0 417.1713 2100.0 417.396 1200.0 419.2284 6300.0 420.2312 1200.0 421.2066 2100.0 422.243 10000.0 423.2468 2600.0 428.68 1700.0 429.678 7900.0 430.1783 5200.0 433.2799 1500.0 437.685 6200.0 437.704 4300.0 438.1852 24000.0 438.2022 2000.0 438.6829 160000.0 439.1845 61000.0 439.6847 5700.0 443.2646 19000.0 444.2681 3900.0 450.2382 94000.0 451.2416 23000.0 453.1698 1700.0 453.7024 1300.0 458.2736 1700.0 460.2906 1600.0 461.2746 1800.0 468.1467 1700.0 468.2812 2200.0 469.1524 1500.0 474.2698 1500.0 475.2416 1700.0 476.1623 1600.0 476.2496 3000.0 477.1701 4200.0 477.2525 1500.0 492.2811 6500.0 493.2843 1600.0 495.9647 1400.0 496.1765 4400.0 502.2656 20000.0 503.2687 5500.0 504.1566 1700.0 507.26 4100.0 512.1598 3000.0 514.3017 22000.0 515.2664 2400.0 515.3051 4300.0 520.1762 1700.0 520.2762 140000.0 521.183 2400.0 521.2792 24000.0 522.2817 3200.0 523.2899 2100.0 529.198 1500.0 530.1694 1400.0 532.2531 1200.0 532.3132 5100.0 533.2754 210000.0 534.2787 52000.0 535.2004 1400.0 535.2812 2100.0 538.1733 1900.0 540.1894 1500.0 540.3842 1400.0 548.2709 2900.0 550.3016 1500.0 551.2859 27000.0 552.2889 7400.0 553.2905 1600.0 556.1496 2200.0 559.2009 2800.0 560.2064 3900.0 561.1792 2100.0 561.2148 10000.0 562.2213 4300.0 578.2045 2300.0 584.1777 1900.0 587.1956 2400.0 588.3278 2200.0 589.3329 4900.0 590.3364 2700.0 597.2501 2300.0 597.3397 3300.0 600.2392 3900.0 603.2132 2900.0 604.2208 4800.0 604.349 39000.0 605.2247 1600.0 605.3517 9800.0 605.3684 4400.0 606.3281 2200.0 606.3697 2100.0 615.2508 1400.0 615.3499 23000.0 616.2214 3500.0 616.3519 7100.0 627.233 1700.0 631.2432 1800.0 632.2549 7500.0 632.3439 230000.0 633.3618 240000.0 634.3646 67000.0 635.3654 7700.0 640.2583 2300.0 648.2565 1700.0 649.3706 1800.0 650.354 22000.0 651.2582 2700.0 651.3574 7500.0 652.3345 11000.0 652.3615 2200.0 653.3367 3800.0 656.2728 2000.0 658.2681 38000.0 659.2748 27000.0 660.2499 6700.0 660.2778 6100.0 668.252 2000.0 675.3879 2400.0 676.2679 1500.0 677.2732 3600.0 684.2672 2600.0 685.2767 2100.0 685.3723 1600.0 686.2628 59000.0 687.2666 19000.0 688.2675 3500.0 696.2803 2000.0 701.2946 5000.0 702.2946 8300.0 703.2894 110000.0 703.3806 69000.0 703.8132 1900.0 704.2924 38000.0 704.3843 24000.0 705.2941 5500.0 705.3881 2500.0 721.3917 20000.0 722.3953 8500.0 723.3718 14000.0 723.4035 2100.0 724.3735 4600.0 729.3062 6000.0 730.3114 7600.0 731.3188 2600.0 740.2701 2000.0 740.3533 2500.0 744.2809 3800.0 745.2827 1900.0 747.3138 2400.0 751.4009 12000.0 752.4072 2400.0 756.2928 1600.0 757.3004 13000.0 758.3057 1900.0 759.3016 7300.0 759.335 1600.0 760.3115 2400.0 770.2957 2800.0 770.3295 4600.0 773.3178 1600.0 774.3162 4400.0 775.3107 200000.0 776.3135 93000.0 776.4333 4300.0 777.3169 18000.0 777.4108 5600.0 778.4144 3500.0 784.2946 2000.0 786.3099 4200.0 786.4183 3100.0 787.2996 24000.0 787.3348 35000.0 788.3054 110000.0 788.3405 24000.0 789.3091 38000.0 789.3438 6800.0 790.3115 4600.0 794.4443 29000.0 795.3424 1900.0 795.4468 11000.0 796.3106 4200.0 796.3445 1900.0 803.3305 1900.0 804.4288 59000.0 805.4318 24000.0 805.8564 2000.0 806.4351 2700.0 812.3258 7500.0 813.314 12000.0 813.3549 26000.0 814.3214 130000.0 814.356 21000.0 815.3247 43000.0 815.3596 4100.0 816.3259 3600.0 816.3612 1900.0 819.2885 2700.0 819.3262 3000.0 819.368 1600.0 820.2909 2300.0 820.3275 1800.0 822.4393 240000.0 823.4426 100000.0 824.4457 17000.0 826.8843 1600.0 827.3845 4300.0 829.331 2600.0 830.3351 15000.0 831.3267 130000.0 832.332 420000.0 833.3349 140000.0 834.3345 29000.0 848.4329 78000.0 848.9003 18000.0 849.3997 97000.0 849.4363 17000.0 849.9009 80000.0 850.4015 15000.0 856.3505 1600.0 857.3392 14000.0 858.3472 55000.0 859.35 21000.0 860.3505 3700.0 863.3133 4800.0 864.3165 2700.0 874.3625 15000.0 875.3578 37000.0 876.3585 330000.0 877.3612 130000.0 878.3616 27000.0 1307.3792 1600.0 1492.5072 2100.0 1492.9553 2100.0 END IONS BEGIN IONS SCANS=273 PEPMASS=850.4706 CHARGE=1 COLLISION_ENERGY=0.0 60.1216 4100.0 62.7091 4100.0 67.1085 4600.0 67.3632 4300.0 69.7889 4100.0 70.2169 4900.0 72.0814 5500.0 80.6232 5100.0 80.9108 4900.0 86.0968 160000.0 88.3221 4900.0 88.8736 5000.0 90.0747 5100.0 90.3104 4600.0 111.8755 4800.0 112.7447 4600.0 120.0809 42000.0 121.8919 4200.0 126.8612 4700.0 138.2265 4900.0 139.7576 5100.0 143.1591 5000.0 146.7208 5100.0 149.4552 5200.0 157.1526 4600.0 158.6704 5500.0 159.0533 4700.0 161.714 4500.0 162.1871 4400.0 164.4472 5200.0 167.2708 5200.0 171.1127 16000.0 171.5828 4500.0 173.0915 8400.0 190.122 11000.0 191.1024 6100.0 194.7903 5600.0 194.9225 5000.0 207.4004 6400.0 207.4317 5300.0 212.6368 4600.0 218.1175 69000.0 227.4315 5500.0 228.4204 4600.0 231.1127 25000.0 233.1645 16000.0 254.1488 7000.0 259.5185 4900.0 261.159 25000.0 272.1598 26000.0 282.1432 5100.0 290.1706 28000.0 302.186 7600.0 303.1696 5800.0 303.2061 6200.0 309.1914 6300.0 328.1859 8500.0 330.1805 70000.0 331.201 470000.0 332.2042 24000.0 339.6961 5100.0 344.1962 460000.0 345.1999 24000.0 345.2126 19000.0 348.1903 6000.0 355.1967 19000.0 362.206 8700.0 373.2079 43000.0 401.2021 18000.0 401.2177 27000.0 415.27 29000.0 419.2276 14000.0 436.4757 4500.0 443.2645 67000.0 444.2676 8300.0 449.8297 5400.0 450.2735 24000.0 455.2055 6700.0 458.2763 4900.0 463.2546 6100.0 468.281 6600.0 478.2693 170000.0 479.2729 13000.0 492.2807 18000.0 502.2647 44000.0 514.3015 42000.0 520.2755 140000.0 521.2795 9900.0 523.4053 5500.0 532.3118 14000.0 534.2918 14000.0 538.2935 4800.0 548.2703 16000.0 559.0851 4500.0 560.688 5400.0 561.3061 370000.0 562.3076 31000.0 579.3158 44000.0 580.3167 5400.0 585.9614 5700.0 587.3517 5100.0 588.3392 8500.0 597.3391 9000.0 605.3644 37000.0 615.3486 81000.0 616.3527 6800.0 623.9544 5200.0 632.3796 41000.0 633.3596 430000.0 634.3626 60000.0 649.3625 4700.0 660.3744 290000.0 661.3785 40000.0 678.3831 15000.0 680.3649 28000.0 713.2867 6100.0 731.4117 43000.0 732.4122 7200.0 749.4214 19000.0 751.4002 21000.0 751.4315 7500.0 764.3174 5400.0 767.5126 6000.0 779.4303 21000.0 793.3524 5800.0 805.4461 7000.0 810.4296 5800.0 822.4752 33000.0 823.4776 7800.0 832.4593 58000.0 833.4601 5300.0 850.4692 92000.0 851.4706 14000.0 END IONS BEGIN IONS SCANS=274 PEPMASS=850.4866 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 11000.0 120.0809 3100.0 218.1176 2400.0 231.1128 1400.0 233.1647 1400.0 261.1591 1300.0 272.1599 1500.0 290.1704 1300.0 303.1698 14000.0 304.1732 1600.0 317.1853 2400.0 330.1808 4900.0 331.2009 21000.0 332.2046 1600.0 344.1963 24000.0 345.1999 1700.0 355.1972 1700.0 373.2072 2400.0 401.2178 1800.0 401.2391 1600.0 443.2644 5000.0 450.238 5900.0 450.2743 1600.0 451.2411 1400.0 478.2694 7000.0 502.265 3400.0 503.2683 1100.0 514.3011 2700.0 520.2756 5500.0 530.2962 1500.0 532.3118 1100.0 533.2748 13000.0 534.2759 3700.0 547.2916 1300.0 548.3085 2300.0 551.2858 2700.0 561.3063 15000.0 562.3096 1300.0 579.3168 1800.0 605.364 1200.0 615.349 5600.0 616.3519 2300.0 632.3432 8000.0 632.3764 2000.0 633.3612 17000.0 634.3636 2500.0 643.3797 1200.0 646.3582 3300.0 647.3746 1200.0 660.374 12000.0 661.3927 5200.0 680.3636 1800.0 731.4119 2700.0 792.4238 1300.0 814.3434 1400.0 822.4733 1900.0 832.4592 4200.0 849.616 1000.0 850.4702 5100.0 851.4716 1100.0 END IONS BEGIN IONS SCANS=275 PEPMASS=852.4288 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 29000.0 120.0808 13000.0 184.0729 1100.0 219.1129 6100.0 231.1126 4300.0 233.1647 1900.0 249.1227 3600.0 261.1591 2600.0 275.1747 1200.0 302.1494 4100.0 303.1699 82000.0 304.1731 6700.0 305.1759 1200.0 315.1334 1600.0 320.1601 2000.0 332.1591 2800.0 344.1961 33000.0 345.1993 2400.0 357.1915 2900.0 358.1752 2300.0 362.2066 2600.0 375.2018 1800.0 378.1805 10000.0 385.186 2900.0 386.1705 2900.0 403.1968 9800.0 415.2333 2000.0 422.2426 3700.0 431.1917 4700.0 445.2434 2200.0 449.2174 7000.0 450.2379 26000.0 451.2422 3700.0 452.2435 1900.0 461.2171 1600.0 463.2692 2800.0 479.2287 1700.0 491.2641 4800.0 502.2649 1200.0 503.2679 1600.0 504.2712 1700.0 516.2805 1400.0 522.2697 2600.0 532.2542 1900.0 533.2748 53000.0 534.2783 8400.0 534.3065 1100.0 535.2812 3900.0 549.4869 2100.0 550.2651 16000.0 551.2859 7500.0 552.2887 1200.0 562.3011 9100.0 616.3521 3300.0 617.355 6200.0 618.3566 1300.0 632.3429 1700.0 633.3463 3700.0 634.322 2800.0 634.3484 6300.0 635.3529 5400.0 645.337 2600.0 652.3464 2900.0 663.3488 34000.0 664.3523 3900.0 680.3431 18000.0 681.3463 2200.0 705.3858 1100.0 751.3792 5000.0 806.4317 1400.0 824.4322 1800.0 834.4156 1200.0 851.6329 2600.0 852.5422 1200.0 852.6345 1400.0 853.4818 2200.0 END IONS BEGIN IONS SCANS=276 PEPMASS=852.4492 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 10000.0 120.0803 2500.0 201.123 2000.0 231.1128 1600.0 261.1601 1100.0 284.1602 1100.0 303.1698 31000.0 304.1729 1200.0 320.1807 1100.0 330.1802 5300.0 344.1962 17000.0 385.2075 1500.0 403.2179 2800.0 413.2169 1200.0 415.2693 1200.0 422.2435 2200.0 431.2278 1500.0 443.2643 4600.0 450.2379 10000.0 507.2602 1100.0 532.2755 2100.0 533.2748 34000.0 534.2776 3500.0 544.3123 1700.0 549.269 1500.0 550.2855 6900.0 551.2853 2300.0 604.3468 2500.0 632.3431 16000.0 633.3443 2100.0 635.3757 1800.0 645.3589 2200.0 646.3597 2500.0 648.3381 1600.0 652.3319 1300.0 663.3163 2000.0 663.3699 18000.0 664.3732 1700.0 715.3806 1100.0 733.3899 2600.0 753.3786 1700.0 816.4272 1200.0 824.4521 2600.0 834.4374 3800.0 852.4489 4900.0 853.4838 2800.0 END IONS BEGIN IONS SCANS=277 PEPMASS=853.4812 CHARGE=1 COLLISION_ENERGY=0.0 61.0778 2200.0 61.0876 2100.0 69.4109 2300.0 71.2432 2500.0 71.9101 2500.0 76.4603 2300.0 76.7483 2500.0 81.5318 2500.0 86.0952 2700.0 86.097 8900.0 86.63 2600.0 91.4116 2800.0 91.5082 6900.0 99.4692 2400.0 117.3025 2600.0 120.0807 14000.0 120.8119 2400.0 129.9551 2500.0 139.4186 2600.0 150.1169 2800.0 153.8636 3000.0 155.7477 2500.0 165.065 2400.0 168.1473 2400.0 184.6749 2900.0 186.7291 2900.0 187.1075 3900.0 201.123 4300.0 228.1865 3100.0 231.1122 3100.0 232.0773 2700.0 249.1231 4800.0 256.7697 3300.0 269.1223 2800.0 272.1599 17000.0 275.1762 2500.0 303.1697 130000.0 304.1729 6200.0 318.852 2900.0 330.1807 16000.0 344.1961 36000.0 348.191 6300.0 362.2068 13000.0 368.99 2700.0 386.8254 2700.0 387.2222 4800.0 389.2528 3500.0 391.2331 6700.0 401.217 4100.0 419.2279 41000.0 422.2426 15000.0 433.2433 3000.0 443.2646 12000.0 446.2993 2700.0 450.2379 170000.0 451.2404 17000.0 461.2748 3900.0 504.3169 7100.0 505.2805 4400.0 507.2595 25000.0 514.3018 27000.0 523.2911 10000.0 530.3958 2800.0 532.3123 39000.0 533.2748 210000.0 534.2756 18000.0 540.379 2800.0 543.9162 3000.0 551.2857 130000.0 552.2885 9500.0 563.7499 3500.0 604.348 7600.0 606.3274 23000.0 629.7153 2900.0 632.3433 340000.0 633.3459 43000.0 647.3752 28000.0 650.3538 61000.0 651.3574 6000.0 703.3796 15000.0 721.3905 45000.0 722.392 7000.0 758.3951 2900.0 823.2452 3000.0 END IONS BEGIN IONS SCANS=278 PEPMASS=853.4815 CHARGE=1 COLLISION_ENERGY=0.0 67.3752 1100.0 70.3933 1100.0 85.9472 1100.0 86.0952 1500.0 86.0969 7600.0 86.238 1200.0 91.5063 1700.0 96.4236 1100.0 100.0239 1200.0 103.1794 1100.0 114.3659 1200.0 120.0807 5500.0 121.3585 1100.0 133.0971 2600.0 153.2938 1000.0 167.3514 1100.0 186.1235 16000.0 194.4328 1000.0 204.1343 23000.0 231.1125 1900.0 234.4671 1100.0 249.1235 2400.0 272.1596 1700.0 285.1917 5300.0 302.4942 1300.0 303.1698 42000.0 303.2024 7700.0 304.1736 4900.0 305.1767 1600.0 320.1964 1200.0 330.1811 6100.0 344.196 11000.0 345.1997 2200.0 346.6691 1200.0 348.1902 1300.0 362.207 4400.0 386.2404 1600.0 401.2194 1200.0 404.2499 14000.0 415.2714 1700.0 419.2281 5200.0 422.2441 3900.0 429.6787 3200.0 436.9584 1300.0 439.5731 1100.0 443.2654 3300.0 447.8384 1300.0 450.2382 50000.0 451.2421 4700.0 452.2451 2600.0 455.9449 1200.0 461.2739 2100.0 462.2362 1300.0 507.2595 8200.0 514.3011 2000.0 517.4037 1500.0 518.7776 1300.0 523.2896 1700.0 532.3123 5800.0 533.2749 67000.0 533.3081 7600.0 534.2762 5700.0 535.2823 2200.0 535.76 1200.0 536.2861 1500.0 551.2858 42000.0 551.3148 6000.0 552.2886 4700.0 600.1404 1200.0 604.3478 3100.0 606.3287 4900.0 607.3315 1300.0 616.3525 1300.0 617.3553 3500.0 618.3586 2900.0 621.3613 2300.0 632.3433 96000.0 633.3467 14000.0 634.3492 2800.0 635.3539 4600.0 646.3912 19000.0 650.3527 15000.0 651.3577 2000.0 664.4013 9900.0 703.3813 1500.0 721.3906 11000.0 777.6523 1200.0 812.6968 1400.0 817.4603 1900.0 835.47 45000.0 836.4749 6500.0 853.4804 250000.0 854.4835 42000.0 END IONS BEGIN IONS SCANS=279 PEPMASS=854.4646 CHARGE=1 COLLISION_ENERGY=0.0 60.3344 4700.0 61.8976 4600.0 62.1555 4200.0 65.0075 4100.0 66.4611 5200.0 69.0029 5600.0 71.0132 4700.0 71.9738 4600.0 72.0812 13000.0 74.4777 4700.0 75.8698 4700.0 81.3321 5100.0 84.1718 6200.0 86.0946 11000.0 86.0967 190000.0 94.2216 4600.0 105.8448 5400.0 120.0807 110000.0 132.4359 6100.0 134.081 19000.0 144.9106 6500.0 150.7611 4800.0 172.0354 5300.0 173.1286 9300.0 178.8891 5500.0 187.1074 95000.0 190.0858 7300.0 201.1234 25000.0 205.1183 60000.0 221.0796 5600.0 221.1284 27000.0 231.1125 48000.0 233.164 8600.0 249.1228 44000.0 252.6472 5300.0 253.3729 6200.0 254.1501 5800.0 261.1591 32000.0 266.4972 5300.0 269.019 8900.0 272.1598 66000.0 276.1699 22000.0 276.3028 5800.0 286.1756 69000.0 302.1865 12000.0 303.1699 1300000.0 304.1732 63000.0 304.1863 13000.0 317.1857 5900.0 318.1807 21000.0 319.1646 9200.0 320.1962 21000.0 330.1806 140000.0 331.1831 6800.0 332.1963 6100.0 334.2112 6300.0 344.1964 520000.0 345.1993 18000.0 348.1907 46000.0 362.2067 100000.0 367.2338 13000.0 372.6675 5200.0 373.2055 6700.0 385.244 9400.0 387.2233 94000.0 389.2545 30000.0 391.2336 20000.0 401.2166 35000.0 405.2335 44000.0 415.2333 7200.0 415.2691 33000.0 417.2487 32000.0 419.228 150000.0 420.2308 9000.0 422.2431 110000.0 423.2462 9700.0 433.2802 51000.0 441.4056 5700.0 443.2645 150000.0 444.0199 6500.0 444.2675 10000.0 450.238 1200000.0 451.2411 110000.0 461.2751 90000.0 469.2791 7400.0 486.3063 9200.0 488.2854 11000.0 504.3165 21000.0 505.2794 25000.0 507.2594 250000.0 508.2622 17000.0 514.3013 67000.0 515.2648 10000.0 516.2803 7300.0 523.2908 71000.0 532.3121 97000.0 533.275 2100000.0 534.2766 200000.0 535.2943 5800.0 547.2895 6100.0 549.27 8100.0 551.2854 730000.0 552.2864 49000.0 552.3021 74000.0 553.3052 8700.0 556.6088 6900.0 578.332 18000.0 591.8323 6100.0 601.8925 5700.0 604.3478 55000.0 605.3493 5800.0 606.3276 72000.0 622.3575 10000.0 631.525 5800.0 632.3431 1800000.0 633.3465 240000.0 646.3586 24000.0 647.3748 74000.0 648.3366 14000.0 648.3795 6300.0 650.3531 130000.0 651.3563 18000.0 665.3858 250000.0 666.3894 31000.0 679.1237 7700.0 703.3796 45000.0 704.3851 9800.0 721.3901 76000.0 722.3935 15000.0 762.4132 7300.0 818.4427 11000.0 836.4537 130000.0 837.4565 22000.0 838.4304 9300.0 860.5908 8500.0 END IONS BEGIN IONS SCANS=280 PEPMASS=855.9294 CHARGE=1 COLLISION_ENERGY=0.0 61.5714 1300.0 63.2949 1200.0 65.8455 1200.0 69.3498 1200.0 69.4778 1200.0 70.2169 1300.0 74.5077 1200.0 75.1543 1200.0 77.7067 1400.0 80.2289 1200.0 81.6999 1200.0 82.6451 1300.0 84.8155 1200.0 86.0967 21000.0 86.2322 1500.0 87.0999 3000.0 93.6028 1200.0 115.4761 1300.0 120.0809 2100.0 120.9106 1300.0 133.7542 1600.0 137.0163 1400.0 137.189 1600.0 148.4136 1600.0 150.6178 1200.0 161.9192 1600.0 171.1123 1500.0 185.1282 2100.0 185.9574 1400.0 187.672 1400.0 191.1021 2100.0 203.4097 1300.0 224.4823 1300.0 253.9772 1300.0 262.1632 1600.0 271.1407 1300.0 286.1754 2900.0 290.1704 1700.0 291.9215 1700.0 303.1696 27000.0 304.1734 16000.0 304.1826 1800.0 304.1859 1700.0 305.1755 4100.0 317.1854 20000.0 318.189 11000.0 319.192 2400.0 321.6027 1700.0 337.8836 1400.0 338.5044 1300.0 344.1964 25000.0 345.1996 18000.0 346.2025 6100.0 351.6616 2200.0 364.1781 6300.0 364.6801 1600.0 366.1628 2100.0 374.211 1900.0 386.1602 1400.0 387.1799 14000.0 387.2229 2900.0 387.6816 2400.0 388.1826 1600.0 388.2264 2800.0 406.7039 5800.0 421.3463 1600.0 428.6998 1600.0 437.7041 180000.0 438.2057 96000.0 438.7078 15000.0 444.2692 1900.0 450.2386 10000.0 451.2415 9700.0 452.2439 6000.0 458.2837 2000.0 464.2547 6600.0 465.2569 8500.0 466.2601 3700.0 502.2643 1600.0 516.2811 1700.0 520.2757 3600.0 521.2794 7700.0 522.2822 4400.0 533.2749 17000.0 534.2768 24000.0 534.3127 1400.0 535.2786 19000.0 536.2993 6900.0 547.2908 9200.0 548.2926 12000.0 549.296 14000.0 551.2856 3600.0 552.2896 4300.0 553.2916 2200.0 568.8503 1500.0 601.8566 1700.0 615.3496 1600.0 616.3512 2300.0 618.3633 2200.0 619.3669 2000.0 620.0493 1400.0 620.3686 2400.0 631.3715 2900.0 633.3593 9500.0 634.3632 18000.0 635.3647 21000.0 636.369 4400.0 646.359 12000.0 647.3596 25000.0 648.3654 38000.0 649.381 20000.0 650.3826 1900.0 652.3358 2400.0 653.3359 1500.0 654.3385 1600.0 665.3727 2100.0 666.3761 5200.0 701.3326 3900.0 702.3359 1600.0 717.3964 2400.0 718.3977 4600.0 719.4011 7000.0 725.3721 1800.0 736.408 2800.0 737.4116 5600.0 747.6956 1600.0 767.4252 2000.0 810.4642 8900.0 819.4465 1900.0 820.4502 15000.0 821.4535 2300.0 830.374 36000.0 831.3773 19000.0 832.3817 4200.0 836.4532 5100.0 837.4561 7400.0 838.4597 42000.0 839.4633 8900.0 855.4274 28000.0 855.9297 48000.0 856.4304 20000.0 856.9338 4700.0 874.3992 12000.0 874.5632 1500.0 875.4047 5500.0 END IONS BEGIN IONS SCANS=281 PEPMASS=856.3915 CHARGE=1 COLLISION_ENERGY=0.0 91.5063 1500.0 337.1212 25000.0 338.1245 1400.0 378.1478 5800.0 456.1948 1700.0 484.1895 5500.0 503.2274 1300.0 520.2761 2500.0 567.2263 20000.0 568.2282 2300.0 585.2367 2700.0 638.2996 1500.0 666.2949 10000.0 667.3124 6700.0 686.2827 1500.0 737.3329 1800.0 792.3907 3000.0 828.3933 2700.0 838.3802 3000.0 856.3897 6800.0 857.3918 1500.0 END IONS BEGIN IONS SCANS=282 PEPMASS=856.391 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1000.0 273.1226 1800.0 295.1104 1300.0 303.1697 2200.0 330.1807 1400.0 337.1208 44000.0 338.1247 1900.0 373.2081 1300.0 378.1472 12000.0 456.195 1800.0 466.232 1200.0 477.2148 2100.0 484.189 7300.0 502.2644 1400.0 503.2279 2200.0 520.2754 4900.0 541.2108 1400.0 549.2698 2100.0 567.226 37000.0 568.2289 4300.0 585.237 3100.0 602.2956 1200.0 603.3122 2400.0 638.2996 3200.0 648.337 1400.0 666.2941 21000.0 667.3117 15000.0 668.313 2100.0 684.3035 1000.0 686.2855 1900.0 737.3316 4300.0 757.3188 1600.0 774.3796 1800.0 785.3518 2000.0 792.3918 3900.0 828.3944 4900.0 829.3956 1100.0 838.3784 4800.0 856.3889 11000.0 857.3916 2100.0 END IONS BEGIN IONS SCANS=283 PEPMASS=856.444 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3600.0 120.0807 2400.0 191.1026 1200.0 231.113 1500.0 249.1229 1300.0 272.1596 1900.0 303.1701 1500.0 319.1646 23000.0 320.1685 1100.0 330.1805 3100.0 344.1958 4500.0 373.2076 1200.0 391.2177 2000.0 419.2273 2100.0 438.2381 1300.0 450.2372 1400.0 466.2328 20000.0 467.2367 2800.0 520.2766 1100.0 523.254 5100.0 533.275 1900.0 538.2858 2400.0 539.2844 1800.0 549.2696 43000.0 550.2734 5500.0 567.2802 14000.0 568.2836 1400.0 622.3232 1800.0 632.3429 1700.0 648.338 39000.0 649.3407 4800.0 651.3699 2500.0 666.3494 2500.0 719.3757 1300.0 737.3836 1300.0 838.4336 1900.0 END IONS BEGIN IONS SCANS=284 PEPMASS=858.4362 CHARGE=1 COLLISION_ENERGY=0.0 60.6875 4200.0 62.9161 4200.0 63.4013 4000.0 67.6784 4700.0 73.6198 4500.0 74.6257 4300.0 75.5997 4800.0 81.6576 5500.0 82.273 4300.0 82.5728 4300.0 85.7832 5400.0 86.097 5700.0 86.6286 5200.0 87.3101 3900.0 88.366 4300.0 90.5324 5300.0 94.923 4900.0 95.4176 6500.0 96.1864 5500.0 96.6402 4400.0 110.1279 5500.0 118.674 5400.0 129.6265 4500.0 134.8945 4700.0 139.699 4700.0 163.3466 4800.0 187.7251 5600.0 192.7917 5200.0 208.3225 5500.0 218.0411 5000.0 219.2634 5800.0 237.4136 5700.0 281.9152 5100.0 368.2191 5600.0 368.7211 4900.0 374.4735 5500.0 376.267 5000.0 381.1805 5700.0 395.0481 4900.0 427.096 5100.0 442.2536 5100.0 592.0427 5800.0 711.3823 6800.0 739.3787 6300.0 757.3875 17000.0 796.436 9600.0 814.4077 8100.0 840.4261 17000.0 857.431 8100.0 857.981 6800.0 858.4357 3800000.0 859.4388 590000.0 END IONS BEGIN IONS SCANS=285 PEPMASS=858.4753 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 13000.0 120.0775 1000.0 120.0807 7300.0 138.0912 1200.0 201.1234 1100.0 209.1284 9200.0 221.1281 1400.0 231.1124 3900.0 233.1643 1200.0 249.123 3300.0 261.1597 2700.0 272.1597 3300.0 275.1751 1100.0 276.17 1600.0 303.1699 75000.0 304.1724 3000.0 308.1964 1900.0 313.2734 1800.0 318.1806 1800.0 320.1956 2200.0 330.1805 10000.0 344.1963 35000.0 345.2 2000.0 348.1917 2900.0 353.2179 2700.0 362.2069 5900.0 367.234 1100.0 389.2541 1500.0 391.2325 1500.0 401.217 1400.0 409.2438 3300.0 415.2694 1900.0 419.228 7500.0 422.2427 5500.0 433.2799 2500.0 443.2644 11000.0 444.2678 1000.0 448.715 4600.0 450.2381 65000.0 450.2707 1700.0 451.2416 5100.0 461.2746 4400.0 504.3166 1900.0 505.28 1600.0 507.2591 16000.0 514.3008 4000.0 523.2906 3500.0 532.3122 5500.0 533.275 130000.0 534.2783 13000.0 551.2853 38000.0 552.2889 4600.0 556.3116 5800.0 604.3491 2900.0 606.328 4200.0 632.3431 98000.0 633.3465 13000.0 650.3531 6500.0 651.3558 1300.0 669.3958 11000.0 670.3997 1400.0 703.3789 2400.0 721.3897 3200.0 814.4088 1400.0 840.463 1600.0 857.4534 1600.0 858.3749 11000.0 858.4354 69000.0 859.3781 2700.0 859.4393 9500.0 END IONS BEGIN IONS SCANS=286 PEPMASS=859.4222 CHARGE=2 COLLISION_ENERGY=0.0 120.0805 13000.0 121.0834 1500.0 121.8778 1600.0 122.5082 1600.0 124.3559 1700.0 132.9204 1500.0 149.4042 1900.0 158.8232 2200.0 160.2713 2300.0 161.8762 2000.0 164.2453 1800.0 171.7618 1800.0 173.0917 2300.0 173.1279 5300.0 183.162 1900.0 191.102 4600.0 199.9496 2300.0 201.1231 7100.0 216.8246 2200.0 220.7098 2200.0 221.128 4200.0 233.164 2900.0 234.5616 2300.0 243.2599 2500.0 249.1227 3800.0 252.6601 2400.0 257.168 2500.0 261.1592 4700.0 266.169 2900.0 269.9125 3100.0 271.0599 2300.0 272.16 12000.0 273.164 3700.0 274.6137 2400.0 285.261 2400.0 290.1701 2600.0 293.4436 2400.0 303.17 150000.0 304.1732 28000.0 305.1764 4000.0 312.8865 2800.0 318.2532 2500.0 320.1958 5000.0 321.0673 2500.0 330.1805 19000.0 331.1845 3500.0 344.1963 61000.0 345.1994 11000.0 348.1911 9800.0 349.1937 3800.0 353.6605 2800.0 362.2069 20000.0 363.2106 4600.0 373.2082 15000.0 374.2106 2500.0 391.2184 31000.0 391.2316 3900.0 392.2222 7300.0 408.701 4100.0 417.2488 3500.0 419.2284 33000.0 420.2317 13000.0 422.2435 16000.0 423.2466 6400.0 433.28 4000.0 439.7025 43000.0 440.2043 18000.0 443.2646 28000.0 444.2679 8700.0 449.473 3000.0 449.5701 3100.0 449.8745 3200.0 450.2383 210000.0 451.2418 85000.0 452.244 13000.0 461.2752 23000.0 462.278 3200.0 507.2601 40000.0 508.2629 19000.0 514.302 9100.0 515.3055 7300.0 520.2764 14000.0 521.2792 3500.0 523.2916 10000.0 524.2958 2800.0 532.3132 32000.0 533.2755 290000.0 533.3154 16000.0 534.2787 150000.0 535.2814 22000.0 538.2864 52000.0 539.2896 18000.0 540.2933 4400.0 551.2861 160000.0 552.2893 80000.0 553.2928 19000.0 555.5385 3500.0 583.712 3800.0 604.3489 7400.0 606.3292 26000.0 607.3319 20000.0 608.3338 4500.0 615.7224 3200.0 622.359 8800.0 623.3594 3500.0 632.3439 580000.0 633.347 420000.0 634.3494 120000.0 650.3544 97000.0 651.3696 130000.0 652.3754 72000.0 653.3762 19000.0 661.3024 6600.0 687.3168 7200.0 703.3823 4900.0 704.3846 6000.0 721.3915 54000.0 722.394 46000.0 723.3975 15000.0 746.3538 10000.0 772.3333 7800.0 772.3704 7000.0 777.3499 7700.0 790.3443 290000.0 791.3471 92000.0 792.3514 9000.0 795.1447 3500.0 805.4337 3700.0 816.3597 62000.0 817.364 23000.0 822.4389 40000.0 823.4429 35000.0 824.4451 13000.0 834.3707 910000.0 835.3737 300000.0 836.3773 29000.0 840.448 2900.0 855.3227 3500.0 860.3851 19000.0 861.3883 9000.0 878.397 710000.0 879.3998 280000.0 880.4017 34000.0 895.431 3000.0 898.6354 3500.0 1108.771 4300.0 1130.7039 3400.0 1188.4235 4100.0 1197.439 3700.0 1369.9613 4800.0 1487.4039 4000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=860.3914 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 2400.0 644.2739 1100.0 656.4387 1000.0 687.316 6000.0 715.3104 1500.0 731.3542 4600.0 759.3458 12000.0 772.3688 20000.0 773.3695 1900.0 796.3635 1300.0 798.3507 6700.0 816.3592 64000.0 816.4019 2500.0 817.3615 11000.0 842.3746 11000.0 843.3769 1000.0 859.3904 2600.0 860.3928 740000.0 861.3959 110000.0 END IONS BEGIN IONS SCANS=288 PEPMASS=861.4498 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 11000.0 130.0651 1600.0 159.0916 37000.0 160.095 1200.0 171.1129 1400.0 253.0969 1400.0 254.1494 1700.0 266.1495 2900.0 270.1231 7700.0 272.1594 2300.0 272.1749 1100.0 290.1705 1900.0 300.17 3900.0 303.1696 26000.0 304.1732 1000.0 345.2126 1400.0 355.1973 2100.0 369.1918 6700.0 373.2076 3600.0 383.2069 15000.0 401.2025 1700.0 401.2173 1100.0 440.2281 1900.0 443.2282 2200.0 455.228 11000.0 456.2307 1500.0 461.2537 4700.0 482.2753 4500.0 489.249 13000.0 490.2524 1400.0 531.2915 1400.0 541.276 2900.0 542.2601 2000.0 553.3117 2100.0 559.2866 15000.0 560.29 1500.0 571.3232 1100.0 572.2855 28000.0 573.2864 3900.0 590.2955 3200.0 643.3597 2500.0 644.3746 1700.0 654.3598 3300.0 671.354 19000.0 672.3709 26000.0 673.3734 2700.0 689.3636 1300.0 691.3428 1700.0 742.3902 4600.0 762.3817 2200.0 790.4116 1700.0 833.4545 2100.0 843.4384 4500.0 860.4127 2600.0 860.6126 1100.0 861.414 3000.0 861.4482 8200.0 END IONS BEGIN IONS SCANS=289 PEPMASS=864.4872 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2300.0 86.0968 43000.0 120.0806 11000.0 171.1127 4000.0 173.0918 2500.0 183.1123 1700.0 185.1279 1800.0 190.1217 1000.0 191.1026 1600.0 204.1379 1700.0 218.1172 2400.0 231.1126 6200.0 232.133 18000.0 233.1643 5100.0 254.1484 1100.0 261.1589 7900.0 272.1598 8100.0 286.1758 1800.0 290.17 5300.0 302.1858 2300.0 309.1915 1600.0 327.2021 1700.0 328.186 2100.0 330.1805 14000.0 331.1845 1400.0 331.2008 22000.0 332.2045 1300.0 344.1962 120000.0 345.1994 5900.0 345.2166 110000.0 346.22 7600.0 355.1969 5300.0 362.2061 4000.0 369.2125 1200.0 373.2072 12000.0 373.2198 1100.0 373.224 1100.0 387.2234 1600.0 401.2018 2800.0 401.2176 6600.0 402.2208 1000.0 415.2325 2000.0 415.2697 7200.0 419.228 3000.0 421.2082 1100.0 433.2806 1400.0 443.2643 20000.0 444.2673 1400.0 450.271 1600.0 457.2798 3100.0 461.274 1600.0 463.2538 2000.0 464.2898 3700.0 468.2798 1300.0 474.2696 1100.0 478.2691 7500.0 479.2721 1200.0 484.2535 1200.0 486.3065 1800.0 492.2843 34000.0 493.288 4100.0 502.2649 8500.0 514.3018 11000.0 516.2808 2100.0 520.2758 29000.0 521.2787 3300.0 528.3177 2400.0 532.312 5400.0 533.274 1700.0 534.2911 8500.0 535.2933 2100.0 548.2702 2500.0 549.3073 1500.0 557.3126 1000.0 561.3059 21000.0 562.3085 2100.0 565.3366 1100.0 575.3217 79000.0 576.3253 11000.0 579.3165 1300.0 587.353 1200.0 588.3382 1100.0 593.3315 9900.0 597.3395 2300.0 605.365 8900.0 606.3685 1500.0 615.348 16000.0 616.3525 1300.0 619.3806 1900.0 629.3641 3200.0 632.3431 1500.0 633.3594 100000.0 634.362 14000.0 646.3955 8800.0 647.3748 20000.0 647.3983 1000.0 648.3765 4000.0 660.3737 1200.0 674.3898 67000.0 675.3928 13000.0 680.3642 1100.0 691.4178 1200.0 692.3995 3500.0 694.3793 6400.0 745.4268 13000.0 746.4304 1900.0 751.4 1500.0 763.4383 4100.0 764.4407 1000.0 765.4164 4700.0 765.4505 1500.0 793.448 4900.0 819.4634 1000.0 820.4681 1300.0 836.4901 8800.0 837.4899 1300.0 846.4741 14000.0 847.4777 2600.0 864.4861 20000.0 865.4199 1100.0 865.4898 4000.0 END IONS BEGIN IONS SCANS=290 PEPMASS=865.4444 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 8700.0 146.0599 1900.0 274.1179 5700.0 303.1697 11000.0 304.1649 7000.0 355.1962 1100.0 369.1912 1300.0 373.1864 3500.0 373.2079 1400.0 387.2022 8500.0 427.1971 1100.0 444.2231 1400.0 468.2596 1200.0 486.2699 1500.0 493.2437 2400.0 528.243 1100.0 545.2715 2300.0 546.2544 1500.0 557.3085 1400.0 558.2701 1600.0 563.2812 8900.0 564.2849 1300.0 576.2806 22000.0 577.2822 2400.0 594.2911 1700.0 647.3538 2100.0 657.3387 2000.0 658.3557 1900.0 675.3487 13000.0 676.3658 19000.0 677.3673 2700.0 746.3868 3500.0 766.3752 1400.0 837.4478 2000.0 847.4327 4000.0 865.4442 9400.0 866.446 1500.0 END IONS BEGIN IONS SCANS=291 PEPMASS=865.4813 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 91.5081 3100.0 120.0808 6700.0 162.0917 1200.0 187.1077 1600.0 190.086 1400.0 231.1128 2200.0 261.1595 2300.0 270.1442 1100.0 288.1542 1100.0 301.1549 1500.0 303.1698 70000.0 304.1743 2200.0 326.1705 1300.0 330.1806 14000.0 332.1596 1200.0 343.1977 1500.0 344.1962 22000.0 345.1994 1500.0 348.191 1900.0 353.1807 4100.0 354.1655 4300.0 362.2065 1300.0 371.1917 6800.0 399.203 1200.0 415.2702 1400.0 417.2122 6800.0 422.2437 5900.0 443.2649 10000.0 444.2665 1000.0 445.2437 2000.0 448.2219 1900.0 450.2381 49000.0 451.2417 4400.0 461.2755 1500.0 466.2334 2000.0 482.239 1100.0 490.2657 1200.0 500.2496 6700.0 502.2652 7600.0 507.2595 2700.0 512.2863 1500.0 518.2599 41000.0 519.2635 3300.0 530.2952 5900.0 531.259 3000.0 533.2748 81000.0 534.2777 8800.0 549.2699 2300.0 551.2856 14000.0 552.2879 1700.0 603.3495 2400.0 604.3508 1700.0 606.3265 2700.0 613.3337 12000.0 614.3371 1900.0 630.3282 3400.0 631.3439 93000.0 632.3434 120000.0 633.3457 15000.0 634.3218 4900.0 648.3387 3500.0 650.3539 6500.0 701.3635 3300.0 719.3749 11000.0 720.3742 1200.0 721.3536 4500.0 733.39 1300.0 775.4007 1000.0 792.427 4200.0 802.4128 16000.0 803.4149 2700.0 820.4227 21000.0 821.4275 4000.0 864.4027 1400.0 865.4022 1200.0 END IONS BEGIN IONS SCANS=292 PEPMASS=865.4821 CHARGE=1 COLLISION_ENERGY=0.0 74.0966 1900.0 86.0965 5300.0 120.0804 3100.0 231.1124 1400.0 303.1695 3100.0 319.1647 31000.0 320.1682 2300.0 330.1805 4500.0 338.1699 1300.0 344.1962 5500.0 345.217 2200.0 355.1968 5300.0 401.2178 2800.0 438.2373 2100.0 443.2648 2000.0 450.2377 1600.0 466.2329 22000.0 467.2369 2000.0 492.2845 1600.0 502.265 28000.0 503.2693 1800.0 514.3018 2700.0 518.2606 1500.0 523.2538 1800.0 533.2745 2500.0 549.2696 40000.0 550.2729 4600.0 567.2802 9000.0 575.3217 2100.0 576.3238 1300.0 615.3489 15000.0 616.3524 1800.0 620.3434 1100.0 622.3226 1500.0 631.3437 2200.0 632.3434 3100.0 648.338 60000.0 649.3411 8000.0 650.3177 3100.0 666.3488 4200.0 674.39 2600.0 675.3937 1600.0 719.3757 6600.0 749.3878 1200.0 784.3331 2500.0 785.3361 1700.0 792.4271 2100.0 802.4113 2000.0 820.4222 8300.0 821.4258 1700.0 828.3584 1400.0 847.6021 1200.0 865.4207 34000.0 865.6134 1300.0 866.4235 7700.0 END IONS BEGIN IONS SCANS=293 PEPMASS=865.4814 CHARGE=1 COLLISION_ENERGY=0.0 74.0966 1900.0 86.0965 5300.0 120.0804 3100.0 231.1124 1400.0 303.1695 3100.0 319.1647 31000.0 320.1682 2300.0 330.1805 4500.0 338.1699 1300.0 344.1962 5500.0 345.217 2200.0 355.1968 5300.0 401.2178 2800.0 438.2373 2100.0 443.2648 2000.0 450.2377 1600.0 466.2329 22000.0 467.2369 2000.0 492.2845 1600.0 502.265 28000.0 503.2693 1800.0 514.3018 2700.0 518.2606 1500.0 523.2538 1800.0 533.2745 2500.0 549.2696 40000.0 550.2729 4600.0 567.2802 9000.0 575.3217 2100.0 576.3238 1300.0 615.3489 15000.0 616.3524 1800.0 620.3434 1100.0 622.3226 1500.0 631.3437 2200.0 632.3434 3100.0 648.338 60000.0 649.3411 8000.0 650.3177 3100.0 666.3488 4200.0 674.39 2600.0 675.3937 1600.0 719.3757 6600.0 749.3878 1200.0 784.3331 2500.0 785.3361 1700.0 792.4271 2100.0 802.4113 2000.0 820.4222 8300.0 821.4258 1700.0 828.3584 1400.0 847.6021 1200.0 865.4207 34000.0 865.6134 1300.0 866.4235 7700.0 END IONS BEGIN IONS SCANS=294 PEPMASS=867.4062 CHARGE=2 COLLISION_ENERGY=0.0 120.0805 2600.0 173.0917 1100.0 191.1021 1500.0 201.1233 1100.0 231.1118 1800.0 249.1228 1200.0 261.1594 1600.0 272.1599 3200.0 303.1699 36000.0 304.1735 6200.0 305.1759 1300.0 320.1965 1300.0 330.1809 6100.0 344.1963 16000.0 345.1996 2600.0 348.1908 1900.0 362.2068 4600.0 373.2076 3400.0 389.2541 1200.0 391.2178 4500.0 415.2698 1100.0 419.2285 7100.0 420.2328 1600.0 422.2429 4400.0 433.2806 2200.0 439.7027 1200.0 443.2645 6300.0 444.2682 1600.0 450.2384 50000.0 451.2417 15000.0 461.2762 5100.0 462.2778 1300.0 505.2806 1100.0 507.2594 8100.0 508.2634 2000.0 512.1588 1300.0 514.3021 2700.0 520.276 2200.0 523.2917 2100.0 524.2941 1200.0 532.312 6300.0 533.2755 81000.0 534.1916 1400.0 534.2786 22000.0 535.1991 1400.0 535.2808 3000.0 538.2864 13000.0 539.2901 3000.0 551.2861 44000.0 552.2897 11000.0 553.2939 1500.0 555.2131 1100.0 578.2057 2600.0 578.3333 1100.0 604.3486 1300.0 606.3278 7300.0 607.3311 2400.0 632.2553 1900.0 632.3439 150000.0 633.2584 1300.0 633.3463 46000.0 634.3491 7800.0 650.3546 26000.0 651.3729 28000.0 652.3748 9000.0 653.3784 1400.0 660.2479 3100.0 676.2778 1300.0 677.2739 11000.0 678.2764 3600.0 696.2811 1000.0 703.29 3200.0 703.381 2200.0 704.296 1500.0 718.2651 3600.0 721.3918 13000.0 722.3939 5100.0 731.2838 3100.0 744.2801 1300.0 744.3166 1200.0 745.2825 1100.0 747.2988 2200.0 748.2873 1100.0 749.295 58000.0 750.2983 26000.0 751.298 3400.0 761.3195 12000.0 762.2901 1900.0 762.3242 6100.0 763.2925 1800.0 763.3258 1700.0 775.3124 3800.0 776.3142 1600.0 787.2993 3200.0 787.3348 11000.0 788.3055 13000.0 788.3392 9300.0 789.3099 3500.0 793.3219 23000.0 794.325 11000.0 795.3289 2500.0 804.3203 2800.0 805.3092 43000.0 805.3453 2700.0 806.3154 55000.0 807.2802 1500.0 807.3187 15000.0 808.3171 4300.0 819.3274 2000.0 820.3265 1200.0 822.4391 11000.0 823.4434 4600.0 830.338 1100.0 831.3254 13000.0 831.3633 1900.0 832.3309 21000.0 832.3687 1600.0 833.3356 5500.0 834.3713 1700.0 837.2972 1500.0 838.3038 1500.0 847.3434 1300.0 848.3505 3600.0 849.3366 48000.0 850.3425 88000.0 851.3455 24000.0 852.3444 6800.0 858.3468 1700.0 866.4429 57000.0 867.4458 16000.0 875.3516 4800.0 876.3588 23000.0 877.3617 8100.0 892.3742 2500.0 893.3636 17000.0 894.3688 52000.0 895.3719 18000.0 896.3744 3800.0 1012.398 1100.0 1369.8292 1100.0 END IONS BEGIN IONS SCANS=295 PEPMASS=867.4964 CHARGE=1 COLLISION_ENERGY=0.0 86.0951 1200.0 86.0967 7100.0 91.5082 1700.0 120.0807 7000.0 201.123 2000.0 221.1281 1300.0 249.1227 2500.0 272.16 8600.0 303.1698 60000.0 304.1729 1800.0 320.1962 1000.0 330.1805 7100.0 334.2118 1100.0 344.1961 15000.0 348.1909 4500.0 355.1964 1300.0 362.2068 6100.0 365.1524 5100.0 366.1562 1800.0 367.2331 1500.0 373.2073 6400.0 374.2082 1100.0 378.1472 2000.0 385.2439 1100.0 389.2535 1500.0 391.2332 2600.0 401.2175 2500.0 415.2693 1300.0 417.2485 1900.0 419.2279 26000.0 420.2314 2600.0 422.2432 8100.0 433.2804 2300.0 443.2641 6700.0 450.2379 96000.0 451.2415 9400.0 461.2749 5100.0 502.2657 2700.0 503.2688 1100.0 504.3174 3200.0 505.2802 2000.0 507.2591 12000.0 508.2639 1800.0 512.2195 1500.0 514.3016 11000.0 520.2757 13000.0 521.2784 1300.0 523.291 3600.0 532.3121 24000.0 533.275 110000.0 534.278 12000.0 551.2855 79000.0 552.2886 8100.0 595.2575 3000.0 596.2613 1800.0 604.348 2700.0 606.3279 13000.0 607.332 1400.0 615.35 2700.0 622.358 1900.0 632.3431 260000.0 633.3484 19000.0 633.3583 25000.0 634.3643 4000.0 649.3 2500.0 650.3536 46000.0 651.3571 6300.0 669.3967 3200.0 677.3638 1900.0 694.3241 1100.0 695.3286 1200.0 703.3799 7700.0 704.3826 1300.0 721.3907 38000.0 722.3946 6000.0 752.4689 2300.0 803.3724 1300.0 804.4283 2300.0 805.3199 1400.0 822.3761 14000.0 823.3351 1300.0 823.3782 15000.0 824.3827 1500.0 848.3432 2300.0 849.3452 3900.0 860.3847 1800.0 866.3594 1200.0 866.4019 5900.0 867.3577 2400.0 867.4051 5900.0 END IONS BEGIN IONS SCANS=296 PEPMASS=872.4524 CHARGE=1 COLLISION_ENERGY=0.0 828.4256 1500.0 854.4413 1300.0 872.4512 330000.0 873.4544 48000.0 END IONS BEGIN IONS SCANS=297 PEPMASS=874.4099 CHARGE=1 COLLISION_ENERGY=0.0 62.357 1100.0 91.5082 1600.0 125.5798 1100.0 131.108 1200.0 131.7178 1000.0 148.5063 1100.0 159.0961 1200.0 169.0569 1000.0 181.5045 1100.0 184.6353 1000.0 200.9919 1000.0 202.1311 1100.0 204.9089 1100.0 394.492 1100.0 445.1703 1100.0 508.0862 1000.0 555.7405 1200.0 561.2155 2500.0 563.0255 1100.0 641.0728 1200.0 650.1368 1300.0 666.4711 1200.0 687.3172 4200.0 700.0818 1200.0 707.8121 1200.0 740.4369 1200.0 743.2886 1200.0 743.9399 1100.0 798.3442 1400.0 800.3436 2400.0 826.3233 1500.0 830.3826 5600.0 842.3996 1100.0 843.3252 2800.0 844.3304 5700.0 856.3984 1200.0 859.3892 1300.0 873.3354 3000.0 873.4063 1300.0 874.4098 990000.0 875.4128 160000.0 END IONS BEGIN IONS SCANS=298 PEPMASS=876.4463 CHARGE=1 COLLISION_ENERGY=0.0 574.2833 1300.0 777.3477 2000.0 778.3521 3100.0 788.3422 1100.0 832.4207 8700.0 858.437 4600.0 875.4349 2200.0 875.746 1000.0 876.4459 1700000.0 877.1295 1000.0 877.449 270000.0 END IONS BEGIN IONS SCANS=299 PEPMASS=878.5753 CHARGE=1 COLLISION_ENERGY=0.0 61.543 1100.0 63.9812 1400.0 67.0548 1000.0 70.5866 1000.0 71.0861 1200.0 74.0969 7400.0 77.8064 1100.0 79.0548 1500.0 81.0704 3300.0 83.086 1400.0 86.2068 1000.0 89.9407 1200.0 89.9421 1200.0 91.5062 4300.0 95.0858 1900.0 106.0654 3200.0 109.1014 2500.0 111.1173 1300.0 112.3001 1100.0 122.0602 1800.0 123.1169 2000.0 134.0601 1700.0 141.8587 1100.0 152.0705 22000.0 170.0813 2400.0 184.0729 3000.0 188.0915 21000.0 192.9461 1100.0 202.9493 1000.0 206.1021 12000.0 207.7462 1100.0 220.0367 68000.0 221.0408 1400.0 239.237 7700.0 245.2259 1600.0 250.047 16000.0 263.2367 6000.0 268.0576 31000.0 286.0679 42000.0 287.0712 1300.0 304.0786 50000.0 313.273 1500.0 319.2632 3000.0 325.8973 1200.0 337.2729 2400.0 365.2044 1200.0 394.4719 1200.0 420.6795 1300.0 449.1236 1400.0 485.1754 1200.0 508.9092 1300.0 516.3301 1400.0 522.691 1200.0 532.3036 6900.0 538.2927 3200.0 562.3101 1800.0 575.5026 1200000.0 576.5056 150000.0 589.6591 1200.0 600.8788 1200.0 615.3485 1900.0 646.2037 1100.0 660.3738 1600.0 778.7426 1300.0 794.5318 57000.0 795.5348 10000.0 821.4329 1300.0 824.5439 5400.0 842.5522 13000.0 843.5581 2300.0 859.6386 2100.0 860.5637 5000.0 860.6427 1700.0 861.5671 1400.0 861.6523 4100.0 877.652 2000.0 878.4631 1600.0 878.5755 5000.0 878.6835 1800.0 879.6653 2000.0 END IONS BEGIN IONS SCANS=300 PEPMASS=880.4439 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1800.0 120.0806 1700.0 272.1599 4100.0 303.17 16000.0 330.1803 1500.0 344.1965 3600.0 348.1915 1100.0 362.2065 1800.0 401.2174 1400.0 419.228 9100.0 422.2431 1600.0 431.2132 1700.0 443.2648 1200.0 450.238 20000.0 451.2409 1500.0 504.3168 2500.0 507.2584 2100.0 514.3015 4900.0 532.3118 8400.0 533.275 17000.0 534.2776 1600.0 551.2857 14000.0 552.2887 1600.0 576.5053 2200.0 578.2819 4900.0 604.3472 1000.0 606.3276 1700.0 632.3433 32000.0 633.3474 4300.0 650.3538 6200.0 691.3646 13000.0 692.3687 2200.0 703.3804 2800.0 721.3916 5200.0 722.3929 1000.0 798.3159 2000.0 799.3174 1100.0 842.3401 1500.0 843.3453 1100.0 END IONS BEGIN IONS SCANS=301 PEPMASS=880.4444 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1800.0 120.0806 1700.0 272.1599 4100.0 303.17 16000.0 330.1803 1500.0 344.1965 3600.0 348.1915 1100.0 362.2065 1800.0 401.2174 1400.0 419.228 9100.0 422.2431 1600.0 431.2132 1700.0 443.2648 1200.0 450.238 20000.0 451.2409 1500.0 504.3168 2500.0 507.2584 2100.0 514.3015 4900.0 532.3118 8400.0 533.275 17000.0 534.2776 1600.0 551.2857 14000.0 552.2887 1600.0 576.5053 2200.0 578.2819 4900.0 604.3472 1000.0 606.3276 1700.0 632.3433 32000.0 633.3474 4300.0 650.3538 6200.0 691.3646 13000.0 692.3687 2200.0 703.3804 2800.0 721.3916 5200.0 722.3929 1000.0 798.3159 2000.0 799.3174 1100.0 842.3401 1500.0 843.3453 1100.0 END IONS BEGIN IONS SCANS=302 PEPMASS=880.4442 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2300.0 120.0809 1700.0 272.16 4000.0 303.1699 16000.0 330.1808 1400.0 344.1962 3300.0 348.1915 1600.0 362.2068 1600.0 401.2179 1200.0 419.2283 8700.0 422.2421 1800.0 431.2125 1900.0 443.2646 1300.0 450.2379 19000.0 451.2417 1900.0 504.3168 1500.0 507.26 3200.0 514.301 6000.0 532.3121 8800.0 533.2745 17000.0 533.3151 1300.0 534.2779 1700.0 551.2856 13000.0 552.2885 1600.0 575.5024 1000.0 576.5056 3700.0 577.5089 1300.0 578.2813 4600.0 606.3279 1400.0 632.3432 32000.0 633.3472 4300.0 650.3533 5900.0 651.3556 1100.0 691.3649 14000.0 692.3676 2400.0 703.3801 3200.0 721.3912 4400.0 760.3994 12000.0 761.4028 2300.0 879.4069 1200.0 END IONS BEGIN IONS SCANS=303 PEPMASS=889.4807 CHARGE=1 COLLISION_ENERGY=0.0 63.354 1200.0 64.4993 1200.0 64.9385 1400.0 68.0147 1300.0 70.0656 13000.0 72.9291 1300.0 73.7226 1200.0 78.4513 1300.0 78.5003 1400.0 82.7215 1500.0 89.0831 1300.0 92.7575 1500.0 93.8634 1600.0 93.9039 1200.0 99.2429 1500.0 103.663 1500.0 105.5915 1400.0 120.7376 4200.0 125.0296 1300.0 126.0727 1400.0 133.573 1500.0 136.0759 1800.0 142.1853 1400.0 151.354 1400.0 152.3328 1400.0 155.0815 4200.0 162.2222 1500.0 164.9827 1500.0 165.3199 1500.0 166.7657 1700.0 168.9031 1400.0 174.8695 1600.0 212.2806 1900.0 217.1337 29000.0 222.4716 1700.0 229.1544 76000.0 229.3866 1800.0 230.1574 2700.0 234.6112 1500.0 235.144 4700.0 239.095 2300.0 242.895 1700.0 245.1281 55000.0 246.1321 2000.0 248.9381 1600.0 252.1337 4600.0 253.3268 1500.0 258.146 4500.0 263.1386 27000.0 270.1439 2000.0 286.1755 21000.0 298.8119 1600.0 333.1003 1500.0 337.2228 4600.0 342.1808 4300.0 344.1964 4200.0 355.0693 3900.0 359.0273 4200.0 360.191 50000.0 361.1952 2100.0 365.1835 2500.0 365.2179 10000.0 366.2632 1800.0 382.2152 2300.0 383.2283 1100000.0 384.2317 52000.0 384.6977 1600.0 399.202 37000.0 400.2061 2500.0 408.1915 6200.0 408.7244 1500.0 417.2119 4100.0 429.0868 4000.0 441.2491 3200.0 479.2649 25000.0 505.1389 1400.0 507.2597 34000.0 508.2624 3200.0 514.2656 2600.0 530.2961 27000.0 576.3163 7100.0 577.2228 1700.0 604.3117 24000.0 605.3152 2000.0 609.3382 7900.0 627.349 590000.0 628.3522 67000.0 633.3384 5500.0 643.3231 2700.0 644.0996 1500.0 661.3336 46000.0 662.3375 8900.0 709.07 1600.0 758.3848 3500.0 790.4126 38000.0 791.4122 4700.0 871.4708 10000.0 872.4736 3000.0 889.4805 250000.0 890.4841 46000.0 END IONS BEGIN IONS SCANS=304 PEPMASS=893.3608 CHARGE=1 COLLISION_ENERGY=0.0 470.1605 1000.0 512.1575 1300.0 534.191 1100.0 578.2049 2400.0 632.2527 2000.0 633.2574 2500.0 660.246 1400.0 677.2734 8700.0 678.2748 1200.0 703.2872 1100.0 704.2956 1200.0 718.2645 3700.0 731.2813 1200.0 744.2781 1100.0 749.2944 34000.0 750.2967 4800.0 761.319 10000.0 762.2883 2200.0 762.3232 1100.0 775.3063 1800.0 787.2977 2500.0 787.3334 7200.0 788.3044 2400.0 788.3389 1800.0 793.32 7700.0 804.3195 1600.0 805.3089 19000.0 806.3153 12000.0 831.3235 3700.0 832.3295 3900.0 837.2945 1400.0 837.3334 1100.0 849.3375 8000.0 850.3416 8600.0 876.3574 1400.0 892.438 2200.0 893.4434 1300.0 894.4011 3500.0 END IONS BEGIN IONS SCANS=305 PEPMASS=895.5266 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1000.0 73.0763 1500.0 74.0969 610000.0 75.1003 3600.0 86.0969 5800.0 120.0808 1900.0 123.3322 1000.0 171.1125 1400.0 272.16 2000.0 290.1703 1900.0 303.1696 31000.0 304.1728 2600.0 330.181 3500.0 330.9686 1000.0 344.1961 13000.0 345.2001 1100.0 345.2131 1300.0 345.4806 1000.0 355.1962 1900.0 373.2075 5200.0 415.2693 1000.0 422.2432 1800.0 443.2639 3100.0 450.238 22000.0 451.2417 2600.0 486.749 1000.0 502.2651 4400.0 503.2693 1200.0 514.303 1500.0 518.2597 1300.0 520.2754 23000.0 521.2793 3300.0 533.2748 45000.0 534.2781 6700.0 551.2863 6200.0 552.29 1000.0 562.223 1200.0 615.3494 3600.0 616.3535 1100.0 632.3432 52000.0 633.3607 52000.0 634.3635 6800.0 641.7568 1000.0 648.2345 1000.0 650.354 7300.0 661.3005 4300.0 687.3159 3100.0 703.3804 6200.0 704.381 1900.0 721.3916 3900.0 723.3699 2700.0 723.3994 1100.0 751.4009 2700.0 772.3321 4900.0 787.2968 2500.0 787.3344 1600.0 794.4429 6600.0 795.4441 1100.0 804.4283 12000.0 805.4307 2600.0 816.3598 4500.0 822.4382 52000.0 823.4408 10000.0 831.3218 1200.0 895.5275 7100.0 END IONS BEGIN IONS SCANS=306 PEPMASS=899.5237 CHARGE=1 COLLISION_ENERGY=0.0 86.0946 1500.0 86.0967 13000.0 120.0807 9400.0 132.4359 1100.0 134.0811 2400.0 187.1075 9400.0 201.1232 2400.0 205.1184 8400.0 231.1123 5100.0 233.1644 1400.0 249.1225 4400.0 261.1591 2800.0 272.16 9700.0 276.1703 2100.0 286.1758 8600.0 303.1699 130000.0 304.1732 5200.0 304.1865 2700.0 318.1802 1700.0 320.1963 3000.0 330.1804 17000.0 331.1843 1200.0 334.2125 1900.0 344.1962 45000.0 345.1996 2200.0 348.1908 7000.0 362.2064 14000.0 363.2095 1000.0 367.2332 1100.0 385.2432 1600.0 387.2231 16000.0 389.2541 3800.0 391.2329 2300.0 401.2172 3500.0 405.2339 12000.0 406.237 1000.0 415.2696 2200.0 417.2485 3200.0 419.2281 34000.0 420.232 2400.0 422.2428 14000.0 423.2451 1400.0 433.2799 6100.0 443.2646 19000.0 444.2679 1700.0 450.238 190000.0 451.2414 16000.0 461.2748 13000.0 462.28 1300.0 488.2859 1100.0 504.3167 3300.0 505.2809 2500.0 507.2596 34000.0 508.2626 3700.0 514.3016 12000.0 515.2646 1000.0 515.305 1800.0 523.2904 9700.0 532.3123 26000.0 533.275 310000.0 534.2761 24000.0 534.2948 2800.0 551.2853 150000.0 552.2855 6200.0 552.3052 24000.0 553.3049 2200.0 578.3329 2300.0 604.3481 6900.0 606.3275 24000.0 607.3301 3900.0 622.3589 3700.0 632.3432 550000.0 633.3459 72000.0 633.3788 1000.0 647.3748 11000.0 648.3788 1400.0 650.3536 68000.0 651.3565 11000.0 665.3856 78000.0 666.3885 9800.0 677.364 1700.0 703.3801 8400.0 704.382 1700.0 721.3903 36000.0 722.3942 7400.0 818.4424 1700.0 836.4538 49000.0 837.4574 8500.0 854.4636 3500.0 END IONS BEGIN IONS SCANS=307 PEPMASS=899.524 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 205.1178 1100.0 272.1601 1000.0 303.1694 10000.0 330.1807 1600.0 344.1964 3700.0 362.2066 1000.0 405.2338 1600.0 419.2281 2800.0 443.2649 1800.0 450.238 16000.0 461.2753 1200.0 507.2592 2400.0 532.3112 2300.0 533.2748 24000.0 534.2776 3100.0 551.2853 13000.0 552.3048 1900.0 606.3278 1800.0 632.3432 44000.0 633.346 6800.0 647.3731 1100.0 650.3536 6000.0 651.356 1100.0 665.3853 6800.0 721.3905 3900.0 836.4537 3400.0 837.4579 1000.0 899.4034 1200.0 END IONS BEGIN IONS SCANS=308 PEPMASS=904.591 CHARGE=1 COLLISION_ENERGY=0.0 81.0702 1300.0 101.0713 2900.0 106.0654 1000.0 152.0707 11000.0 188.0916 7600.0 206.1025 5100.0 220.0368 27000.0 250.047 5300.0 263.2367 3000.0 265.2523 3500.0 268.0574 12000.0 286.0681 16000.0 304.0787 18000.0 319.2629 1600.0 337.2732 1200.0 558.3176 1600.0 599.5024 1600.0 600.505 4900.0 601.5181 440000.0 602.5214 60000.0 615.3504 1200.0 632.3435 1100.0 784.3981 2500.0 785.4017 1000.0 820.5471 21000.0 821.5505 4600.0 850.5572 2900.0 868.5688 5000.0 869.5699 1200.0 886.5777 1800.0 887.6702 2400.0 903.6628 2600.0 904.59 1700.0 904.6674 1800.0 905.6829 2000.0 END IONS BEGIN IONS SCANS=309 PEPMASS=905.4762 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 23000.0 86.0985 1100.0 120.0808 11000.0 183.1124 1000.0 184.0732 1100.0 203.1027 2500.0 220.0366 1700.0 231.1125 4600.0 233.1648 1300.0 261.1591 1900.0 272.1602 1200.0 274.139 6200.0 275.175 1300.0 302.1861 3100.0 303.1699 82000.0 304.1732 4000.0 328.1868 1100.0 330.1805 12000.0 344.196 25000.0 345.1995 1600.0 355.0691 1500.0 355.1972 1000.0 362.2062 1000.0 373.2073 3100.0 401.2173 7300.0 415.2695 4000.0 419.2284 2300.0 422.2434 4100.0 428.2492 3800.0 429.0881 1800.0 438.2339 2000.0 439.2179 1200.0 443.2644 8700.0 450.2379 22000.0 451.2415 1900.0 456.2444 27000.0 457.2482 1600.0 484.2396 1200.0 514.3018 5400.0 532.3129 1600.0 533.275 57000.0 534.2782 5500.0 550.302 1200.0 551.2843 4600.0 575.3174 2000.0 585.3021 2600.0 601.5174 15000.0 602.5215 10000.0 603.3127 54000.0 604.3161 6000.0 604.3486 11000.0 605.3514 1000.0 632.3433 32000.0 633.3452 4000.0 650.354 2500.0 688.4022 2400.0 698.3855 2300.0 703.38 9600.0 704.3839 1400.0 716.3965 89000.0 717.3998 11000.0 732.3246 1100.0 806.4064 1800.0 816.3369 1900.0 817.3375 1600.0 860.3595 1600.0 861.3643 1300.0 877.4805 5900.0 878.4822 1200.0 887.4659 6300.0 905.4759 13000.0 906.4813 2400.0 END IONS BEGIN IONS SCANS=310 PEPMASS=916.4557 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 1400.0 86.0968 25000.0 91.506 1000.0 120.0807 9100.0 231.1126 4000.0 233.1646 4200.0 261.1592 5600.0 275.1744 1600.0 285.1193 2200.0 303.1699 90000.0 304.173 4600.0 330.1804 9500.0 344.1963 21000.0 345.1995 1700.0 384.1869 9100.0 401.2169 2800.0 415.269 1100.0 422.2428 4100.0 439.2287 2900.0 443.2647 7900.0 450.2381 17000.0 451.2409 1800.0 467.2244 11000.0 495.2183 2800.0 502.2648 1200.0 514.3013 3200.0 533.2749 30000.0 534.2773 3600.0 551.2855 1300.0 586.2959 2500.0 597.3387 1100.0 604.3484 1800.0 614.2922 32000.0 615.295 4300.0 628.3074 2000.0 632.343 15000.0 633.3466 2400.0 642.2883 1000.0 684.3713 1900.0 699.3813 6000.0 703.3802 1300.0 727.3761 150000.0 728.379 18000.0 746.3488 1600.0 817.3842 1400.0 888.4581 2100.0 898.4446 2700.0 916.4559 3100.0 END IONS BEGIN IONS SCANS=311 PEPMASS=917.5132 CHARGE=1 COLLISION_ENERGY=0.0 67.5512 1200.0 68.7544 1300.0 72.0812 1800.0 74.2215 1400.0 77.9642 1400.0 82.5677 1400.0 86.0966 52000.0 86.0985 2900.0 91.5083 3200.0 94.838 1400.0 112.4108 1400.0 112.9412 1500.0 113.1073 3000.0 120.0805 5800.0 129.2939 1300.0 131.4025 1400.0 148.118 1300.0 150.1576 1400.0 162.4284 1400.0 171.1127 3000.0 184.7429 1300.0 187.4283 1200.0 190.0855 1600.0 199.1799 2400.0 201.1238 2300.0 203.9865 1300.0 224.4207 1400.0 227.1755 13000.0 231.1124 6200.0 233.1645 5400.0 239.0231 1500.0 249.1241 2000.0 254.1492 3300.0 261.1594 2500.0 262.5721 1400.0 272.1602 3000.0 275.1744 2900.0 302.1852 1700.0 303.17 280000.0 304.1735 11000.0 309.1913 1700.0 327.2008 2300.0 330.1806 35000.0 331.1844 2700.0 332.16 1900.0 337.1868 2900.0 338.1705 4500.0 339.5907 1500.0 344.1962 42000.0 344.86 1400.0 355.1969 13000.0 362.207 1700.0 367.2333 3200.0 373.2223 3000.0 374.2424 9000.0 383.1918 5700.0 385.1856 2600.0 388.2589 33000.0 389.2628 2000.0 401.2177 19000.0 403.1974 1800.0 409.2799 4100.0 409.8315 1500.0 413.2173 3900.0 415.2696 4400.0 416.2537 490000.0 417.257 32000.0 431.2274 10000.0 432.2332 1500.0 443.2645 17000.0 445.2432 2500.0 449.6562 1600.0 450.2693 1500.0 451.2554 2700.0 457.2432 1400.0 457.2798 25000.0 461.2761 3600.0 474.2704 6200.0 475.2917 3400.0 480.3173 5900.0 484.2548 7300.0 486.3073 2300.0 502.2652 99000.0 503.2684 7000.0 514.3016 19000.0 526.3017 2700.0 528.3174 4000.0 528.3546 2800.0 532.3119 1500.0 544.3118 2700.0 556.3483 16000.0 558.3272 2600.0 563.3216 120000.0 564.324 13000.0 574.3594 7900.0 582.3657 2700.0 587.3537 4200.0 597.3392 7900.0 598.3218 1900.0 599.3909 2700.0 611.3533 2100.0 612.374 1400.0 615.349 74000.0 616.3511 8600.0 620.344 4500.0 627.3853 32000.0 628.3906 3100.0 640.3695 3200.0 646.3588 150000.0 647.362 16000.0 657.3959 3000.0 664.3699 11000.0 683.4119 1600.0 700.4377 7200.0 710.4236 9900.0 711.4061 4400.0 717.4318 9900.0 728.4331 230000.0 729.4362 32000.0 731.8832 1500.0 745.4273 110000.0 746.4298 14000.0 747.4044 7300.0 816.4636 19000.0 818.4418 3000.0 834.8949 1900.0 848.348 1700.0 899.5015 4300.0 917.5119 6300.0 END IONS BEGIN IONS SCANS=312 PEPMASS=917.5127 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 6300.0 113.1077 3400.0 227.1756 1300.0 303.1701 31000.0 304.1736 1600.0 330.1811 4400.0 344.1964 5300.0 355.1972 2200.0 383.1916 1100.0 388.2592 4300.0 401.218 2600.0 416.2539 52000.0 417.2576 4300.0 431.2289 1100.0 443.2654 1500.0 457.2814 2300.0 502.2654 9200.0 514.3005 2200.0 556.3478 2100.0 563.3218 14000.0 564.3251 1300.0 615.3495 9400.0 616.3522 1300.0 627.3859 3900.0 646.3591 16000.0 647.3621 1500.0 664.3696 1700.0 717.4308 1200.0 728.4332 27000.0 729.4367 3100.0 745.4278 13000.0 746.4292 1300.0 816.4642 2100.0 END IONS BEGIN IONS SCANS=313 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=314 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=315 PEPMASS=918.8123 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=316 PEPMASS=918.8131 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1200.0 99.0808 1100.0 101.0713 1500.0 115.0756 1200.0 117.0911 2600.0 133.0858 1100.0 175.1329 1500.0 233.1748 1200.0 577.5176 3700.0 591.498 4100.0 617.5131 8900.0 618.5162 1100.0 END IONS BEGIN IONS SCANS=317 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 101.0713 1300.0 112.0871 1200.0 115.0754 1200.0 117.0912 2400.0 175.1327 1700.0 577.5166 2300.0 591.4967 3100.0 617.5126 5100.0 618.5165 1300.0 END IONS BEGIN IONS SCANS=318 PEPMASS=918.8115 CHARGE=1 COLLISION_ENERGY=0.0 101.0713 1300.0 112.0871 1200.0 115.0754 1200.0 117.0912 2400.0 175.1327 1700.0 577.5166 2300.0 591.4967 3100.0 617.5126 5100.0 618.5165 1300.0 END IONS BEGIN IONS SCANS=319 PEPMASS=918.8122 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1500.0 279.2318 1600.0 577.5182 5600.0 578.5217 1100.0 591.4974 6700.0 617.5132 11000.0 618.5155 2300.0 END IONS BEGIN IONS SCANS=320 PEPMASS=918.8136 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1500.0 279.2318 1600.0 577.5182 5600.0 578.5217 1100.0 591.4974 6700.0 617.5132 11000.0 618.5155 2300.0 END IONS BEGIN IONS SCANS=321 PEPMASS=918.8122 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=322 PEPMASS=918.8117 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=323 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 279.2315 1200.0 577.5186 3800.0 591.4972 4400.0 617.5129 7700.0 618.5153 1800.0 END IONS BEGIN IONS SCANS=324 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=325 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=326 PEPMASS=918.8124 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=327 PEPMASS=918.8126 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=328 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 279.2316 1200.0 577.5189 4200.0 591.4981 4800.0 617.5132 8900.0 618.5166 3000.0 END IONS BEGIN IONS SCANS=329 PEPMASS=918.8114 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=330 PEPMASS=918.8112 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=331 PEPMASS=918.8119 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1200.0 279.2318 1300.0 577.5182 2400.0 591.4969 4000.0 617.5131 5200.0 618.5164 2100.0 END IONS BEGIN IONS SCANS=332 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 577.5192 3000.0 591.4979 2200.0 617.5123 5300.0 618.5153 1600.0 END IONS BEGIN IONS SCANS=333 PEPMASS=918.812 CHARGE=1 COLLISION_ENERGY=0.0 577.5192 3000.0 591.4979 2200.0 617.5123 5300.0 618.5153 1600.0 END IONS BEGIN IONS SCANS=334 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=335 PEPMASS=918.8123 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=336 PEPMASS=918.8128 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=337 PEPMASS=918.8138 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=338 PEPMASS=918.8136 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=339 PEPMASS=918.8127 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1100.0 279.2317 1200.0 577.5166 3600.0 591.4973 3900.0 617.5129 7600.0 618.5165 2600.0 END IONS BEGIN IONS SCANS=340 PEPMASS=918.813 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=341 PEPMASS=918.8125 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=342 PEPMASS=918.8131 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=343 PEPMASS=918.813 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=344 PEPMASS=918.8137 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=345 PEPMASS=918.8141 CHARGE=1 COLLISION_ENERGY=0.0 279.2317 1400.0 577.5181 5100.0 578.5206 1500.0 591.4971 6800.0 617.513 13000.0 618.5161 2700.0 918.8073 1000.0 END IONS BEGIN IONS SCANS=346 PEPMASS=923.6071 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 2300.0 86.0969 4400.0 87.0445 1800.0 89.06 3200.0 115.0755 1700.0 117.0913 5400.0 133.0858 3300.0 175.1326 3000.0 177.1121 1600.0 185.165 1700.0 213.1597 1400.0 229.1181 2800.0 233.1747 1700.0 245.1855 2600.0 328.1862 19000.0 342.2018 2600.0 352.2478 6400.0 360.2118 6000.0 370.2584 6800.0 413.2745 4000.0 439.2181 1400.0 441.27 8800.0 447.3214 1200.0 455.2856 1100.0 459.2804 4500.0 465.3315 10000.0 483.3422 15000.0 484.3467 1300.0 546.3893 2600.0 554.3539 4900.0 564.4 6100.0 572.3646 25000.0 573.3677 1800.0 582.4099 9000.0 583.4148 1600.0 596.4262 4200.0 598.3702 1600.0 651.4312 1400.0 661.4174 1400.0 679.4266 10000.0 680.4309 1300.0 693.4415 2100.0 695.494 3100.0 697.4368 11000.0 698.4405 1400.0 711.453 4700.0 764.5161 2600.0 765.4997 1300.0 792.5104 7700.0 793.5128 1100.0 810.5212 17000.0 811.5255 2100.0 824.5361 2700.0 878.5832 1400.0 895.6099 4600.0 905.5942 3600.0 923.6053 22000.0 924.6084 3900.0 END IONS BEGIN IONS SCANS=347 PEPMASS=925.5028 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 104.0709 4300.0 120.0809 4100.0 122.0812 80000.0 303.1698 46000.0 304.1736 2500.0 330.1806 4700.0 338.17 1400.0 344.1959 5800.0 355.1971 7100.0 362.2072 1200.0 367.2335 1100.0 401.217 2500.0 422.2434 4100.0 443.2646 2900.0 450.2379 42000.0 451.2411 3500.0 484.2543 1800.0 502.2651 26000.0 503.2682 2700.0 507.2596 2300.0 514.3013 5100.0 533.2748 44000.0 534.2781 4700.0 551.2849 11000.0 552.2894 1200.0 597.3394 2400.0 604.348 1800.0 606.3267 1900.0 615.3491 49000.0 616.3519 5000.0 632.3431 85000.0 633.3463 12000.0 634.3224 5900.0 650.3534 6300.0 651.3558 1100.0 703.3802 9400.0 704.3817 1500.0 705.3591 1300.0 733.3907 2400.0 776.4319 2700.0 786.4183 3100.0 804.4275 16000.0 805.4301 3000.0 END IONS BEGIN IONS SCANS=348 PEPMASS=935.4867 CHARGE=1 COLLISION_ENERGY=0.0 86.0951 1400.0 86.0968 23000.0 120.0809 9900.0 129.1024 1200.0 130.0971 1200.0 173.0922 2400.0 187.1078 2200.0 191.1022 2200.0 201.1235 1200.0 215.1026 11000.0 231.1125 3400.0 233.113 5800.0 249.1229 1100.0 254.1494 1300.0 261.1599 1200.0 270.1442 2000.0 271.1279 1700.0 272.1604 2100.0 275.175 1800.0 286.1393 2200.0 302.1861 2100.0 303.1699 85000.0 304.1499 32000.0 304.1729 4600.0 309.1924 1100.0 330.1803 5100.0 337.1862 2400.0 344.1964 31000.0 345.1998 1700.0 355.1972 11000.0 359.1913 1100.0 362.2068 2600.0 373.2084 2800.0 385.208 6100.0 401.2176 6500.0 403.2181 22000.0 415.2698 3300.0 419.2288 1500.0 422.2435 5300.0 423.2451 1200.0 443.2653 5400.0 450.2379 35000.0 451.2408 2800.0 458.2607 3300.0 468.2448 17000.0 469.247 1200.0 476.25 1300.0 484.2539 2300.0 486.2553 25000.0 487.2585 2100.0 496.2391 2400.0 502.2649 10000.0 507.2599 1900.0 514.3016 11000.0 520.2746 3300.0 532.313 2200.0 533.2751 78000.0 534.2788 6400.0 544.2755 1000.0 551.2859 15000.0 552.2892 1200.0 597.3385 3300.0 604.3486 11000.0 605.3283 1500.0 605.3514 1100.0 606.3281 2200.0 615.3129 9900.0 615.3489 11000.0 632.3434 70000.0 633.3232 24000.0 633.3483 6500.0 634.3262 2700.0 649.3696 1700.0 650.3537 5300.0 703.3806 23000.0 704.3828 3100.0 718.412 3700.0 721.3897 4100.0 728.3964 17000.0 729.3982 1700.0 746.4077 72000.0 747.3697 6000.0 747.4095 11000.0 786.415 1300.0 804.4282 6600.0 805.4297 1500.0 818.4437 1700.0 822.4378 1900.0 836.4175 3900.0 846.4379 6800.0 847.4393 1300.0 890.4654 1100.0 907.4904 7100.0 908.4923 2000.0 917.4755 27000.0 918.4805 5100.0 935.4827 11000.0 935.5226 2800.0 936.4881 2000.0 END IONS BEGIN IONS SCANS=349 PEPMASS=939.4892 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1300.0 237.1094 1400.0 303.1698 4700.0 308.146 3100.0 344.1966 1500.0 401.2183 1200.0 407.2143 2500.0 419.229 1600.0 450.2375 3800.0 490.2517 3400.0 502.266 1300.0 514.3033 1100.0 533.2746 5800.0 551.2855 3000.0 604.3486 5200.0 632.343 11000.0 633.3463 1500.0 637.3189 7400.0 650.3544 1700.0 703.3804 3200.0 705.3802 2800.0 721.392 2100.0 750.4031 6600.0 804.429 1100.0 939.4824 59000.0 940.4856 11000.0 END IONS BEGIN IONS SCANS=350 PEPMASS=940.4666 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 8200.0 91.5061 3100.0 120.0805 3400.0 231.1127 1900.0 233.1644 1100.0 238.093 3000.0 272.1603 1000.0 276.1085 3000.0 303.17 30000.0 304.1727 1100.0 309.1296 6600.0 330.1806 2900.0 337.1861 1400.0 344.1962 8800.0 355.1969 5200.0 364.1718 1100.0 382.2072 1500.0 401.2173 1300.0 408.1981 18000.0 409.2026 1500.0 420.198 3700.0 422.2419 1400.0 443.2649 2300.0 446.2135 2500.0 450.2381 10000.0 463.2412 6800.0 491.2355 100000.0 492.2391 5900.0 502.2651 4200.0 514.3027 1300.0 519.23 2000.0 533.2749 23000.0 534.2784 3400.0 551.2827 1100.0 604.3489 1700.0 610.3113 1100.0 615.348 4900.0 632.3436 14000.0 633.3464 1700.0 638.3035 110000.0 639.3065 12000.0 642.3605 2400.0 647.7296 1200.0 652.3173 1500.0 703.3796 2500.0 723.3936 2600.0 744.6572 1000.0 751.3875 210000.0 752.3906 27000.0 803.3454 1300.0 804.4277 3000.0 831.4385 5800.0 841.3995 1600.0 898.4543 1600.0 900.5573 1100.0 912.4704 3000.0 922.4545 4800.0 940.4662 44000.0 941.4695 8400.0 END IONS BEGIN IONS SCANS=351 PEPMASS=940.6332 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 199.1802 1800.0 213.1596 1400.0 227.1754 9300.0 246.1444 1400.0 326.2435 8100.0 328.1859 6000.0 342.2019 1000.0 344.2539 1400.0 345.2124 3800.0 352.2478 1400.0 370.2582 17000.0 395.2645 2000.0 413.2748 2100.0 423.2588 2800.0 441.2701 53000.0 442.2738 2300.0 455.2857 2100.0 455.3469 1100.0 458.2967 4500.0 465.3319 4900.0 483.3421 65000.0 484.3461 5200.0 508.3489 1400.0 526.3583 3600.0 536.3415 2200.0 553.3699 2400.0 554.3537 16000.0 555.3555 1700.0 568.4309 1800.0 571.3803 73000.0 572.3638 2100.0 572.3837 7500.0 578.4155 8400.0 596.426 84000.0 597.4294 7500.0 667.4998 1600.0 677.4831 3900.0 695.494 42000.0 696.4974 5300.0 764.5147 1500.0 792.5109 4600.0 810.5212 2700.0 905.5917 1500.0 922.6194 1100.0 923.6049 4400.0 924.608 1200.0 END IONS BEGIN IONS SCANS=352 PEPMASS=943.512 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 7400.0 104.071 5300.0 120.0808 4700.0 122.0812 78000.0 122.0965 1500.0 131.9149 1000.0 171.1124 1600.0 231.1125 1100.0 233.164 1100.0 272.16 3300.0 275.1742 1200.0 290.1704 4900.0 303.1697 49000.0 304.1732 4600.0 306.2538 1200.0 330.1807 5900.0 344.1963 20000.0 355.1963 1800.0 373.2077 9100.0 380.8329 1000.0 401.2177 1800.0 415.2695 1200.0 419.2277 1500.0 422.2433 4400.0 443.2645 3800.0 450.2381 33000.0 451.2411 3100.0 492.2812 2100.0 502.2648 5900.0 507.2578 1400.0 514.3024 2100.0 520.2755 38000.0 521.2788 4400.0 532.3126 1900.0 533.275 72000.0 534.278 9700.0 551.2855 11000.0 552.2877 1800.0 604.3469 1700.0 605.3641 2800.0 606.3286 1700.0 615.3483 6600.0 616.3539 1400.0 626.4697 1100.0 632.3433 86000.0 633.3604 82000.0 634.3631 12000.0 648.8966 1000.0 650.3533 10000.0 651.3566 1000.0 652.3325 1700.0 703.3806 8500.0 721.39 9700.0 722.3936 1900.0 723.3687 3800.0 751.3998 2700.0 752.402 1000.0 777.4193 1300.0 794.443 11000.0 795.4457 1600.0 804.4274 24000.0 805.4288 3100.0 822.4382 82000.0 823.4405 13000.0 END IONS BEGIN IONS SCANS=353 PEPMASS=943.5262 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 345.2005 1400.0 347.1913 3200.0 348.1917 1400.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 461.2748 2200.0 465.2812 1500.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 520.2749 1000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 604.3488 2500.0 606.3274 3300.0 607.344 12000.0 623.3372 1100.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 924.4974 1400.0 925.5024 2100.0 942.5068 30000.0 943.527 110000.0 944.5313 23000.0 END IONS BEGIN IONS SCANS=354 PEPMASS=943.5255 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 523.2917 1300.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 925.517 2600.0 943.5273 160000.0 944.5302 31000.0 END IONS BEGIN IONS SCANS=355 PEPMASS=943.5258 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 604.3488 1500.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 616.3542 1700.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 925.5173 2700.0 942.4593 4300.0 943.5279 180000.0 944.5311 39000.0 END IONS BEGIN IONS SCANS=356 PEPMASS=943.5264 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 604.3488 1500.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 616.3542 1700.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 925.5173 2700.0 942.4593 4300.0 943.5279 180000.0 944.5311 39000.0 END IONS BEGIN IONS SCANS=357 PEPMASS=943.5286 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 345.2005 1400.0 347.1913 3200.0 348.1917 1400.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 461.2748 2200.0 465.2812 1500.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 520.2749 1000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 604.3488 2500.0 606.3274 3300.0 607.344 12000.0 623.3372 1100.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 924.4974 1400.0 925.5024 2100.0 942.5068 30000.0 943.527 110000.0 944.5313 23000.0 END IONS BEGIN IONS SCANS=358 PEPMASS=943.5282 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6400.0 105.0701 4400.0 120.0809 2800.0 122.0812 1700.0 148.112 91000.0 149.1154 2000.0 194.1287 1600.0 201.1232 1600.0 223.144 10000.0 231.1133 1300.0 272.1604 1700.0 293.1608 1600.0 294.1807 14000.0 303.1698 31000.0 304.1729 2700.0 311.1709 2100.0 330.1803 4600.0 344.1959 7700.0 345.2005 1400.0 347.1913 3200.0 348.1917 1400.0 362.2072 2100.0 393.2498 2300.0 401.2175 1500.0 410.2389 2500.0 419.2283 5200.0 422.2424 2100.0 443.2643 4200.0 450.238 28000.0 451.2413 3100.0 461.2748 2200.0 465.2812 1500.0 493.2759 24000.0 494.2607 7300.0 494.28 7600.0 494.2979 3300.0 507.2586 3400.0 514.3024 2000.0 520.2749 1000.0 523.2905 2100.0 532.3113 3100.0 533.2747 35000.0 534.2786 6400.0 551.2855 24000.0 552.2885 3200.0 604.3488 2500.0 606.3274 3300.0 607.344 12000.0 623.3372 1100.0 632.343 68000.0 633.3446 11000.0 640.3444 19000.0 641.3449 11000.0 650.3534 15000.0 651.3579 1800.0 703.3796 3200.0 704.3855 1700.0 721.3906 8400.0 722.3951 2100.0 753.4278 19000.0 754.429 15000.0 778.4124 1600.0 822.4401 1300.0 914.5148 1200.0 924.4974 1400.0 925.5024 2100.0 942.5068 30000.0 943.527 110000.0 944.5313 23000.0 END IONS BEGIN IONS SCANS=359 PEPMASS=943.5294 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 523.2917 1300.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 925.517 2600.0 943.5273 160000.0 944.5302 31000.0 END IONS BEGIN IONS SCANS=360 PEPMASS=943.5284 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 105.07 2600.0 120.0809 1900.0 122.0813 1500.0 148.112 61000.0 149.1155 1300.0 201.1233 1700.0 223.144 16000.0 272.1601 1300.0 294.1809 20000.0 303.1696 18000.0 330.1808 2200.0 344.1961 4700.0 348.1911 1200.0 362.2066 2500.0 393.2488 4700.0 419.2282 4000.0 422.2431 2400.0 443.2643 2100.0 450.2379 26000.0 451.2408 2300.0 461.2751 2300.0 494.2604 4200.0 494.296 5100.0 507.2596 3100.0 514.3022 1400.0 520.2768 1500.0 523.2917 1300.0 532.3109 3100.0 533.2748 25000.0 534.2782 2400.0 551.2854 23000.0 552.2875 2300.0 606.3259 2900.0 607.344 7700.0 632.3431 56000.0 633.344 6200.0 641.3651 4400.0 650.3538 13000.0 651.3561 1200.0 703.3804 1500.0 721.3906 9500.0 722.3926 1500.0 754.4489 6600.0 755.4519 1400.0 778.4108 2100.0 822.4364 2000.0 826.4102 1100.0 925.517 2600.0 943.5273 160000.0 944.5302 31000.0 END IONS BEGIN IONS SCANS=361 PEPMASS=943.528 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4400.0 91.5082 1500.0 105.0701 6100.0 120.0812 2900.0 140.1434 3100.0 148.1121 140000.0 149.1152 3400.0 173.0919 1000.0 201.1234 1500.0 223.1441 17000.0 231.1125 1100.0 272.1596 1600.0 294.1809 23000.0 303.1699 27000.0 304.1734 1300.0 330.1809 4500.0 344.1963 7000.0 347.1921 3800.0 348.1914 1900.0 362.2069 4000.0 393.2489 3500.0 419.2289 5900.0 422.2433 3500.0 433.2811 1600.0 443.2655 3300.0 450.2383 38000.0 451.2422 4400.0 461.2763 2700.0 494.2604 10000.0 494.2963 5600.0 507.2594 5700.0 514.3018 2800.0 523.2921 1800.0 532.3119 4700.0 533.275 41000.0 534.2783 4100.0 551.2856 35000.0 552.2899 3800.0 604.3488 1500.0 606.3276 4100.0 607.3439 19000.0 608.3478 2800.0 616.3542 1700.0 632.3434 90000.0 633.3455 11000.0 641.3643 4800.0 650.3541 23000.0 651.3564 2800.0 703.3826 2400.0 721.3914 13000.0 722.3964 1100.0 754.4484 6800.0 778.4144 2000.0 822.4377 1100.0 826.4115 3100.0 851.3484 1100.0 925.5173 2700.0 942.4593 4300.0 943.5279 180000.0 944.5311 39000.0 END IONS BEGIN IONS SCANS=362 PEPMASS=953.5335 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1400.0 158.1176 2100.0 233.1495 1700.0 303.1695 8800.0 304.1866 7900.0 330.1811 1500.0 344.1958 2200.0 362.2071 1100.0 403.2547 3200.0 419.2286 2900.0 443.2646 1100.0 450.2379 13000.0 451.2411 1100.0 494.2603 1500.0 504.3019 3900.0 507.2592 2300.0 514.3026 1100.0 523.2919 1100.0 532.3124 1500.0 533.275 17000.0 534.2788 1500.0 551.2858 9600.0 606.3273 1400.0 607.3444 2800.0 632.3431 31000.0 633.3453 4100.0 650.3539 5400.0 651.3713 2900.0 721.392 4000.0 764.4545 6100.0 953.5336 10000.0 954.5386 1800.0 END IONS BEGIN IONS SCANS=363 PEPMASS=953.5325 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1400.0 158.1176 2100.0 233.1495 1700.0 303.1695 8800.0 304.1866 7900.0 330.1811 1500.0 344.1958 2200.0 362.2071 1100.0 403.2547 3200.0 419.2286 2900.0 443.2646 1100.0 450.2379 13000.0 451.2411 1100.0 494.2603 1500.0 504.3019 3900.0 507.2592 2300.0 514.3026 1100.0 523.2919 1100.0 532.3124 1500.0 533.275 17000.0 534.2788 1500.0 551.2858 9600.0 606.3273 1400.0 607.3444 2800.0 632.3431 31000.0 633.3453 4100.0 650.3539 5400.0 651.3713 2900.0 721.392 4000.0 764.4545 6100.0 953.5336 10000.0 954.5386 1800.0 END IONS BEGIN IONS SCANS=364 PEPMASS=953.5338 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3700.0 120.0808 3700.0 158.1175 6900.0 173.0917 1200.0 201.1231 2200.0 231.1122 1400.0 233.1495 5600.0 261.1592 1100.0 272.1599 2000.0 303.1699 27000.0 304.1719 1100.0 304.1863 22000.0 330.1811 2900.0 344.1961 8900.0 347.1915 3700.0 348.1911 1400.0 362.207 2800.0 391.2333 1100.0 403.2546 7100.0 419.2281 6100.0 422.2434 2900.0 443.2648 4300.0 450.2381 42000.0 451.2418 4200.0 461.2752 2800.0 494.2603 6800.0 504.3018 9800.0 507.2596 7500.0 508.264 1100.0 514.3018 2600.0 523.2905 2100.0 532.3116 5500.0 533.275 53000.0 534.2787 5600.0 551.2855 32000.0 552.2886 3800.0 606.3272 4600.0 607.3444 12000.0 608.3478 1300.0 632.3434 91000.0 633.3456 9300.0 650.3542 16000.0 651.3722 7400.0 703.3806 2300.0 721.3907 11000.0 722.3939 1100.0 764.4544 12000.0 765.4573 1900.0 778.4133 1300.0 822.4406 1200.0 907.5253 3100.0 953.5331 26000.0 954.5362 5000.0 END IONS BEGIN IONS SCANS=365 PEPMASS=953.535 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4200.0 91.5082 1100.0 120.0804 2700.0 158.1175 7300.0 201.1237 2300.0 233.1492 6900.0 246.1438 1700.0 249.1223 1700.0 261.1591 1300.0 272.1603 2000.0 303.1698 30000.0 304.1863 32000.0 305.189 1400.0 330.1805 4800.0 344.196 9400.0 347.1917 3200.0 348.1909 1600.0 362.2064 4200.0 401.2173 1200.0 403.2546 8700.0 419.2286 6900.0 422.243 3300.0 433.2799 1200.0 443.2645 4200.0 450.238 41000.0 451.2414 3800.0 461.2751 3700.0 494.2604 7300.0 504.3016 10000.0 507.2598 7100.0 514.3019 2700.0 523.2905 2500.0 532.3121 6700.0 533.2751 50000.0 534.2776 4600.0 551.2854 35000.0 552.2888 3000.0 589.333 1000.0 604.3489 1300.0 606.3278 5100.0 607.3442 12000.0 608.3455 1200.0 632.3433 100000.0 633.345 12000.0 650.3539 22000.0 651.3718 8800.0 652.3732 1600.0 703.3818 2100.0 721.3909 15000.0 722.3946 1700.0 764.454 16000.0 765.4565 1700.0 778.4124 1800.0 822.4371 1900.0 907.5282 5400.0 935.5253 1700.0 953.5331 49000.0 954.5358 8400.0 END IONS BEGIN IONS SCANS=366 PEPMASS=953.5331 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4200.0 91.5082 1100.0 120.0804 2700.0 158.1175 7300.0 201.1237 2300.0 233.1492 6900.0 246.1438 1700.0 249.1223 1700.0 261.1591 1300.0 272.1603 2000.0 303.1698 30000.0 304.1863 32000.0 305.189 1400.0 330.1805 4800.0 344.196 9400.0 347.1917 3200.0 348.1909 1600.0 362.2064 4200.0 401.2173 1200.0 403.2546 8700.0 419.2286 6900.0 422.243 3300.0 433.2799 1200.0 443.2645 4200.0 450.238 41000.0 451.2414 3800.0 461.2751 3700.0 494.2604 7300.0 504.3016 10000.0 507.2598 7100.0 514.3019 2700.0 523.2905 2500.0 532.3121 6700.0 533.2751 50000.0 534.2776 4600.0 551.2854 35000.0 552.2888 3000.0 589.333 1000.0 604.3489 1300.0 606.3278 5100.0 607.3442 12000.0 608.3455 1200.0 632.3433 100000.0 633.345 12000.0 650.3539 22000.0 651.3718 8800.0 652.3732 1600.0 703.3818 2100.0 721.3909 15000.0 722.3946 1700.0 764.454 16000.0 765.4565 1700.0 778.4124 1800.0 822.4371 1900.0 907.5282 5400.0 935.5253 1700.0 953.5331 49000.0 954.5358 8400.0 END IONS BEGIN IONS SCANS=367 PEPMASS=953.5343 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 2400.0 104.0709 2200.0 120.0808 1500.0 122.0812 26000.0 218.1174 1300.0 317.1856 1000.0 330.1808 3200.0 331.2011 20000.0 332.205 1100.0 344.1963 10000.0 355.1971 2700.0 401.2169 2300.0 443.2644 3100.0 450.274 1700.0 478.2694 16000.0 479.2722 1500.0 502.2654 17000.0 503.2679 1300.0 514.3017 5300.0 561.3062 19000.0 562.309 1700.0 579.3157 4400.0 597.3383 1800.0 615.3491 45000.0 616.3527 5900.0 629.3655 1600.0 634.3588 1100.0 660.3746 41000.0 661.3774 4700.0 662.3533 2600.0 678.3843 2700.0 731.4116 4000.0 814.4487 1100.0 826.4095 2200.0 827.4124 2000.0 832.4601 6800.0 END IONS BEGIN IONS SCANS=368 PEPMASS=958.4774 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1700.0 148.1121 1500.0 173.0916 1400.0 303.1697 7500.0 309.1298 5600.0 344.1964 2700.0 408.1981 16000.0 450.2379 8400.0 491.2345 3000.0 507.2594 2000.0 509.2458 22000.0 510.2491 1000.0 533.2748 12000.0 534.2779 2000.0 551.2852 6800.0 632.3427 13000.0 633.3445 1900.0 638.3035 1500.0 650.3533 1400.0 656.3141 16000.0 657.3134 1200.0 751.3859 1700.0 769.3979 26000.0 770.4018 3900.0 940.4659 4000.0 941.4679 1100.0 957.5436 6300.0 958.4741 14000.0 958.5445 7000.0 959.4783 2800.0 END IONS BEGIN IONS SCANS=369 PEPMASS=959.5227 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 91.5078 1200.0 120.0809 2600.0 121.0645 5500.0 164.1069 63000.0 165.1099 1200.0 201.123 1800.0 239.1385 17000.0 249.1226 1300.0 272.1599 2300.0 292.1646 1800.0 303.1699 21000.0 304.1736 1100.0 310.1757 22000.0 330.1805 3500.0 344.1966 5400.0 347.1931 1100.0 348.1907 1200.0 362.2064 4200.0 409.244 5700.0 419.2281 7000.0 422.2433 2500.0 443.2643 2400.0 450.2379 31000.0 451.2415 3700.0 461.2751 2500.0 494.2602 5200.0 507.2591 5200.0 510.2916 8000.0 520.2754 2300.0 523.2899 2600.0 532.3122 5400.0 533.275 29000.0 534.2777 3500.0 551.2855 29000.0 552.2893 3600.0 606.3279 5100.0 607.345 10000.0 608.3469 1500.0 632.3433 74000.0 633.3468 7600.0 650.3537 18000.0 651.3563 2900.0 657.3591 6300.0 658.3632 1100.0 703.3806 1300.0 721.3906 14000.0 722.3945 1500.0 770.4439 8100.0 771.4465 1300.0 778.4125 2200.0 941.512 3300.0 959.5225 220000.0 960.5257 48000.0 END IONS BEGIN IONS SCANS=370 PEPMASS=959.5222 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6200.0 120.0781 1300.0 120.0808 3000.0 121.0648 13000.0 148.1119 1500.0 164.1069 150000.0 165.1104 3500.0 201.1234 2400.0 231.1119 1200.0 239.1389 31000.0 246.1451 1300.0 249.1227 1600.0 261.159 1300.0 272.16 2800.0 303.1699 33000.0 304.1735 1500.0 310.1756 37000.0 311.1789 1000.0 330.1806 4800.0 344.1966 8000.0 347.1912 4000.0 348.1915 2500.0 362.2066 3700.0 389.2539 1100.0 409.2432 7400.0 417.2489 1100.0 419.2278 8200.0 422.244 2900.0 433.2809 2200.0 443.2644 5100.0 450.2379 52000.0 451.2417 6000.0 461.2751 4300.0 494.2602 10000.0 505.2803 1000.0 507.2593 6700.0 510.2914 11000.0 514.3017 3200.0 520.277 1200.0 523.2906 2700.0 532.3121 6400.0 533.275 49000.0 534.2787 5900.0 551.2855 44000.0 552.2886 4800.0 589.3346 1200.0 604.3494 1600.0 606.3277 7300.0 607.3446 18000.0 608.3467 2100.0 622.3602 1700.0 632.3433 130000.0 633.3442 13000.0 650.3536 30000.0 651.3566 5100.0 657.3595 8900.0 658.3625 1100.0 661.2979 1200.0 688.3212 1400.0 703.381 3000.0 721.391 19000.0 722.3933 2600.0 752.4312 1000.0 770.4432 14000.0 771.4489 2200.0 772.3308 1300.0 773.3345 1600.0 778.4135 3800.0 796.4242 1300.0 816.3585 1600.0 817.3624 2400.0 822.4382 2100.0 844.4197 1100.0 941.5131 3700.0 958.5485 7200.0 959.5222 360000.0 960.5253 71000.0 986.9136 1000.0 END IONS BEGIN IONS SCANS=371 PEPMASS=959.5232 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 6200.0 120.0808 3700.0 121.0648 9900.0 122.0811 11000.0 124.0868 1200.0 164.1068 130000.0 165.1103 2600.0 201.1231 1800.0 239.1386 18000.0 246.1436 1000.0 261.1595 1300.0 272.1599 1700.0 303.1699 26000.0 304.1732 2600.0 310.1757 19000.0 317.1855 4200.0 318.1888 1900.0 330.1803 5000.0 344.196 9500.0 345.1996 2600.0 347.1909 2800.0 348.1912 2200.0 362.2064 2400.0 373.2072 1400.0 409.2437 4500.0 419.2283 5600.0 422.2428 2800.0 443.2639 3300.0 450.238 34000.0 451.2414 4900.0 451.2742 1000.0 461.2745 2400.0 464.2536 1500.0 465.2578 2000.0 494.2599 8400.0 507.2597 5800.0 510.2911 4200.0 514.3016 2000.0 520.2753 3000.0 521.2783 2300.0 523.2898 2100.0 532.3119 4600.0 533.2749 38000.0 534.2773 7000.0 547.2901 2700.0 548.2944 3400.0 549.2965 1600.0 551.2852 27000.0 552.2887 3100.0 604.3489 1700.0 606.3272 3800.0 607.3441 15000.0 608.347 1700.0 632.343 76000.0 633.3472 8900.0 634.3636 5700.0 635.3652 2000.0 646.3585 3100.0 647.3605 8800.0 648.3755 3500.0 650.3538 19000.0 651.3564 2500.0 657.3596 4200.0 703.3795 1500.0 721.3904 11000.0 722.3932 1400.0 736.409 1300.0 770.4452 4800.0 778.4128 2100.0 809.4602 1500.0 819.4457 2700.0 820.4492 2000.0 822.4384 2100.0 836.4537 1700.0 837.4579 8700.0 838.4589 5100.0 941.5118 1800.0 958.5453 3500.0 959.5224 170000.0 960.5255 35000.0 END IONS BEGIN IONS SCANS=372 PEPMASS=967.5504 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1300.0 158.1177 1200.0 247.1651 3700.0 303.1698 7300.0 318.2018 16000.0 344.196 2200.0 417.27 2400.0 419.2289 1800.0 450.2383 8400.0 507.2597 1700.0 518.318 2800.0 523.2915 1000.0 533.2752 12000.0 534.2792 1600.0 551.2858 7300.0 621.3599 1100.0 632.3431 20000.0 633.3458 2600.0 650.3538 3700.0 665.3862 2200.0 721.392 3000.0 778.4702 3700.0 819.4077 1800.0 921.5433 1700.0 966.4941 6600.0 967.4987 3000.0 967.5489 17000.0 968.5525 3400.0 END IONS BEGIN IONS SCANS=373 PEPMASS=973.5397 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3200.0 91.5081 1400.0 120.081 2100.0 121.0649 3900.0 164.1069 35000.0 187.108 1300.0 249.1235 1400.0 253.1541 10000.0 272.1609 1400.0 303.1698 20000.0 324.1913 21000.0 325.1953 1700.0 330.18 2300.0 344.1962 5100.0 361.2079 1400.0 362.2063 2400.0 419.2279 4400.0 422.2431 2300.0 423.2592 3900.0 443.2654 2400.0 450.238 28000.0 451.2417 2000.0 461.276 1500.0 507.2596 4500.0 508.2762 3600.0 514.3019 1600.0 523.2911 1800.0 524.3069 3200.0 532.3123 3600.0 533.2751 30000.0 534.2762 2000.0 551.2854 26000.0 552.2898 2300.0 606.3281 1800.0 621.3594 6900.0 622.3618 1200.0 632.3435 55000.0 633.3461 7600.0 647.3748 1500.0 650.3541 11000.0 671.3746 3600.0 721.3915 7900.0 722.3935 1200.0 784.4589 6100.0 785.4619 1000.0 836.4543 1900.0 955.5298 3100.0 973.5381 300000.0 974.5412 59000.0 END IONS BEGIN IONS SCANS=374 PEPMASS=973.8185 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 112.0872 1100.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=375 PEPMASS=973.8187 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 112.0872 1100.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=376 PEPMASS=973.8185 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.0601 2300.0 99.0808 1900.0 100.1126 2100.0 101.0714 12000.0 112.0872 1100.0 115.0755 1500.0 117.0912 5300.0 126.1027 1500.0 133.0858 2000.0 168.1386 2000.0 175.1332 2100.0 177.112 1400.0 233.1748 1700.0 277.2156 4500.0 336.2522 2000.0 575.5021 5600.0 589.4816 3600.0 613.4819 5800.0 648.5177 1500.0 672.5185 2900.0 745.5971 2500.0 928.7577 1700.0 END IONS BEGIN IONS SCANS=377 PEPMASS=980.6277 CHARGE=1 COLLISION_ENERGY=0.0 72.0811 2100.0 78.9852 1200.0 86.0966 19000.0 87.4907 1300.0 88.4971 1300.0 105.0111 1500.0 105.1514 1400.0 108.7041 1300.0 110.7389 1200.0 112.2798 1500.0 119.5319 1300.0 130.5175 1300.0 132.1018 1600.0 148.5931 1200.0 166.5947 1400.0 175.9596 1300.0 180.7144 1300.0 180.8984 1500.0 199.1799 5400.0 201.1228 2700.0 209.0306 1400.0 221.5598 1400.0 227.1754 23000.0 229.1179 11000.0 231.17 1600.0 240.2782 1400.0 245.186 12000.0 254.0722 1300.0 268.1904 1600.0 277.513 1500.0 281.221 2200.0 293.1288 1600.0 296.1851 15000.0 296.1932 1800.0 298.2475 1700.0 314.1955 9300.0 314.205 1500.0 315.2644 3700.0 316.2477 1300.0 326.243 14000.0 328.1858 18000.0 330.4886 1300.0 342.2021 11000.0 344.2528 2300.0 348.0836 1400.0 356.601 1400.0 358.2701 2100.0 360.2121 22000.0 391.2587 3600.0 395.2643 11000.0 396.2488 2700.0 399.2838 2800.0 409.2689 33000.0 410.263 1700.0 413.2749 4800.0 414.2593 2200.0 422.7818 1400.0 423.2592 16000.0 423.3964 1400.0 424.2625 2000.0 427.2798 46000.0 428.2815 2000.0 429.2219 4200.0 437.2744 1400.0 441.2701 98000.0 442.2729 5700.0 445.2909 6800.0 449.9121 1400.0 455.2859 11000.0 457.338 4100.0 459.2803 16000.0 460.2823 2000.0 469.2652 2400.0 473.2961 2000.0 476.3474 2100.0 493.1686 1400.0 494.3585 1600.0 496.3003 2900.0 504.3427 11000.0 507.2811 1700.0 508.3494 13000.0 509.3319 4100.0 509.3503 1700.0 512.3688 9800.0 513.3724 1700.0 514.3128 1600.0 522.3527 44000.0 523.356 3900.0 524.2963 4000.0 525.2899 2300.0 526.3603 10000.0 527.344 3000.0 536.3432 17000.0 540.3635 98000.0 541.3671 8500.0 541.4097 1500.0 542.3067 9100.0 543.3748 2600.0 552.3028 1900.0 554.3538 49000.0 555.3574 3300.0 568.3699 6500.0 570.4216 1600.0 572.3646 21000.0 586.3795 9200.0 592.829 1500.0 603.4105 8500.0 608.4257 1700.0 609.3849 5400.0 610.3872 1600.0 621.4197 26000.0 622.4205 3500.0 623.3629 2500.0 625.4155 1900.0 625.4523 3600.0 627.3963 3700.0 635.4384 4100.0 637.3802 13000.0 638.3781 2400.0 638.6077 7000.0 639.4315 61000.0 640.4351 5600.0 641.3737 3200.0 643.7227 1400.0 649.4269 4700.0 653.447 9100.0 654.4516 1600.0 655.3897 34000.0 656.3946 3700.0 656.617 6500.0 667.4377 41000.0 668.442 3700.0 682.2324 1500.0 685.4485 430000.0 686.4517 51000.0 691.4257 2100.0 708.451 3800.0 709.4371 12000.0 718.4379 5700.0 721.5104 2200.0 722.47 3800.0 724.5217 2600.0 726.4639 2300.0 732.4535 1700.0 734.5051 7000.0 736.4477 19000.0 737.4492 2000.0 750.4632 8700.0 752.5153 30000.0 753.5198 4600.0 754.4584 28000.0 755.4607 2900.0 766.5313 3800.0 767.9691 1700.0 768.475 14000.0 769.4775 2800.0 776.5125 1700.0 778.4595 1700.0 803.524 4600.0 804.508 1900.0 820.5809 1900.0 821.5371 19000.0 822.5193 9300.0 831.5225 4600.0 839.5463 2100.0 849.5324 31000.0 850.5337 2900.0 853.5625 2400.0 863.5479 8500.0 864.5479 1800.0 865.6003 3900.0 867.5426 60000.0 867.8984 1700.0 868.5471 8900.0 881.5582 24000.0 882.5627 2100.0 917.5925 1700.0 934.6205 7900.0 935.6041 7600.0 936.6109 2100.0 944.6066 5500.0 952.6315 41000.0 953.6329 7800.0 962.6164 70000.0 963.6202 12000.0 980.6267 320000.0 981.6289 59000.0 END IONS BEGIN IONS SCANS=378 PEPMASS=980.6279 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 5900.0 117.091 2700.0 199.18 1600.0 201.1232 1100.0 227.175 3100.0 229.1177 1700.0 298.2117 2500.0 300.1549 5800.0 324.2162 5000.0 342.2016 1800.0 342.2265 2300.0 360.2121 4200.0 367.2336 2800.0 385.2442 1200.0 395.2283 3500.0 413.2385 28000.0 414.2411 1500.0 419.2894 1000.0 427.279 1400.0 429.3055 1100.0 431.249 4200.0 437.3 7600.0 441.2694 3100.0 455.2849 1300.0 455.3104 8800.0 473.3217 1900.0 479.2496 1200.0 480.317 4800.0 498.3273 4700.0 508.3123 5200.0 522.3525 1300.0 526.3226 13000.0 532.3724 2700.0 540.3627 2900.0 540.3999 1900.0 544.3326 6100.0 550.3837 7400.0 568.3945 16000.0 569.3977 1000.0 570.3373 1100.0 603.4108 2400.0 611.4114 1400.0 621.3949 1500.0 621.421 6900.0 638.607 8100.0 639.4059 10000.0 639.4316 9900.0 639.6105 1100.0 641.3752 1600.0 655.4232 1100.0 656.6177 8600.0 657.4171 110000.0 658.42 11000.0 665.4113 2000.0 671.4322 1300.0 681.4795 2700.0 683.4221 4300.0 685.4484 8700.0 708.453 1400.0 709.4373 1400.0 718.4376 2100.0 734.5046 1600.0 736.4479 7900.0 752.5154 6500.0 754.4579 9200.0 755.462 1200.0 796.5045 1300.0 803.5275 1500.0 821.5366 6400.0 822.5228 1500.0 831.5214 2300.0 839.546 1100.0 849.532 9700.0 850.5364 1400.0 867.5422 19000.0 868.5453 2500.0 934.6207 2700.0 935.6044 2000.0 944.6085 2100.0 952.6317 12000.0 953.6348 2100.0 962.616 19000.0 963.6178 3200.0 980.6263 82000.0 981.6299 15000.0 END IONS BEGIN IONS SCANS=379 PEPMASS=980.6284 CHARGE=1 COLLISION_ENERGY=0.0 72.081 1500.0 86.0967 6400.0 115.075 1200.0 117.091 3800.0 175.1323 1600.0 185.1642 1000.0 199.1797 1300.0 201.1225 1400.0 213.1594 1600.0 227.1752 7600.0 229.1178 4200.0 231.1697 3600.0 233.1745 1500.0 282.2784 1300.0 310.2006 5400.0 315.2634 1000.0 326.2429 6700.0 328.1857 8700.0 328.2113 4400.0 338.2319 1300.0 342.2019 2400.0 344.2537 1500.0 346.1965 4700.0 381.2486 1300.0 395.2647 4000.0 399.223 2700.0 405.2734 1600.0 409.268 1000.0 413.275 1500.0 423.2596 5500.0 423.2841 10000.0 427.2544 1800.0 427.2795 3500.0 441.2701 34000.0 441.2942 15000.0 442.274 2000.0 442.2975 1200.0 443.2376 1200.0 445.2648 5100.0 445.2904 1900.0 451.3152 1400.0 455.2861 2800.0 469.3263 1500.0 508.3483 5500.0 512.3068 2300.0 512.3679 2600.0 518.3575 3900.0 522.3276 1200.0 522.3522 1900.0 526.3591 4600.0 530.3171 1300.0 536.3435 5200.0 536.3682 12000.0 537.3725 1300.0 540.3382 4600.0 540.363 12000.0 541.3661 1200.0 552.2993 1100.0 554.3538 11000.0 554.3788 24000.0 555.3824 2000.0 556.3222 2400.0 558.3479 4700.0 564.4 1600.0 572.3633 4200.0 582.4091 1700.0 609.3846 1700.0 617.4266 2800.0 620.5956 1700.0 621.4205 1300.0 625.39 2900.0 625.429 2100.0 625.4525 2100.0 627.396 1500.0 635.4369 8200.0 636.4409 1000.0 637.3786 3800.0 638.6066 12000.0 639.4313 2900.0 639.6103 1600.0 643.4012 24000.0 644.4038 2000.0 653.4213 15000.0 653.4473 24000.0 654.424 1400.0 654.4506 2700.0 655.3903 11000.0 656.3925 1200.0 656.6173 16000.0 657.4162 2900.0 657.62 1400.0 669.4061 1300.0 671.4324 120000.0 672.4359 13000.0 681.4798 1500.0 709.4363 2900.0 722.4704 2200.0 724.5198 1200.0 732.4524 1800.0 734.5038 2800.0 736.4484 1700.0 750.463 8600.0 752.5154 7400.0 753.5202 1300.0 754.459 3500.0 766.5318 1400.0 768.4736 9600.0 769.475 1000.0 803.5269 1300.0 821.5362 5700.0 822.52 1800.0 849.5316 9800.0 853.5633 1700.0 863.5469 4100.0 865.5991 1800.0 867.5416 11000.0 868.5458 1300.0 881.5571 19000.0 882.5593 2600.0 934.6215 2300.0 935.601 3500.0 944.6017 2300.0 952.6313 14000.0 953.6353 3300.0 962.6156 25000.0 962.7003 1000.0 963.6174 5000.0 980.6261 110000.0 981.6293 19000.0 END IONS BEGIN IONS SCANS=380 PEPMASS=980.6626 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 4700.0 89.0602 1300.0 117.091 4100.0 133.0858 1800.0 154.1591 1300.0 175.1327 1700.0 199.1804 1900.0 200.1643 2900.0 227.1751 5200.0 229.1181 2900.0 243.1338 1500.0 245.1857 1600.0 255.1697 2800.0 271.2014 1300.0 281.222 1600.0 283.1646 9500.0 283.2009 3600.0 293.1849 3600.0 296.2214 1000.0 311.1956 6900.0 324.2161 7600.0 326.2426 2100.0 328.1855 3200.0 342.2018 4100.0 342.2278 2000.0 343.2945 8200.0 360.2127 2200.0 392.2534 7600.0 396.2485 12000.0 410.2641 3900.0 414.2588 11000.0 427.3159 4200.0 437.2998 7300.0 441.2703 6600.0 455.2857 1500.0 455.3106 11000.0 456.3789 4700.0 458.2961 2200.0 459.2803 1700.0 472.3382 1500.0 481.3371 1400.0 507.2807 3800.0 509.3326 8400.0 523.3732 6900.0 525.2911 19000.0 526.2943 1600.0 526.3595 1900.0 527.3428 20000.0 528.3474 1900.0 540.3997 5900.0 550.3839 5200.0 554.3542 1900.0 566.4177 1200.0 568.3945 11000.0 569.3981 1300.0 570.3373 2000.0 570.4216 1300.0 571.4052 11000.0 572.3646 6600.0 585.4203 3200.0 586.3796 4400.0 594.4099 5800.0 610.3815 2000.0 622.4161 1600.0 636.4582 4600.0 638.3745 9800.0 638.6068 2200.0 640.4266 8600.0 649.4526 1600.0 655.4277 2400.0 656.6183 1600.0 657.4534 1400.0 665.4105 1500.0 667.4628 2900.0 669.4055 1100.0 670.4733 6700.0 681.4783 3000.0 683.4211 5300.0 685.4482 2100.0 698.5058 4400.0 700.4488 1300.0 707.4935 5000.0 709.4734 7200.0 737.4678 27000.0 738.4711 3200.0 749.5411 9100.0 750.5447 1200.0 751.457 2000.0 764.4789 1400.0 769.4677 2600.0 778.4952 1400.0 780.5475 1300.0 782.4879 3600.0 796.5053 3300.0 804.5472 1200.0 820.5778 5700.0 822.5558 4100.0 832.5422 1800.0 848.6089 16000.0 849.6122 2700.0 850.552 30000.0 851.5547 5200.0 867.5785 1300.0 877.5628 1000.0 881.5948 1100.0 891.5761 1000.0 893.6298 1200.0 895.5736 18000.0 896.5759 2800.0 901.634 1300.0 909.5897 7300.0 919.6446 5000.0 920.6498 1500.0 935.6385 2800.0 936.6732 1600.0 945.6261 1200.0 962.6526 6500.0 963.6362 29000.0 964.6394 5900.0 980.6627 130000.0 981.6661 29000.0 END IONS BEGIN IONS SCANS=381 PEPMASS=987.5174 CHARGE=1 COLLISION_ENERGY=0.0 192.1015 1300.0 303.1697 4900.0 338.1705 5700.0 344.1967 2100.0 419.2278 1300.0 437.239 1200.0 450.238 7700.0 451.2415 1100.0 480.2808 1300.0 507.2603 1700.0 533.2748 11000.0 534.2764 1200.0 538.2861 1600.0 551.2855 6700.0 607.3437 1300.0 632.3434 15000.0 633.3436 2400.0 650.3519 2300.0 685.3531 1400.0 721.3906 1800.0 798.4382 3500.0 987.5147 3000.0 END IONS BEGIN IONS SCANS=382 PEPMASS=987.5175 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 3400.0 120.0804 2900.0 173.0916 1300.0 192.1018 9100.0 201.1231 2700.0 221.1279 1400.0 246.1443 1000.0 249.1229 1300.0 267.1333 6800.0 272.1595 1300.0 303.17 24000.0 330.1809 3200.0 338.1705 29000.0 339.174 2000.0 344.1961 7800.0 347.192 1800.0 348.1915 2200.0 362.2068 3300.0 419.2281 5800.0 422.2433 3300.0 433.2797 1200.0 437.2387 7800.0 443.2639 3700.0 450.2382 34000.0 451.2413 2800.0 461.2751 1900.0 494.26 5000.0 507.2595 6400.0 514.3013 2500.0 523.2911 1800.0 532.3123 5200.0 533.2751 44000.0 534.2791 5300.0 538.2867 8700.0 551.2853 32000.0 552.2883 3700.0 589.3332 1200.0 604.3484 1700.0 606.327 3800.0 607.3444 9500.0 632.3433 74000.0 633.3447 9700.0 650.3536 14000.0 651.3572 1500.0 685.3541 6600.0 703.381 1900.0 721.3916 7200.0 722.3947 1200.0 778.4125 1800.0 798.4387 12000.0 799.4412 1400.0 822.4384 1800.0 941.5116 3400.0 969.5057 1400.0 987.5176 20000.0 988.5196 4300.0 END IONS BEGIN IONS SCANS=383 PEPMASS=990.6449 CHARGE=1 COLLISION_ENERGY=0.0 72.0809 2500.0 86.0965 31000.0 86.0981 1600.0 86.0985 1500.0 115.0752 1200.0 117.0907 3600.0 133.0853 1500.0 175.1322 2000.0 185.1642 1000.0 199.1799 2000.0 213.1596 2300.0 227.1752 6900.0 229.1176 1500.0 233.1741 1400.0 243.1332 1000.0 245.186 2500.0 296.1962 3700.0 296.2209 1500.0 306.2059 2300.0 323.2323 1900.0 324.1913 3400.0 324.2162 16000.0 325.1746 1200.0 326.2434 3000.0 328.1858 11000.0 338.2068 1500.0 342.2019 6200.0 342.2267 5800.0 360.2118 1700.0 380.2169 1200.0 391.2947 5400.0 395.2646 16000.0 408.2121 1900.0 409.2803 8000.0 409.3044 2100.0 410.2639 1500.0 413.2744 1300.0 419.2897 17000.0 423.2594 11000.0 427.3158 1800.0 436.3159 1100.0 437.2769 4700.0 437.3002 22000.0 438.3033 1900.0 441.2698 19000.0 451.2542 1300.0 455.2859 4600.0 455.3105 12000.0 459.2805 3900.0 469.2644 1300.0 504.3785 6800.0 508.3486 12000.0 509.3326 1400.0 518.3578 1100.0 522.3641 4900.0 522.3897 1700.0 532.3736 53000.0 533.3764 6000.0 536.3433 6400.0 536.3674 1800.0 550.3597 1300.0 550.384 29000.0 551.3871 3100.0 552.3019 2900.0 554.3538 18000.0 555.3582 1900.0 568.3695 12000.0 568.3946 10000.0 569.3726 1300.0 569.3962 1100.0 572.3638 2000.0 574.3588 1500.0 619.403 2500.0 621.4326 12000.0 622.4148 1100.0 631.4417 33000.0 632.4446 4200.0 637.4158 8500.0 647.3997 2700.0 648.384 2900.0 649.4264 2100.0 649.4521 23000.0 650.4558 2800.0 652.4638 1100.0 663.4685 2100.0 665.3847 1000.0 665.4106 12000.0 666.4145 1700.0 667.4376 180000.0 668.4407 20000.0 691.4637 3200.0 693.4059 1100.0 718.4738 2700.0 719.4569 2100.0 732.4899 3400.0 733.472 1800.0 734.5425 1100.0 736.4838 1700.0 746.4683 17000.0 747.4699 2000.0 750.501 3400.0 751.4584 1100.0 760.4848 5000.0 761.4675 2900.0 762.5358 17000.0 763.5382 2500.0 764.4788 10000.0 776.5522 1100.0 778.4946 9200.0 804.5467 1800.0 831.5577 9900.0 832.5372 4200.0 845.5737 1400.0 846.5593 1400.0 849.5683 3100.0 859.5519 14000.0 860.5518 1700.0 863.5845 3100.0 873.5705 3600.0 874.5531 1700.0 875.6196 1000.0 877.5631 22000.0 878.5652 3500.0 887.5479 1100.0 891.5787 16000.0 892.5815 2000.0 903.6146 2100.0 905.5561 2500.0 944.6415 3000.0 945.6248 4400.0 946.6571 1200.0 962.6524 25000.0 963.6555 5300.0 972.6367 18000.0 973.6391 4200.0 990.6472 180000.0 991.6505 38000.0 END IONS BEGIN IONS SCANS=384 PEPMASS=994.644 CHARGE=1 COLLISION_ENERGY=0.0 70.6886 1500.0 71.3545 1700.0 72.081 1800.0 74.5198 1500.0 78.0831 1500.0 84.0446 3200.0 85.5634 1500.0 86.0964 38000.0 88.7406 1600.0 89.0598 1700.0 91.5083 3300.0 91.7528 1600.0 95.9284 1600.0 97.3302 1600.0 102.9564 1700.0 115.4476 2000.0 116.206 1700.0 116.3136 1700.0 117.0909 1900.0 125.3315 1700.0 130.0494 1900.0 142.5042 1700.0 175.132 2100.0 176.3522 1800.0 185.1638 3400.0 199.1799 7600.0 199.8699 1800.0 201.1228 7900.0 213.1595 19000.0 220.0605 1800.0 227.1752 18000.0 229.1181 19000.0 231.1695 4200.0 236.0601 1700.0 243.1333 2000.0 245.1852 25000.0 252.9945 2100.0 255.1328 1700.0 256.8867 1700.0 277.239 1800.0 283.1639 1600.0 298.212 11000.0 299.1711 1800.0 300.1552 20000.0 310.2 2200.0 311.1948 2000.0 312.0126 1800.0 312.2273 11000.0 313.1382 2900.0 324.2161 20000.0 326.2426 3100.0 328.1858 25000.0 328.2116 1800.0 338.2318 21000.0 340.2581 2900.0 342.2023 12000.0 342.2267 14000.0 343.2948 5100.0 346.3529 1700.0 356.2423 11000.0 357.3092 2300.0 358.2691 2200.0 360.2122 25000.0 361.2148 2600.0 367.2333 9100.0 381.2486 7600.0 385.2435 4600.0 391.3434 2000.0 395.2283 11000.0 395.2638 4900.0 399.4923 2300.0 409.2441 14000.0 409.2811 1700.0 411.712 1900.0 413.2387 92000.0 413.2749 4000.0 414.2411 6200.0 414.2578 2900.0 423.2594 6000.0 423.2845 29000.0 424.2875 4000.0 426.2207 2300.0 427.2543 71000.0 428.2588 3200.0 431.2497 22000.0 433.3058 2200.0 437.2999 4100.0 441.2704 38000.0 441.2951 30000.0 441.4867 1800.0 443.3215 2800.0 451.3159 32000.0 454.4144 1900.0 455.2852 6500.0 455.3105 14000.0 459.2806 19000.0 469.3268 36000.0 470.332 2200.0 473.3212 6100.0 476.2911 1800.0 480.3168 12000.0 481.3014 3000.0 487.3367 3900.0 494.3335 15000.0 495.3176 3700.0 497.2594 2500.0 498.328 15000.0 499.3109 3400.0 508.3129 17000.0 508.3476 3700.0 512.3435 12000.0 518.3578 12000.0 522.3278 14000.0 524.3318 2500.0 525.0634 2100.0 526.3228 48000.0 526.3564 2500.0 526.3843 2000.0 527.3257 4800.0 536.3434 4800.0 536.368 34000.0 537.3707 3800.0 538.2855 1800.0 538.3467 2900.0 540.3384 36000.0 540.3629 4500.0 540.3997 5000.0 541.3407 2200.0 544.3322 19000.0 545.3389 1900.0 546.3881 8100.0 547.3916 1900.0 550.3842 2100.0 552.3277 4400.0 554.3535 22000.0 554.379 64000.0 554.4148 5300.0 555.3577 2100.0 555.3824 8500.0 558.3491 7700.0 564.3997 33000.0 566.3424 2100.0 568.3945 26000.0 569.3992 3000.0 570.3377 9600.0 571.4043 2600.0 572.3641 32000.0 582.4104 71000.0 583.414 7300.0 584.3524 4000.0 585.4211 2200.0 593.4017 4900.0 611.4105 7100.0 617.425 19000.0 621.3971 2400.0 623.4007 3900.0 625.4269 3900.0 626.412 3000.0 635.4095 3500.0 635.4365 42000.0 636.4409 5400.0 637.3801 3900.0 637.4163 2800.0 638.6176 1900.0 639.4064 42000.0 643.4005 15000.0 648.2254 2600.0 649.452 5400.0 649.4919 2200.0 651.3954 5800.0 653.4213 33000.0 653.4474 82000.0 654.4256 3400.0 654.4501 10000.0 655.3901 4600.0 655.4285 4100.0 656.4586 2300.0 657.4169 370000.0 658.4205 45000.0 665.4109 9700.0 667.438 3200.0 667.4633 12000.0 668.4663 2900.0 669.4066 11000.0 669.4415 2000.0 671.4327 390000.0 672.4355 50000.0 677.4821 5300.0 679.428 5800.0 683.422 29000.0 685.4483 34000.0 686.4507 5400.0 695.463 2700.0 695.4923 11000.0 697.4372 15000.0 722.4695 9100.0 723.452 6000.0 732.4514 13000.0 736.4837 5900.0 737.4691 7600.0 738.5371 2200.0 746.4699 2200.0 748.5201 7600.0 750.4639 43000.0 751.4663 4600.0 764.4791 16000.0 764.5113 3800.0 766.531 48000.0 767.5347 8100.0 768.4747 37000.0 769.4771 5300.0 780.5486 2600.0 782.4896 21000.0 783.4922 3500.0 792.5096 3500.0 807.5573 3000.0 808.5768 3500.0 810.5203 6200.0 817.5424 5400.0 834.5912 2300.0 835.5529 36000.0 836.5377 9600.0 845.5359 13000.0 850.5505 2500.0 853.5621 5400.0 854.564 2400.0 859.5498 2100.0 863.548 58000.0 864.5518 13000.0 867.5769 5500.0 868.5868 3100.0 877.5642 14000.0 878.5643 2400.0 879.6154 8300.0 881.5577 120000.0 882.5616 20000.0 895.5739 30000.0 896.577 5300.0 905.5927 3400.0 923.6072 3100.0 930.6294 3300.0 948.637 17000.0 949.6196 18000.0 950.6254 4900.0 958.6206 11000.0 966.6471 77000.0 967.6495 14000.0 976.6316 130000.0 977.6353 30000.0 994.6424 610000.0 995.6455 140000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=1004.665 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 3700.0 86.0966 1700.0 87.0441 1000.0 101.0709 2200.0 115.0752 2100.0 117.0911 4700.0 131.0811 1400.0 133.0856 1700.0 175.1329 3200.0 227.1752 1300.0 233.1738 1300.0 296.1967 1500.0 324.1915 1300.0 326.243 1000.0 338.2319 4200.0 342.202 1200.0 356.242 1400.0 395.265 3100.0 409.2806 2300.0 423.2591 1300.0 441.2702 3700.0 451.3161 3300.0 455.2853 1300.0 469.3263 3400.0 508.3487 1500.0 522.3644 1800.0 546.3888 1500.0 554.3538 6800.0 555.3577 1500.0 564.3997 2700.0 568.3699 4600.0 582.4103 4200.0 621.4333 4300.0 651.4318 2800.0 667.438 82000.0 668.4413 9700.0 679.4265 3900.0 681.4803 2000.0 764.5155 1100.0 774.5 1500.0 778.4954 1100.0 792.5107 3000.0 845.5715 1100.0 846.5599 1500.0 891.5808 2500.0 905.5935 5700.0 976.6678 4900.0 977.673 1100.0 986.6527 2700.0 1004.6632 32000.0 1005.6673 8200.0 END IONS BEGIN IONS SCANS=386 PEPMASS=1008.6596 CHARGE=1 COLLISION_ENERGY=0.0 69.7177 2700.0 70.5765 2600.0 70.9614 2500.0 72.081 3500.0 83.6106 2700.0 85.5445 2300.0 86.0965 40000.0 86.0981 5900.0 87.5886 2700.0 90.9795 2900.0 91.5082 5100.0 99.4392 2600.0 108.8911 2700.0 117.0909 6600.0 123.8559 3000.0 125.0106 3100.0 129.3126 2900.0 132.1015 3400.0 137.4077 2800.0 158.2429 3000.0 161.9492 3400.0 186.898 3100.0 188.7232 2900.0 196.4027 2800.0 198.3271 2900.0 199.18 11000.0 201.1229 6700.0 223.435 3100.0 227.1753 39000.0 229.1181 20000.0 243.1331 4800.0 245.1857 24000.0 246.5781 2800.0 274.053 3500.0 274.786 3600.0 296.1961 3800.0 297.1813 3400.0 300.1911 5000.0 311.1955 5900.0 324.2163 45000.0 326.2433 24000.0 327.3474 2900.0 328.1858 36000.0 338.2327 3800.0 341.7073 3100.0 342.202 24000.0 342.2272 24000.0 343.2956 4100.0 344.2536 4500.0 344.5668 3100.0 358.2681 3700.0 360.2119 33000.0 382.8618 3400.0 395.2642 24000.0 408.422 4000.0 409.2798 5000.0 409.3051 3800.0 413.2739 11000.0 417.5476 3200.0 419.2891 8100.0 423.2595 30000.0 427.2545 4100.0 437.2751 8100.0 437.3005 53000.0 438.3047 3500.0 440.5927 3200.0 441.27 190000.0 442.2737 15000.0 455.287 20000.0 455.3108 82000.0 456.3149 5000.0 457.2535 9000.0 457.3372 8700.0 459.2804 38000.0 473.2955 4500.0 473.3214 12000.0 507.2804 4300.0 508.348 31000.0 509.3333 6300.0 509.3506 3800.0 519.4005 3300.0 522.39 6000.0 524.308 3200.0 524.3297 4700.0 525.2917 5500.0 526.3589 20000.0 532.3733 29000.0 533.3765 5400.0 536.3435 30000.0 536.3669 6000.0 540.3995 10000.0 542.3409 6300.0 550.3838 73000.0 551.3876 9400.0 552.3276 6800.0 554.3542 83000.0 555.3572 12000.0 568.3695 11000.0 568.3945 180000.0 569.3979 22000.0 570.3369 18000.0 570.4211 5500.0 572.3647 56000.0 573.3674 6000.0 573.8212 3200.0 586.3803 18000.0 587.3833 3100.0 631.4404 19000.0 637.4163 11000.0 639.4414 6700.0 649.4275 6900.0 649.4523 56000.0 650.4302 3800.0 650.4563 7600.0 651.3951 11000.0 653.4841 5400.0 655.4268 7600.0 665.4111 30000.0 667.4373 80000.0 667.4634 100000.0 668.4404 4700.0 668.4672 8600.0 669.405 8100.0 671.4329 18000.0 681.4796 26000.0 682.481 3500.0 683.4218 60000.0 684.4259 9600.0 685.4484 850000.0 686.4518 110000.0 698.503 5900.0 736.4857 6400.0 737.4673 15000.0 746.4688 13000.0 750.4979 4200.0 754.4931 3700.0 762.5369 8700.0 764.4792 32000.0 765.4839 4600.0 778.4968 18000.0 780.5468 51000.0 781.5509 5900.0 782.4895 43000.0 783.4928 7900.0 794.5619 6600.0 796.5051 22000.0 797.5084 6500.0 808.3832 3300.0 831.5573 5200.0 849.5682 36000.0 850.5489 17000.0 859.5553 9800.0 860.5591 3500.0 867.576 5000.0 877.5639 62000.0 878.5665 11000.0 891.5783 16000.0 893.6304 6800.0 895.5739 110000.0 896.5779 20000.0 909.5909 37000.0 910.5911 5700.0 962.6518 18000.0 963.6355 17000.0 964.6354 5600.0 972.6371 11000.0 980.6631 75000.0 981.6667 12000.0 990.6478 150000.0 991.6519 24000.0 1008.6582 610000.0 1009.6616 140000.0 1012.1671 5500.0 1012.9461 5000.0 END IONS BEGIN IONS SCANS=387 PEPMASS=1008.6591 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 2100.0 229.1184 1200.0 328.1861 1600.0 342.2013 1100.0 360.2125 1300.0 423.2589 1200.0 437.3003 1700.0 441.2702 7800.0 455.3107 3100.0 527.3434 1200.0 536.3436 1300.0 550.3851 2200.0 554.353 2800.0 568.3952 4900.0 572.3646 1200.0 667.4368 2100.0 667.4626 3800.0 671.4341 2200.0 681.4783 1200.0 683.4211 2400.0 685.4485 26000.0 686.4522 3100.0 764.4778 1200.0 778.4928 1500.0 780.5458 1600.0 782.4879 1600.0 796.5038 1400.0 849.5657 1300.0 877.5626 2000.0 895.5729 4000.0 909.5873 1700.0 980.663 2200.0 990.6448 3900.0 1008.655 20000.0 1009.6578 4200.0 END IONS BEGIN IONS SCANS=388 PEPMASS=1008.696 CHARGE=1 COLLISION_ENERGY=0.0 283.1648 1600.0 311.196 1200.0 371.3257 1500.0 392.2534 1500.0 396.2478 2100.0 414.259 2300.0 441.2702 1200.0 483.3419 1400.0 525.2911 2800.0 527.3431 2600.0 572.3647 1200.0 596.4261 1200.0 599.4367 2200.0 622.4413 1100.0 638.3767 2200.0 640.4259 1400.0 685.4474 1800.0 698.5039 1600.0 765.5009 3000.0 777.5711 1100.0 848.6093 1500.0 876.6415 2800.0 878.5822 4100.0 879.5833 1100.0 923.6056 2200.0 947.6752 1100.0 991.6661 4500.0 992.67 1100.0 1008.696 20000.0 1009.6982 4600.0 END IONS BEGIN IONS SCANS=389 PEPMASS=1011.6677 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 2400.0 86.097 5000.0 87.0444 2200.0 89.0601 3300.0 99.0807 2500.0 115.0756 3200.0 117.0912 13000.0 133.0859 4500.0 153.1016 1100.0 157.1224 2100.0 175.1328 6600.0 177.1124 1600.0 199.1808 1700.0 227.1751 3000.0 228.1793 1800.0 229.1191 1500.0 233.1745 3600.0 245.1859 2200.0 291.2156 2000.0 300.1554 1600.0 324.2174 1500.0 328.1859 1100.0 342.203 1500.0 352.2487 1400.0 360.2132 1800.0 361.2164 1500.0 413.2388 4800.0 414.2424 5500.0 415.245 2100.0 432.2527 1200.0 437.302 1300.0 438.3046 1400.0 439.307 1200.0 441.2704 3700.0 442.274 6000.0 443.2755 2300.0 455.3106 2000.0 456.2898 1100.0 456.315 3200.0 457.3164 2000.0 460.2841 1200.0 465.333 1500.0 466.3366 1600.0 467.3388 1400.0 481.3216 1000.0 483.3426 1300.0 484.3454 2100.0 485.3484 1700.0 526.3253 1800.0 527.3267 1900.0 528.3293 1700.0 550.3854 1300.0 551.3865 2100.0 552.3915 1400.0 554.3551 1500.0 555.3586 1800.0 556.3614 1400.0 568.3968 1700.0 569.3982 5400.0 570.4008 5600.0 573.3698 1000.0 579.4196 1400.0 597.4281 3900.0 598.4317 3800.0 599.4363 1200.0 640.4106 2100.0 641.4119 2300.0 650.4573 1300.0 651.4585 2900.0 652.4634 1000.0 657.4167 6600.0 658.4204 18000.0 659.4229 20000.0 660.4263 6000.0 667.4622 1100.0 668.4672 5000.0 669.4435 1300.0 669.4703 6000.0 670.4737 1300.0 672.4363 2700.0 673.4386 3600.0 684.427 1100.0 685.4511 5100.0 686.4523 17000.0 687.4547 22000.0 688.4573 5600.0 713.4611 1200.0 739.4741 1000.0 765.4831 1400.0 766.4869 3200.0 781.5508 1400.0 782.5546 3500.0 783.4937 1700.0 783.5555 1100.0 784.4962 3500.0 785.4996 1300.0 798.5124 1000.0 851.5767 2500.0 861.5591 1200.0 878.5662 1100.0 879.5696 4000.0 880.5732 3200.0 896.5776 2900.0 897.5808 10000.0 898.5836 4600.0 911.5971 2000.0 964.6589 1600.0 965.645 1200.0 974.6446 1000.0 982.6691 7600.0 983.6714 3300.0 992.6534 13000.0 993.6579 7200.0 1010.6643 52000.0 1011.6676 33000.0 1012.672 2600.0 END IONS BEGIN IONS SCANS=390 PEPMASS=1016.6249 CHARGE=1 COLLISION_ENERGY=0.0 85.0763 1300.0 87.0443 1900.0 89.0603 1100.0 91.5079 2700.0 95.8273 1000.0 99.2276 1000.0 112.9202 2200.0 112.9953 1000.0 117.0911 5300.0 133.0858 1700.0 175.1143 1000.0 175.1328 3000.0 218.4972 1000.0 225.3711 1100.0 233.175 1800.0 254.2785 1100.0 263.8625 1100.0 264.1443 1000.0 286.4408 1100.0 363.4118 1100.0 441.3021 1100.0 492.4868 1000.0 518.1382 1200.0 589.2247 1100.0 616.8002 1100.0 647.4012 1200.0 772.4455 1700.0 795.6309 1100.0 841.1572 1200.0 903.5381 1300.0 959.5533 2200.0 1012.1466 1500.0 1015.2086 1200.0 1015.6524 7300.0 1016.624 1600000.0 1017.6272 310000.0 END IONS BEGIN IONS SCANS=391 PEPMASS=1018.6809 CHARGE=1 COLLISION_ENERGY=0.0 85.0762 1600.0 86.0966 3400.0 89.0598 1300.0 117.0911 3400.0 133.0856 1200.0 175.1326 1600.0 227.1747 1800.0 233.1734 1000.0 296.1963 1100.0 342.2017 2000.0 352.2475 3300.0 370.2584 1000.0 395.2638 1900.0 409.2805 3200.0 437.2751 2000.0 441.2701 3100.0 455.2865 2500.0 465.3314 2500.0 469.3264 1000.0 483.343 2500.0 508.3478 1600.0 522.3647 2100.0 546.389 2700.0 554.3536 4600.0 564.3992 1900.0 568.3696 5300.0 578.415 2300.0 596.425 2900.0 621.4315 3600.0 659.4737 1700.0 665.4474 2500.0 667.4377 62000.0 668.441 7600.0 677.4841 2500.0 681.4528 5500.0 693.4418 3100.0 695.4926 2500.0 747.4881 1100.0 774.5016 2000.0 788.5156 1400.0 790.5677 1100.0 792.5106 1600.0 806.5266 1600.0 859.5895 1600.0 860.5742 1400.0 887.5841 1800.0 891.615 1100.0 905.5945 5300.0 906.5983 1200.0 919.6113 4100.0 973.6573 1300.0 990.6838 5200.0 991.6884 1400.0 1000.6681 2300.0 1018.6785 36000.0 1019.6816 8300.0 END IONS BEGIN IONS SCANS=392 PEPMASS=1018.6821 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4000.0 91.5061 1600.0 117.0912 2400.0 328.1866 1200.0 352.248 2100.0 395.2652 1500.0 409.2807 1300.0 423.26 1300.0 441.2717 2000.0 447.3214 1400.0 465.3328 2700.0 554.3539 2800.0 560.4048 4900.0 568.3709 1300.0 578.4164 3000.0 596.4266 1300.0 659.4744 3100.0 667.4383 17000.0 668.4409 2400.0 677.4842 2100.0 693.4437 1500.0 774.501 1900.0 790.5684 1800.0 792.5115 1200.0 905.5941 2500.0 919.6117 1300.0 990.6847 3400.0 1000.6709 2400.0 1018.6796 18000.0 1019.6833 3800.0 END IONS BEGIN IONS SCANS=393 PEPMASS=1018.6796 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3800.0 328.1868 1300.0 352.2477 2000.0 395.2646 2000.0 423.2599 1300.0 441.2714 1800.0 447.322 1600.0 465.3312 2200.0 483.3423 1100.0 508.3499 1500.0 554.3534 2000.0 560.4051 6000.0 568.3698 1400.0 578.415 3600.0 596.4268 1400.0 621.4337 1300.0 659.4732 3200.0 665.4478 1400.0 667.4377 16000.0 668.4402 1400.0 677.4843 3700.0 693.4435 1200.0 774.5012 2100.0 790.5678 1900.0 792.5117 1100.0 806.5248 1100.0 887.5836 1400.0 905.5957 3200.0 919.6086 1600.0 990.6835 2800.0 1000.6682 1600.0 1018.6788 17000.0 1019.6833 3300.0 END IONS BEGIN IONS SCANS=394 PEPMASS=1018.6808 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 3800.0 328.1868 1300.0 352.2477 2000.0 395.2646 2000.0 423.2599 1300.0 441.2714 1800.0 447.322 1600.0 465.3312 2200.0 483.3423 1100.0 508.3499 1500.0 554.3534 2000.0 560.4051 6000.0 568.3698 1400.0 578.415 3600.0 596.4268 1400.0 621.4337 1300.0 659.4732 3200.0 665.4478 1400.0 667.4377 16000.0 668.4402 1400.0 677.4843 3700.0 693.4435 1200.0 774.5012 2100.0 790.5678 1900.0 792.5117 1100.0 806.5248 1100.0 887.5836 1400.0 905.5957 3200.0 919.6086 1600.0 990.6835 2800.0 1000.6682 1600.0 1018.6788 17000.0 1019.6833 3300.0 END IONS BEGIN IONS SCANS=395 PEPMASS=1020.6591 CHARGE=1 COLLISION_ENERGY=0.0 71.6443 2700.0 72.0811 3600.0 77.5276 2400.0 78.6155 2300.0 86.0965 54000.0 94.6956 3200.0 94.8779 2900.0 101.1055 2500.0 105.7135 2400.0 109.1158 3100.0 112.2871 2400.0 117.0907 8500.0 120.691 2700.0 121.2262 2800.0 129.2738 2700.0 130.0497 3500.0 132.1015 4300.0 133.8088 2400.0 137.2879 2700.0 143.0491 2800.0 147.8001 3100.0 151.2115 2400.0 156.2871 2700.0 159.8601 2700.0 175.132 3200.0 183.1124 5900.0 186.5029 2600.0 188.8178 3200.0 199.1803 14000.0 201.1229 11000.0 207.0462 4600.0 207.1743 2600.0 213.1592 7600.0 215.1027 3100.0 227.1752 68000.0 228.1781 3300.0 229.1185 32000.0 231.1705 3100.0 233.1739 3700.0 243.1335 6300.0 245.1853 35000.0 253.0449 2600.0 281.2215 3800.0 283.1644 3800.0 296.196 7900.0 308.221 3500.0 309.9383 3200.0 311.1954 8800.0 316.2976 2800.0 320.2587 2900.0 324.1906 4200.0 325.1752 5100.0 326.2429 39000.0 328.1859 53000.0 328.198 3700.0 328.2003 2500.0 336.2162 61000.0 340.5288 3000.0 341.627 2700.0 342.2018 38000.0 344.2538 3100.0 354.2268 37000.0 355.2948 11000.0 356.181 3200.0 356.2782 4300.0 358.2696 3800.0 360.2123 48000.0 367.594 3100.0 394.1968 3800.0 395.2647 33000.0 396.2486 5300.0 396.2675 5400.0 402.8448 3100.0 403.295 3700.0 409.2802 5700.0 413.2758 15000.0 414.2592 8600.0 421.3048 4000.0 423.2594 49000.0 424.2633 3700.0 431.2896 9500.0 437.2754 9500.0 439.3154 7700.0 440.337 2800.0 441.2702 290000.0 442.2741 16000.0 447.2299 2900.0 449.3002 99000.0 450.3043 3200.0 455.2859 34000.0 457.3378 9300.0 459.2805 48000.0 467.3111 130000.0 468.3133 12000.0 469.2538 11000.0 471.3533 3800.0 473.2953 5400.0 485.3212 18000.0 491.8595 3100.0 507.281 5200.0 508.3487 43000.0 509.3323 9300.0 509.3516 3200.0 525.2914 8600.0 526.359 36000.0 527.3431 4900.0 527.3616 3200.0 534.3885 8900.0 534.408 3200.0 536.3445 46000.0 544.3734 36000.0 548.3668 4100.0 552.3016 10000.0 552.3995 23000.0 554.3539 130000.0 555.3576 13000.0 562.384 120000.0 563.3872 9400.0 564.3278 8000.0 566.3797 8600.0 568.3216 5400.0 568.3691 15000.0 569.3712 3800.0 570.4213 7200.0 572.3643 66000.0 573.3674 6300.0 580.3947 250000.0 581.3975 25000.0 582.3368 25000.0 583.4043 5900.0 584.4111 4000.0 586.3804 28000.0 587.3821 3800.0 590.3797 3100.0 597.4196 4600.0 619.3818 3100.0 621.4327 7400.0 622.4161 3400.0 638.3754 4300.0 639.4423 17000.0 640.4249 5200.0 643.4421 27000.0 644.443 4700.0 649.418 15000.0 661.4521 74000.0 662.4561 11000.0 663.3959 12000.0 665.4852 11000.0 667.4384 110000.0 668.4409 13000.0 673.4661 2800.0 675.4685 9700.0 677.4118 36000.0 678.4154 3700.0 679.4631 170000.0 680.4658 28000.0 681.4065 11000.0 682.4769 4600.0 685.4484 1100000.0 686.4516 150000.0 693.4789 26000.0 694.4826 3600.0 695.4211 70000.0 696.4242 11000.0 703.4626 5700.0 710.5046 4700.0 721.4734 8300.0 731.4592 5200.0 748.485 13000.0 749.4689 30000.0 750.4706 4000.0 758.4696 21000.0 762.5003 10000.0 764.5519 6700.0 766.4946 4400.0 772.4853 5500.0 774.5331 12000.0 775.5396 4800.0 776.4794 54000.0 777.4841 10000.0 780.5117 5000.0 790.4952 29000.0 791.498 4200.0 792.5466 77000.0 793.5504 16000.0 794.4902 61000.0 795.4922 15000.0 806.5632 7900.0 808.5065 34000.0 843.5583 7300.0 844.5405 3900.0 858.5588 3400.0 860.6122 3300.0 861.568 36000.0 862.5497 30000.0 863.5555 5200.0 871.5527 15000.0 872.5544 3200.0 875.5822 4500.0 879.5773 8200.0 880.5861 4100.0 889.5637 90000.0 890.5674 20000.0 893.5944 8800.0 903.5786 21000.0 904.5819 5200.0 905.6299 12000.0 907.5741 170000.0 908.5772 32000.0 917.5591 4200.0 921.5899 54000.0 922.5922 9400.0 957.6273 3600.0 974.6519 19000.0 975.6357 25000.0 976.6414 4200.0 984.6375 14000.0 992.6631 120000.0 993.666 23000.0 1002.6472 180000.0 1003.6501 47000.0 1019.6346 3500.0 1020.658 780000.0 1021.661 190000.0 END IONS BEGIN IONS SCANS=396 PEPMASS=1022.5546 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 12000.0 120.0806 6500.0 171.1127 1200.0 221.1283 2200.0 233.1645 1300.0 249.1231 4500.0 261.1591 2100.0 272.1599 2200.0 282.1807 4100.0 284.1597 3600.0 290.1705 2300.0 303.1699 65000.0 304.1734 3300.0 330.1806 3600.0 334.2122 1400.0 344.1961 14000.0 348.1915 1100.0 353.2172 1300.0 355.1967 2400.0 355.2331 1100.0 362.2064 6600.0 365.2181 1100.0 373.2072 5800.0 383.228 6500.0 401.2029 1300.0 422.2433 6400.0 427.2337 1200.0 431.2281 17000.0 432.2311 1300.0 443.2648 4600.0 444.2819 1100.0 450.238 65000.0 451.2414 5700.0 454.2655 7700.0 461.2746 1800.0 472.2757 10000.0 505.2807 2400.0 507.2597 7800.0 508.2621 1100.0 512.2858 1700.0 523.2904 3300.0 526.3016 4900.0 530.2975 2700.0 533.2748 61000.0 534.2775 7200.0 537.3026 2300.0 544.3121 13000.0 551.2854 40000.0 552.2888 3800.0 555.3121 6200.0 573.3231 39000.0 574.3268 3900.0 601.3338 4300.0 604.3487 1900.0 606.3273 2700.0 625.3688 3200.0 632.3431 70000.0 633.3464 9100.0 643.3802 5300.0 650.3538 8100.0 651.3568 1000.0 684.3695 1000.0 692.3969 1400.0 696.4073 1400.0 702.3812 6900.0 714.4177 5500.0 715.3801 4000.0 720.3914 77000.0 721.3943 9600.0 733.3906 10000.0 734.3947 1300.0 751.4002 1300.0 804.465 3600.0 805.4811 2200.0 814.4476 1400.0 815.4649 11000.0 816.468 1800.0 832.459 13000.0 833.4754 170000.0 834.4785 29000.0 849.4848 1200.0 852.4492 4900.0 903.4958 12000.0 904.5009 2300.0 923.4867 2400.0 951.5151 2200.0 994.5609 4000.0 1004.5433 17000.0 1005.5459 3300.0 1022.5545 22000.0 1023.5582 4300.0 END IONS BEGIN IONS SCANS=397 PEPMASS=1022.6386 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 2300.0 227.1636 1300.0 227.175 5700.0 229.1178 3300.0 245.1859 2600.0 326.2431 3300.0 328.1859 4500.0 338.1956 12000.0 342.2018 3200.0 356.2062 5400.0 360.2122 4700.0 395.2648 3200.0 413.2745 1300.0 423.2597 4900.0 433.2689 3300.0 441.2702 29000.0 442.2737 2000.0 451.2794 12000.0 455.2863 4400.0 457.3379 1200.0 459.2809 5800.0 469.2901 18000.0 473.2968 1200.0 487.3011 3600.0 508.3485 4500.0 509.3333 1100.0 526.3586 3600.0 536.3433 6200.0 546.3529 4400.0 554.3539 16000.0 554.3796 2100.0 555.3561 1100.0 564.3633 13000.0 565.3682 1100.0 568.3694 1700.0 572.3643 6700.0 582.374 31000.0 583.3778 3200.0 584.3169 2100.0 586.379 2800.0 639.4424 1200.0 645.4215 3300.0 649.4273 1200.0 651.3954 1400.0 663.4316 9700.0 664.4348 1600.0 667.4378 17000.0 668.4407 1500.0 679.3903 3500.0 681.4421 22000.0 682.4452 3000.0 683.3868 1400.0 685.4485 170000.0 686.4515 20000.0 695.4573 3600.0 697.4007 8200.0 750.464 1600.0 751.4477 2800.0 760.4465 1800.0 776.5183 2900.0 778.4583 7800.0 792.4745 2800.0 794.5259 8600.0 795.5301 1300.0 796.4695 8600.0 797.4734 1700.0 808.5431 1300.0 810.4835 4000.0 845.5351 1400.0 863.5496 4400.0 864.5282 2500.0 873.5308 2600.0 891.5433 12000.0 892.5449 2500.0 905.5576 2800.0 907.6098 2000.0 909.5531 22000.0 910.5554 5100.0 923.5688 8300.0 924.5735 1100.0 976.6328 3300.0 977.6166 3900.0 986.6168 2800.0 994.6412 13000.0 995.648 2900.0 1004.6266 33000.0 1005.6301 7300.0 1022.6372 130000.0 1023.6407 31000.0 END IONS BEGIN IONS SCANS=398 PEPMASS=1022.638 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 13000.0 117.0911 2400.0 175.1324 1700.0 199.1798 2200.0 201.123 2400.0 227.1751 8800.0 229.1183 5800.0 245.1855 9800.0 320.1855 3400.0 326.2431 4500.0 328.1863 12000.0 338.1952 4900.0 342.2016 4500.0 356.206 4000.0 358.2689 1000.0 360.2123 8000.0 395.265 3700.0 413.2751 2100.0 414.2596 2100.0 423.2592 4600.0 423.2841 3000.0 433.2687 2000.0 437.2757 1100.0 441.27 38000.0 442.2735 3000.0 451.2795 40000.0 452.2831 2900.0 453.2233 1100.0 455.2852 4300.0 457.3376 1700.0 459.2802 12000.0 469.29 15000.0 470.2931 1400.0 473.2962 1900.0 508.3494 4300.0 526.3589 4400.0 536.3428 3500.0 536.3685 8100.0 538.3109 1000.0 546.3516 4300.0 550.3474 1500.0 554.3536 16000.0 555.3573 1600.0 564.3634 69000.0 565.3668 8200.0 566.3049 2500.0 568.3698 2000.0 572.3641 11000.0 573.3666 1500.0 582.3738 24000.0 583.3773 2300.0 586.3799 4500.0 639.4423 1100.0 645.4224 3000.0 649.4266 1300.0 651.3939 1100.0 663.4316 44000.0 664.434 5800.0 667.4374 13000.0 668.4402 1600.0 677.4481 1500.0 679.3893 2800.0 681.4417 15000.0 682.4446 2300.0 685.4482 150000.0 686.4515 19000.0 695.4565 1900.0 697.401 3700.0 705.4404 1000.0 751.4479 1700.0 760.4482 1800.0 776.5134 1300.0 778.4583 8600.0 779.4612 1600.0 790.5294 1000.0 792.4739 2000.0 794.5257 4000.0 796.4681 4100.0 810.4846 2600.0 862.5901 1100.0 863.5471 3400.0 864.5345 2000.0 891.5416 9700.0 892.5453 2400.0 905.5565 2200.0 909.5521 12000.0 910.5556 1900.0 923.5667 5300.0 976.6304 1700.0 977.6132 2100.0 994.6414 10000.0 995.6495 2100.0 1004.626 18000.0 1005.6277 3200.0 1022.6366 69000.0 1023.6387 13000.0 END IONS BEGIN IONS SCANS=399 PEPMASS=1022.6775 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 6700.0 91.5081 1300.0 115.0751 1400.0 117.0906 4900.0 175.1323 2900.0 199.1801 2400.0 201.1228 1900.0 227.1754 9700.0 229.1181 4700.0 233.174 1700.0 245.1856 6700.0 326.2433 5400.0 328.1862 7100.0 338.2316 8900.0 340.2588 1300.0 342.2014 4900.0 356.2426 4400.0 357.3104 3100.0 360.2121 5300.0 395.2646 4200.0 413.2746 2000.0 423.2592 5300.0 433.3062 1000.0 437.2749 1300.0 437.3006 1100.0 441.27 36000.0 441.3313 1500.0 442.2731 1900.0 451.3159 11000.0 452.3185 1300.0 455.2855 9800.0 457.337 1900.0 459.2802 4800.0 469.3266 17000.0 470.3286 1200.0 471.2692 1300.0 487.3365 1500.0 507.2799 1400.0 508.349 3800.0 509.3323 1800.0 525.2906 2300.0 526.3585 5200.0 536.3426 5200.0 546.3892 4300.0 552.3016 1200.0 554.3541 26000.0 554.4142 3700.0 555.3573 2600.0 564.4 12000.0 565.4036 1300.0 568.3708 1400.0 568.3946 2700.0 570.4225 1700.0 572.3644 8000.0 575.5016 1400.0 582.41 31000.0 583.4142 3400.0 584.3535 4100.0 586.379 3100.0 638.3733 1700.0 639.4429 1000.0 645.4575 3500.0 649.4276 1200.0 651.4304 2500.0 663.4684 10000.0 665.4111 1600.0 667.4379 12000.0 667.4994 1900.0 668.4418 1400.0 669.4438 2100.0 677.4842 1500.0 679.4271 5700.0 681.4786 16000.0 682.4824 1400.0 683.4216 1400.0 685.4483 170000.0 686.4514 21000.0 695.4929 6000.0 696.498 1300.0 697.4371 15000.0 699.4273 1400.0 699.4639 4200.0 750.4996 1500.0 751.4842 2600.0 760.4854 2300.0 764.5165 2600.0 766.5664 1100.0 774.5003 1400.0 776.5533 3900.0 777.5549 1200.0 778.495 7800.0 792.5103 5700.0 794.5624 15000.0 795.5681 2500.0 796.5056 9900.0 797.5082 1000.0 808.5771 2800.0 810.5208 7200.0 845.5738 2200.0 862.6251 1600.0 863.5841 11000.0 864.569 3100.0 873.5702 2900.0 881.5961 2100.0 891.5792 18000.0 892.5807 3400.0 895.6093 1400.0 905.5946 3100.0 907.6466 3900.0 909.5897 28000.0 910.5938 4200.0 923.6049 12000.0 924.6082 1900.0 976.6684 4200.0 977.6503 3600.0 986.6559 2500.0 994.6791 22000.0 995.6804 4700.0 1004.6642 31000.0 1005.6659 7200.0 1022.6739 160000.0 1023.6774 36000.0 END IONS BEGIN IONS SCANS=400 PEPMASS=1022.675 CHARGE=1 COLLISION_ENERGY=0.0 84.0447 1200.0 86.0965 9200.0 89.0597 1400.0 117.0908 5900.0 130.0498 1000.0 133.0856 1800.0 175.133 2700.0 199.1805 4600.0 201.1228 2100.0 227.1753 12000.0 229.1181 5400.0 233.1742 1600.0 245.1858 8500.0 310.2004 1400.0 311.1955 1200.0 326.2432 6600.0 328.186 9800.0 338.232 11000.0 340.2582 1200.0 342.2019 5800.0 356.2421 4700.0 357.31 3200.0 360.212 8400.0 392.2534 1600.0 395.2648 5900.0 413.2751 2300.0 423.2596 7300.0 423.2842 1900.0 433.3055 1600.0 437.2754 1300.0 441.2702 49000.0 441.295 2300.0 441.33 2700.0 442.2736 3800.0 451.3162 14000.0 455.2854 11000.0 457.3382 2700.0 459.2807 7400.0 469.3267 21000.0 470.3295 1100.0 471.2699 1500.0 473.2958 1200.0 487.3371 1700.0 507.2808 1500.0 508.3484 5500.0 509.3329 1600.0 525.292 2400.0 526.3592 7400.0 536.3435 5600.0 536.3688 2300.0 536.4042 1300.0 537.3478 1100.0 538.3487 1400.0 546.3896 6600.0 552.3016 1900.0 554.3542 34000.0 554.3787 3400.0 554.4147 3300.0 555.3578 3600.0 555.3823 1300.0 564.3998 17000.0 565.4048 1500.0 566.3438 2300.0 568.3696 2300.0 568.3945 1300.0 570.4225 1400.0 572.3644 12000.0 582.4105 35000.0 583.4142 3600.0 584.3533 4600.0 586.3802 5300.0 635.4387 1100.0 638.3747 3300.0 639.4424 1600.0 645.4573 4500.0 649.4273 1100.0 651.4314 2500.0 653.4474 2900.0 663.468 9900.0 664.4726 1600.0 665.4116 1900.0 667.4379 16000.0 667.4992 2200.0 668.4426 2700.0 669.4433 3000.0 677.4862 2200.0 679.4271 4800.0 681.4785 18000.0 682.481 2500.0 683.4221 2400.0 685.4485 220000.0 686.4514 30000.0 695.4943 7500.0 697.4374 15000.0 698.4389 2400.0 750.5005 1200.0 751.4866 2600.0 760.486 4100.0 764.5145 2700.0 766.5661 1300.0 774.4975 1300.0 776.5523 5200.0 778.4951 7900.0 779.4991 1300.0 792.5099 5200.0 794.5628 21000.0 795.566 3200.0 796.5063 9600.0 797.5089 1800.0 808.5792 2400.0 810.5221 7700.0 811.5227 1300.0 845.5736 2200.0 863.5847 13000.0 864.5673 2400.0 873.5677 3300.0 881.5588 2100.0 881.5957 1800.0 882.5605 1100.0 891.5793 22000.0 892.5834 4200.0 895.6129 2000.0 905.5946 4100.0 907.6461 3900.0 909.59 33000.0 910.5927 5000.0 923.6049 15000.0 924.6107 2700.0 966.6485 1700.0 976.6309 2300.0 976.6758 3000.0 977.6509 5500.0 986.6535 3100.0 994.6409 7700.0 994.6796 23000.0 995.639 6800.0 995.6833 2700.0 996.6474 2800.0 1004.6633 38000.0 1005.666 7400.0 1012.5427 1400.0 1014.5412 2100.0 1022.674 170000.0 1023.6771 37000.0 1030.552 7200.0 1031.554 6400.0 1032.5537 7000.0 1033.5558 2500.0 1047.564 1300.0 1048.5623 21000.0 1049.5652 20000.0 1050.5643 15000.0 1051.5663 4600.0 1052.5596 1500.0 END IONS BEGIN IONS SCANS=401 PEPMASS=1022.6757 CHARGE=1 COLLISION_ENERGY=0.0 72.081 2500.0 75.6539 1000.0 77.1115 1300.0 79.7394 1000.0 84.0447 1500.0 86.0967 29000.0 91.0265 1000.0 91.5059 2100.0 92.9888 1100.0 94.5416 1300.0 107.4175 1200.0 110.0673 1200.0 111.9451 1100.0 117.0909 2700.0 119.2747 1100.0 119.3223 1100.0 121.1205 1000.0 121.546 1100.0 126.9693 1200.0 130.0496 2100.0 132.1015 1700.0 142.8116 1300.0 148.6253 1200.0 169.2837 1100.0 175.1324 1700.0 185.1646 2300.0 199.1807 8000.0 201.1228 3700.0 207.2304 1700.0 213.1595 6800.0 215.1021 2100.0 223.949 1300.0 227.1752 28000.0 229.1182 15000.0 231.1699 2000.0 243.1333 1800.0 245.1855 16000.0 274.4651 1200.0 281.2212 2100.0 283.201 1300.0 286.1647 1100.0 296.1959 3700.0 297.18 1500.0 309.7452 1200.0 310.2371 1300.0 311.1952 1500.0 312.2274 2900.0 314.206 1900.0 324.1911 2600.0 326.2433 17000.0 328.1862 31000.0 329.1882 1300.0 338.2319 21000.0 339.2347 1400.0 342.2017 14000.0 344.2546 2900.0 346.196 1300.0 352.2472 3500.0 356.242 15000.0 357.3101 5600.0 358.2951 1400.0 360.2121 27000.0 363.0982 1200.0 369.461 1600.0 370.2585 2000.0 371.3263 1400.0 377.6278 1400.0 381.2489 1800.0 395.2646 11000.0 396.248 3000.0 403.4828 1200.0 408.2101 1500.0 409.2437 2300.0 409.279 1900.0 410.2636 1900.0 413.2742 7600.0 414.259 2800.0 423.2592 20000.0 423.321 4000.0 427.2543 15000.0 433.3059 4100.0 437.275 3300.0 439.3267 1800.0 441.2701 130000.0 441.3313 2400.0 442.2739 7600.0 451.2555 1800.0 451.316 42000.0 452.3201 1600.0 455.2859 13000.0 457.3377 4000.0 459.2806 24000.0 469.3265 73000.0 470.3301 4400.0 470.395 1900.0 471.2693 4800.0 471.354 2000.0 473.2979 2500.0 483.3421 1400.0 487.337 9300.0 491.1873 1300.0 497.1407 1200.0 501.3503 2600.0 508.3483 20000.0 509.3321 3700.0 509.3517 2200.0 512.3442 2300.0 518.3952 2000.0 522.3282 2200.0 525.2906 3700.0 526.3593 16000.0 526.7714 1500.0 527.3425 3500.0 527.4131 1200.0 536.3431 19000.0 536.4042 3400.0 537.3477 2300.0 538.3475 1500.0 540.3382 6200.0 546.3893 18000.0 547.3914 2300.0 550.3597 1900.0 552.3021 2600.0 554.3537 59000.0 554.4139 9500.0 555.3566 6000.0 556.3584 1600.0 564.3995 51000.0 565.403 4200.0 566.3418 5300.0 568.3699 11000.0 568.3947 3100.0 570.3379 2100.0 570.4213 4600.0 572.3644 31000.0 573.3674 2300.0 582.4102 140000.0 583.4138 13000.0 584.3522 11000.0 585.3577 2000.0 585.4199 3000.0 586.3803 13000.0 596.4244 5300.0 598.3692 2200.0 599.4371 1900.0 607.1931 1200.0 621.4317 4000.0 622.4134 1500.0 633.4203 3400.0 638.3754 2000.0 639.4431 10000.0 640.4274 1900.0 645.4572 14000.0 646.4597 2300.0 649.4262 4900.0 651.4326 7400.0 652.3476 1400.0 653.4221 7000.0 653.4846 1800.0 663.4683 36000.0 664.4721 4400.0 665.3854 2100.0 665.412 2700.0 667.4379 60000.0 667.4991 4800.0 668.4393 8000.0 669.4436 5300.0 671.4326 69000.0 672.4369 9900.0 677.483 3500.0 679.4266 15000.0 681.4783 94000.0 682.4815 12000.0 683.4205 3700.0 685.4482 510000.0 686.4514 65000.0 695.4944 15000.0 697.437 31000.0 698.439 4900.0 711.4535 5000.0 712.521 3000.0 723.4874 1500.0 726.2169 1200.0 732.4907 1800.0 750.4982 5700.0 751.4832 9500.0 760.4844 9000.0 763.5546 1800.0 764.5153 3600.0 765.4992 3400.0 766.5662 2300.0 768.5124 2000.0 774.5004 1700.0 775.4828 2500.0 776.5529 6500.0 777.5558 2100.0 778.4951 29000.0 779.4997 3900.0 780.5787 1500.0 782.5241 2200.0 792.5093 13000.0 794.5626 31000.0 795.5648 4800.0 796.5052 40000.0 797.5088 8200.0 808.5773 5100.0 810.5209 18000.0 811.5255 2000.0 826.9592 1500.0 845.5755 6600.0 846.5556 1700.0 862.624 3400.0 863.5839 21000.0 864.5635 7400.0 865.5725 2000.0 873.5683 4900.0 881.5937 4800.0 887.5836 1500.0 889.6371 1900.0 891.5788 42000.0 892.5828 5500.0 893.6308 1600.0 895.6104 3900.0 905.5951 12000.0 906.5988 2400.0 907.647 6400.0 908.6479 2100.0 909.5895 88000.0 910.5926 18000.0 923.6053 31000.0 924.6075 6500.0 976.6691 10000.0 977.6505 13000.0 978.6544 3300.0 982.122 1400.0 986.6534 8600.0 994.6781 54000.0 995.6802 11000.0 1004.6628 100000.0 1005.6664 22000.0 1022.6733 430000.0 1023.6766 99000.0 END IONS BEGIN IONS SCANS=402 PEPMASS=1024.6545 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1500.0 227.1747 1700.0 245.1854 1100.0 322.2001 1100.0 326.2434 1000.0 328.186 1500.0 340.2112 1200.0 360.2127 2100.0 423.2588 1500.0 435.2855 2000.0 441.2702 10000.0 453.2957 5100.0 455.286 1200.0 459.2808 2100.0 471.3048 1700.0 508.3486 2000.0 526.3588 1600.0 530.3574 2100.0 536.3434 2700.0 538.3856 1000.0 548.3686 5000.0 554.3541 6400.0 566.379 11000.0 567.3833 1500.0 572.3641 2700.0 629.4274 1100.0 647.4376 5500.0 663.3942 1200.0 665.4475 8100.0 667.4379 7000.0 679.4629 1500.0 681.4052 4500.0 685.4484 79000.0 686.4518 9500.0 762.4637 3100.0 776.4776 1600.0 778.5321 3200.0 780.4742 4000.0 794.4893 1700.0 847.5543 3200.0 875.5482 7200.0 876.549 1200.0 893.5578 12000.0 894.5627 2300.0 907.5747 2200.0 961.6226 1500.0 978.6466 6700.0 979.6501 1100.0 988.6318 17000.0 989.6367 3100.0 1006.6425 96000.0 1007.6452 20000.0 1024.6539 6400.0 1025.657 1300.0 END IONS BEGIN IONS SCANS=403 PEPMASS=1024.6524 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7500.0 115.0752 1800.0 117.0911 2700.0 175.1323 1200.0 199.1802 1000.0 227.1752 5600.0 229.1181 3000.0 245.1856 6000.0 310.2118 1100.0 312.1548 1400.0 328.2224 4700.0 330.1651 6000.0 338.2322 5700.0 342.2014 2700.0 352.2478 1100.0 356.2424 3700.0 357.3104 1300.0 360.2119 4900.0 397.2445 2700.0 407.2274 1200.0 415.2548 1800.0 425.2386 9200.0 429.2341 2500.0 433.3058 1000.0 441.2702 1300.0 441.3317 1000.0 443.2492 36000.0 444.2528 2600.0 451.3157 9300.0 457.2646 1700.0 461.2596 8400.0 469.3266 11000.0 470.3298 1100.0 483.3409 1100.0 487.3369 2300.0 510.3278 3900.0 511.3117 1300.0 524.3077 1000.0 527.2693 1100.0 528.3386 5300.0 538.3227 8500.0 542.3173 1600.0 546.3884 2200.0 552.3395 1300.0 554.4149 2300.0 556.3335 15000.0 557.3374 1500.0 564.3995 6800.0 566.3787 1400.0 574.3434 9200.0 575.5025 1800.0 582.4101 19000.0 583.4133 2100.0 584.3528 2600.0 586.3806 1200.0 596.4261 1900.0 623.4117 1000.0 625.3909 1100.0 641.4213 1800.0 647.4374 3500.0 649.3813 1100.0 651.4067 3400.0 651.4324 1200.0 655.4017 2700.0 665.4475 8400.0 666.4501 1000.0 669.4174 22000.0 670.4193 2600.0 673.4119 15000.0 674.4147 1700.0 679.4276 2100.0 683.4583 7300.0 684.4623 1200.0 687.4277 150000.0 688.4313 18000.0 695.4946 3100.0 697.437 6100.0 698.4396 1500.0 701.4434 8500.0 711.454 1300.0 744.452 1500.0 762.464 6000.0 778.5315 5900.0 780.4747 8100.0 796.542 3100.0 798.4845 9300.0 810.5217 2700.0 847.5561 3000.0 865.5629 2300.0 866.5485 1200.0 875.5473 6900.0 893.558 13000.0 894.5613 1700.0 911.5685 21000.0 912.5732 3600.0 923.6055 1900.0 962.6155 1900.0 978.6472 4500.0 979.629 2500.0 980.6237 2900.0 988.6313 8500.0 989.6349 1400.0 996.6578 14000.0 997.6589 3000.0 1006.6423 57000.0 1007.6452 12000.0 1023.6775 1200.0 1024.6527 120000.0 1025.656 27000.0 END IONS BEGIN IONS SCANS=404 PEPMASS=1024.6537 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 6000.0 115.0752 1300.0 117.0912 4600.0 175.1328 2200.0 199.1801 1500.0 201.123 1300.0 227.1751 6200.0 229.1181 2500.0 233.1749 1000.0 245.1855 6000.0 322.2008 2700.0 326.2433 1800.0 328.1863 3600.0 328.2229 2600.0 330.1654 3800.0 338.232 3100.0 340.2111 5300.0 342.2017 3100.0 356.2426 1000.0 358.2218 2200.0 360.2123 4000.0 395.2651 1400.0 397.2434 2000.0 407.2292 1000.0 413.2755 1200.0 415.2549 1000.0 423.2599 2300.0 425.2387 4800.0 426.2226 1100.0 435.2847 6400.0 441.2701 17000.0 442.2735 1600.0 443.2494 18000.0 451.3164 4200.0 453.2951 9200.0 454.2985 1400.0 455.2855 2600.0 459.2802 2800.0 461.2596 5000.0 469.3266 7300.0 471.3059 4700.0 508.3486 1900.0 510.3291 2600.0 525.2916 1300.0 526.3596 2000.0 528.3393 2400.0 536.3423 2600.0 538.3227 4400.0 548.3686 9600.0 554.3535 5800.0 556.3333 9200.0 564.4 4100.0 565.3666 1600.0 566.379 11000.0 568.3693 1000.0 572.3644 4200.0 574.343 4500.0 575.5023 1300.0 582.4104 11000.0 583.4138 1400.0 584.3526 1600.0 584.3901 7500.0 586.3806 1200.0 629.4257 1400.0 647.4368 8400.0 648.4386 1700.0 651.4065 2800.0 663.3963 1100.0 665.4473 11000.0 666.4509 1400.0 667.4373 4300.0 669.4167 11000.0 670.4185 1300.0 671.4329 1800.0 672.4364 2200.0 673.411 2000.0 681.4061 3800.0 683.4576 8000.0 685.4487 30000.0 686.4512 6300.0 687.4277 86000.0 688.4315 11000.0 695.4944 1300.0 697.437 4300.0 699.4172 2200.0 701.4426 1700.0 744.4512 1000.0 753.4645 1100.0 762.4636 6200.0 778.5316 4400.0 780.4742 9300.0 794.489 2000.0 796.542 3800.0 798.485 7000.0 810.5208 1200.0 835.5894 1300.0 847.5521 2300.0 865.5644 3000.0 875.5476 5700.0 876.5494 1400.0 893.5576 14000.0 894.5607 2600.0 907.5707 3100.0 911.5688 16000.0 912.5728 3200.0 925.5845 2000.0 962.6124 1000.0 978.6472 4400.0 979.6349 1600.0 980.6255 1500.0 988.6314 9400.0 989.6362 1300.0 996.658 11000.0 997.6591 2200.0 1006.6423 61000.0 1007.6458 12000.0 1023.6385 1800.0 1023.6866 2200.0 1024.6525 120000.0 1025.6559 26000.0 END IONS BEGIN IONS SCANS=405 PEPMASS=1025.6851 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 4500.0 87.0445 1200.0 89.0601 2600.0 91.5063 1800.0 115.0756 2600.0 117.0911 6500.0 133.0855 2300.0 175.1327 3700.0 177.1121 1200.0 227.1751 3000.0 228.1786 1300.0 229.1183 1600.0 233.1747 2900.0 245.1859 1700.0 328.1869 1700.0 329.1906 1400.0 338.2316 1000.0 339.2362 2000.0 342.2023 1300.0 356.2433 1100.0 360.2121 1400.0 361.2162 1600.0 441.2703 6500.0 442.274 6800.0 443.2758 3600.0 451.3159 2000.0 452.3194 3000.0 453.3221 1100.0 469.326 2500.0 470.3293 4100.0 471.3325 2100.0 554.3539 2700.0 555.3568 3200.0 556.3595 2100.0 565.4036 3000.0 566.4057 2200.0 572.3659 1600.0 573.3684 2200.0 574.371 1500.0 582.41 3700.0 583.4133 5800.0 584.4167 5500.0 585.42 1400.0 647.4633 1000.0 653.4372 1000.0 664.4731 1000.0 665.4749 2700.0 668.441 2900.0 669.4431 2600.0 672.4374 1800.0 681.4341 1100.0 681.4797 1400.0 682.4808 2300.0 683.4841 4100.0 684.488 1200.0 685.4484 9500.0 686.4515 27000.0 687.4545 31000.0 688.4577 7300.0 698.4409 2100.0 699.4402 2400.0 779.4976 1000.0 780.501 1300.0 795.5659 1100.0 796.5684 1500.0 797.5095 1200.0 798.511 2700.0 812.5275 1200.0 865.5888 1300.0 892.5803 1200.0 893.5842 3700.0 894.5872 1300.0 907.6009 1200.0 910.5912 1300.0 911.5956 7000.0 912.5974 2500.0 925.6113 2300.0 926.6169 1200.0 978.6714 1200.0 979.6599 1500.0 980.6621 1000.0 996.6859 5400.0 997.6863 2600.0 1006.6696 9900.0 1007.6729 4500.0 1008.6613 1000.0 1024.6796 41000.0 1025.6824 22000.0 1026.6846 1500.0 END IONS BEGIN IONS SCANS=406 PEPMASS=1026.6148 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7500.0 87.0444 1500.0 89.0599 1900.0 104.0528 1400.0 115.0754 1500.0 117.0911 4000.0 175.1326 3200.0 201.1231 2000.0 217.1369 2800.0 227.1747 2000.0 229.1179 4300.0 233.1747 1800.0 245.1312 8900.0 245.1858 5200.0 324.2161 9200.0 328.1858 5600.0 330.1661 1500.0 342.2015 4300.0 342.2266 6000.0 343.2949 1900.0 344.1995 7100.0 360.1582 3100.0 360.2118 6000.0 413.2216 2900.0 413.2392 1200.0 413.2745 1700.0 425.2388 1200.0 437.2448 1100.0 437.2996 1900.0 441.2157 6000.0 441.2704 5200.0 443.2489 4600.0 444.2525 3400.0 451.3148 1300.0 455.2317 1000.0 455.2566 11000.0 455.3104 6400.0 459.2263 36000.0 459.2802 5200.0 460.2289 2700.0 461.2606 1600.0 469.3267 1400.0 470.3298 1300.0 473.2421 4300.0 473.2667 11000.0 473.3221 1800.0 475.2936 1700.0 496.3112 1100.0 526.3049 5200.0 540.4001 2800.0 543.2474 1200.0 544.315 5000.0 550.3301 5200.0 550.3843 1400.0 554.3002 6500.0 554.3539 2900.0 554.3773 1000.0 568.3404 14000.0 568.3936 9700.0 569.3438 1100.0 569.3983 2100.0 570.2575 1400.0 570.3368 3500.0 571.4048 1700.0 572.3104 18000.0 572.3635 3400.0 573.3137 1300.0 582.4095 1200.0 583.4132 2300.0 586.3262 2500.0 586.3506 25000.0 587.3538 1600.0 590.3209 3300.0 604.3361 4100.0 637.417 1400.0 648.4391 1100.0 649.3979 4000.0 655.4261 1300.0 657.4203 4500.0 658.4205 2800.0 665.4098 3500.0 666.4517 1600.0 667.4084 9600.0 668.4116 1100.0 670.4202 2000.0 673.4108 2100.0 674.4154 4800.0 675.417 1300.0 683.3688 1200.0 683.4219 9700.0 684.4269 2000.0 684.4617 1700.0 685.3934 15000.0 685.4198 21000.0 686.3966 1300.0 686.4227 2700.0 687.4272 9400.0 688.431 18000.0 689.4327 6600.0 699.4355 4100.0 700.4371 1100.0 701.3785 1500.0 701.4433 1400.0 702.4455 3700.0 703.4047 160000.0 704.4075 19000.0 716.46 1000.0 737.4683 4500.0 764.4257 1400.0 764.4757 1300.0 768.4548 1300.0 779.5338 1400.0 782.4351 6700.0 782.4887 3200.0 796.4531 2400.0 798.5038 10000.0 799.4875 1000.0 800.4459 6100.0 801.4493 1600.0 814.4614 4500.0 867.5246 5200.0 868.5111 1800.0 877.5099 1800.0 877.559 2100.0 894.5623 3400.0 895.5193 11000.0 895.5692 2700.0 896.52 1700.0 899.5519 1500.0 909.5353 2300.0 912.572 3200.0 913.5304 20000.0 913.5754 2000.0 914.5332 3600.0 927.5457 8400.0 928.55 1100.0 950.6122 1100.0 963.6187 1100.0 980.6237 5100.0 981.5914 1700.0 981.6345 3700.0 989.6376 1100.0 990.5923 1800.0 990.6368 1000.0 997.6605 2600.0 998.6191 14000.0 998.6659 1400.0 999.6214 3500.0 1007.6459 11000.0 1008.6029 22000.0 1008.6496 7300.0 1009.6069 4700.0 1025.6556 22000.0 1026.6133 94000.0 1026.6591 10000.0 1027.6171 21000.0 END IONS BEGIN IONS SCANS=407 PEPMASS=1032.6957 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3300.0 328.187 1200.0 366.2636 2400.0 395.2651 1900.0 423.2603 1400.0 441.2703 1700.0 461.3374 1300.0 479.3473 2700.0 497.359 1300.0 508.3493 1300.0 554.3536 2600.0 568.3702 1300.0 574.4205 5100.0 592.4316 3100.0 621.433 1300.0 667.4379 19000.0 668.4413 2300.0 673.4906 3700.0 679.4637 1500.0 691.4998 3100.0 707.4597 1500.0 788.5173 1600.0 804.5813 2500.0 820.5419 1200.0 901.6 1700.0 919.6105 2300.0 933.6281 2100.0 1004.6996 1900.0 1014.6827 1700.0 1032.6943 18000.0 1033.6975 3900.0 END IONS BEGIN IONS SCANS=408 PEPMASS=1034.6757 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2500.0 86.0964 3200.0 87.0441 1400.0 89.0597 2700.0 91.5081 1300.0 115.0751 2500.0 117.0907 7900.0 133.0859 3600.0 157.122 1400.0 175.1328 3700.0 177.1118 1400.0 199.1802 1300.0 227.1752 4000.0 229.1181 2200.0 233.1747 2900.0 245.1855 2600.0 326.2432 2900.0 328.1859 3400.0 342.2018 2900.0 350.2321 4400.0 360.2128 3100.0 368.2429 3000.0 395.265 2800.0 423.2595 3900.0 437.2391 1000.0 441.27 21000.0 442.2736 1500.0 455.2858 2900.0 457.3372 1000.0 459.2812 4000.0 463.3159 7400.0 481.3265 9500.0 499.338 1100.0 508.3499 2600.0 526.3592 2600.0 536.3434 3200.0 554.3538 11000.0 558.3894 2000.0 566.4154 1100.0 568.3329 1800.0 568.3685 1400.0 569.3362 1900.0 572.3644 4600.0 576.3993 7500.0 586.3801 2300.0 594.4103 18000.0 595.4144 1600.0 596.3527 1400.0 639.4438 1000.0 657.4577 1800.0 667.4384 8200.0 668.4403 1200.0 675.4684 5000.0 681.4435 1000.0 685.4485 87000.0 686.4515 9700.0 691.427 1500.0 693.4789 11000.0 694.4827 1700.0 707.4955 1500.0 709.4369 5600.0 763.4837 1700.0 790.4947 4100.0 804.5095 1800.0 806.5635 5200.0 808.5061 5000.0 822.5217 2400.0 823.5231 1000.0 857.5736 1000.0 875.5844 3600.0 876.5648 2400.0 885.5695 1300.0 893.595 1200.0 903.5785 6500.0 904.5831 1800.0 917.5938 1400.0 919.647 1400.0 921.5894 14000.0 922.5931 2300.0 935.6066 4500.0 988.6682 1800.0 989.6533 1500.0 1006.6785 8900.0 1007.682 1400.0 1016.6635 14000.0 1017.6653 2800.0 1033.6525 1500.0 1034.6737 64000.0 1035.6776 15000.0 END IONS BEGIN IONS SCANS=409 PEPMASS=1034.6743 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2500.0 86.0964 3200.0 87.0441 1400.0 89.0597 2700.0 91.5081 1300.0 115.0751 2500.0 117.0907 7900.0 133.0859 3600.0 157.122 1400.0 175.1328 3700.0 177.1118 1400.0 199.1802 1300.0 227.1752 4000.0 229.1181 2200.0 233.1747 2900.0 245.1855 2600.0 326.2432 2900.0 328.1859 3400.0 342.2018 2900.0 350.2321 4400.0 360.2128 3100.0 368.2429 3000.0 395.265 2800.0 423.2595 3900.0 437.2391 1000.0 441.27 21000.0 442.2736 1500.0 455.2858 2900.0 457.3372 1000.0 459.2812 4000.0 463.3159 7400.0 481.3265 9500.0 499.338 1100.0 508.3499 2600.0 526.3592 2600.0 536.3434 3200.0 554.3538 11000.0 558.3894 2000.0 566.4154 1100.0 568.3329 1800.0 568.3685 1400.0 569.3362 1900.0 572.3644 4600.0 576.3993 7500.0 586.3801 2300.0 594.4103 18000.0 595.4144 1600.0 596.3527 1400.0 639.4438 1000.0 657.4577 1800.0 667.4384 8200.0 668.4403 1200.0 675.4684 5000.0 681.4435 1000.0 685.4485 87000.0 686.4515 9700.0 691.427 1500.0 693.4789 11000.0 694.4827 1700.0 707.4955 1500.0 709.4369 5600.0 763.4837 1700.0 790.4947 4100.0 804.5095 1800.0 806.5635 5200.0 808.5061 5000.0 822.5217 2400.0 823.5231 1000.0 857.5736 1000.0 875.5844 3600.0 876.5648 2400.0 885.5695 1300.0 893.595 1200.0 903.5785 6500.0 904.5831 1800.0 917.5938 1400.0 919.647 1400.0 921.5894 14000.0 922.5931 2300.0 935.6066 4500.0 988.6682 1800.0 989.6533 1500.0 1006.6785 8900.0 1007.682 1400.0 1016.6635 14000.0 1017.6653 2800.0 1033.6525 1500.0 1034.6737 64000.0 1035.6776 15000.0 END IONS BEGIN IONS SCANS=410 PEPMASS=1035.6196 CHARGE=2 COLLISION_ENERGY=0.0 175.1327 2600.0 199.1801 1200.0 227.1751 3700.0 233.1744 2000.0 245.1856 2300.0 324.2166 2800.0 326.2427 2100.0 328.1863 3100.0 342.2023 2100.0 342.2271 1500.0 360.2123 2700.0 395.2646 2600.0 423.2595 3000.0 437.3003 4600.0 441.2703 19000.0 442.2736 3100.0 455.2876 2300.0 455.311 6600.0 456.3148 1000.0 459.2805 3500.0 473.3217 1600.0 483.3412 1100.0 508.349 2400.0 526.3594 1600.0 531.793 1300.0 532.3745 2700.0 536.3438 4200.0 540.4003 1100.0 550.3849 6800.0 551.3879 1700.0 554.3543 11000.0 568.3697 1200.0 568.395 16000.0 569.3985 4600.0 570.3389 1400.0 572.3647 3900.0 586.3802 2000.0 596.4259 1700.0 626.2833 1000.0 639.4446 1000.0 649.453 7000.0 650.4568 1700.0 665.4108 2200.0 667.4381 12000.0 667.4642 13000.0 668.441 2200.0 668.4673 3800.0 681.4799 1500.0 683.4234 5300.0 684.4335 2100.0 685.449 120000.0 686.4521 27000.0 687.4554 2900.0 695.4945 1400.0 702.3884 1300.0 720.3983 1200.0 737.4703 1400.0 739.3688 1200.0 764.4804 4300.0 765.4836 1300.0 778.4966 2000.0 780.5475 5300.0 782.4915 5600.0 783.4955 1100.0 796.5063 2200.0 797.5075 1200.0 800.3893 1200.0 808.5793 1200.0 810.5221 1100.0 818.3963 2600.0 832.3905 1300.0 836.4114 2200.0 849.5687 3900.0 877.5643 9000.0 878.5673 2400.0 891.5806 1800.0 892.4099 2000.0 895.5746 16000.0 896.5776 6100.0 905.5967 1500.0 909.5904 4200.0 910.592 1600.0 913.4734 1900.0 921.4996 1600.0 923.6072 1800.0 931.4846 2900.0 932.4878 1200.0 949.495 1500.0 962.6528 1900.0 963.6371 1300.0 972.6407 2200.0 973.6399 1400.0 980.6647 7900.0 981.6668 3600.0 982.6705 1100.0 990.6485 29000.0 991.6529 9600.0 992.6544 1200.0 1000.5773 1900.0 1002.559 1100.0 1008.6591 140000.0 1009.6627 65000.0 1010.6658 9500.0 1017.6656 1000.0 1018.5156 1600.0 1018.6371 1400.0 1018.6794 3600.0 1019.5209 1100.0 1026.5579 13000.0 1027.5587 4600.0 1028.5543 1400.0 1034.6663 11000.0 1035.6788 13000.0 1036.693 25000.0 1042.5702 3100.0 1043.5717 9700.0 1044.5681 77000.0 1045.5712 31000.0 1046.5709 8500.0 1060.5826 14000.0 1061.5815 43000.0 1062.5787 310000.0 1063.5818 130000.0 1064.5814 29000.0 END IONS BEGIN IONS SCANS=411 PEPMASS=1035.6198 CHARGE=2 COLLISION_ENERGY=0.0 175.1325 5300.0 177.1118 2000.0 227.1748 3200.0 229.1178 1300.0 233.1744 3700.0 245.1852 1600.0 291.2158 2100.0 324.2166 2300.0 326.2428 2100.0 328.1857 2800.0 342.2018 1700.0 342.2271 2200.0 360.2125 2200.0 395.265 1400.0 423.2592 2600.0 437.3005 4200.0 438.3037 1200.0 441.2702 16000.0 442.2734 2900.0 455.2867 3000.0 455.3109 6000.0 456.3139 1200.0 459.281 2900.0 508.3494 2300.0 526.3599 1900.0 532.3745 1500.0 536.3438 3000.0 550.3843 5900.0 551.3878 1700.0 554.3539 8000.0 555.3588 1900.0 568.3946 14000.0 569.3987 3900.0 570.3392 1400.0 572.3647 3900.0 586.3809 1800.0 596.4261 1200.0 631.4419 1400.0 649.4265 1000.0 649.453 4800.0 650.4565 2100.0 665.411 1700.0 667.4377 8300.0 667.4639 7800.0 668.4413 2400.0 668.4669 3900.0 681.4794 1400.0 683.4222 4300.0 684.4255 1500.0 685.4489 89000.0 686.4521 26000.0 687.4544 4000.0 695.4952 1800.0 699.4288 1500.0 699.4646 4400.0 700.468 4700.0 701.4684 1100.0 702.3887 1400.0 711.4534 1000.0 737.4688 1400.0 739.3676 1200.0 746.4698 1200.0 764.4799 2800.0 765.4837 1400.0 778.4958 1500.0 780.5485 3700.0 781.5508 1100.0 782.4884 3500.0 783.4935 1800.0 796.5052 1700.0 808.5771 1100.0 810.5209 1200.0 818.3997 2400.0 836.4104 1500.0 849.5704 2300.0 850.5688 1400.0 877.5645 6500.0 877.6024 1000.0 878.566 3000.0 891.5781 1600.0 892.4103 1200.0 895.5745 11000.0 896.5776 5600.0 897.5797 1400.0 903.4893 1100.0 905.595 1600.0 909.5912 4000.0 910.593 1400.0 913.4717 1900.0 914.4756 1400.0 922.593 1400.0 923.6048 1900.0 931.4828 1200.0 932.4868 1200.0 962.6547 1300.0 963.6366 1400.0 972.6378 1100.0 980.6644 5800.0 981.6678 2300.0 990.6481 21000.0 991.6517 12000.0 992.6553 1600.0 1000.5767 1500.0 1008.6587 100000.0 1009.662 57000.0 1010.6644 14000.0 1011.6694 1700.0 1017.667 1700.0 1018.5171 1300.0 1018.6827 3400.0 1019.5192 1300.0 1025.5621 1000.0 1026.5559 10000.0 1027.5597 6100.0 1028.5566 2100.0 1034.6733 1000.0 1035.678 9200.0 1036.6917 26000.0 1042.5704 1200.0 1043.5715 4400.0 1044.5677 59000.0 1045.5709 32000.0 1046.5712 12000.0 1047.5741 1500.0 1060.5839 3700.0 1061.5815 23000.0 1062.5784 210000.0 1063.5813 130000.0 1064.5823 39000.0 1065.5823 5300.0 END IONS BEGIN IONS SCANS=412 PEPMASS=1036.1235 CHARGE=1 COLLISION_ENERGY=0.0 72.0808 1400.0 81.7565 1100.0 86.0965 16000.0 87.0442 1000.0 102.0549 1100.0 115.0751 1100.0 117.0908 3000.0 129.6085 1000.0 140.6503 1100.0 150.1607 1100.0 175.1324 3500.0 177.1113 2200.0 183.1123 1300.0 199.1806 4500.0 201.123 1800.0 213.159 1600.0 227.1752 17000.0 229.1182 9400.0 243.1336 1500.0 245.1857 13000.0 283.2013 1100.0 296.1969 1100.0 311.1966 1700.0 324.2161 4300.0 326.2433 10000.0 327.2465 1100.0 328.1859 15000.0 340.2574 1500.0 342.2018 10000.0 342.2271 2900.0 344.2532 1900.0 352.2473 15000.0 360.2117 9800.0 370.258 5800.0 371.3257 4800.0 375.8646 1200.0 392.2533 1400.0 395.2646 7600.0 396.2495 1700.0 403.8552 1000.0 413.2754 4400.0 419.3277 1300.0 423.2589 11000.0 427.2909 1500.0 437.2746 3400.0 437.2998 4200.0 439.3264 1100.0 441.2697 76000.0 442.2731 4100.0 447.3204 2600.0 455.2858 15000.0 455.3097 7400.0 455.3466 2100.0 456.3144 2200.0 457.3375 4100.0 459.2795 11000.0 465.3318 19000.0 469.2645 1000.0 469.3271 1400.0 471.3522 1700.0 473.2957 2900.0 473.3206 1500.0 483.3421 30000.0 501.352 1700.0 507.2808 3600.0 508.3481 9900.0 509.3326 3000.0 511.6924 1100.0 525.2914 6600.0 526.3584 13000.0 532.3738 1800.0 536.3427 10000.0 540.4005 1700.0 550.3835 5700.0 552.3021 2300.0 552.3641 2000.0 554.3536 55000.0 555.3562 1600.0 560.4045 8600.0 568.369 5400.0 568.3945 11000.0 568.4313 5000.0 569.3979 4600.0 570.3347 1500.0 570.4003 1200.0 570.4216 3700.0 572.3649 15000.0 578.415 25000.0 580.3592 2300.0 582.4102 1500.0 586.3788 7700.0 596.4255 51000.0 598.3693 6400.0 610.3777 1200.0 614.8495 1000.0 638.375 4600.0 639.4432 3800.0 640.4252 1400.0 649.4258 2200.0 649.4512 2600.0 659.472 6100.0 665.3859 2100.0 665.4125 1200.0 665.4482 2200.0 667.4373 30000.0 667.4637 4500.0 668.4405 2900.0 668.4661 4300.0 677.4839 16000.0 679.4275 3200.0 681.5133 3300.0 683.4218 2800.0 683.4581 3000.0 685.4481 380000.0 686.452 15000.0 687.4525 3200.0 691.4965 1300.0 693.4422 5900.0 695.4938 32000.0 697.4376 2700.0 698.5026 1400.0 701.4869 1300.0 702.3866 1100.0 709.5089 12000.0 711.4526 24000.0 726.1876 1200.0 733.316 1200.0 733.4478 1400.0 734.6935 1100.0 737.5018 1300.0 739.5972 1100.0 740.371 1100.0 760.5219 1100.0 764.4786 4100.0 764.5152 2800.0 765.4984 4800.0 774.4989 3200.0 778.4985 1600.0 778.5282 5000.0 779.5163 1700.0 780.5465 2600.0 780.5824 1800.0 781.5504 1200.0 782.4894 2500.0 782.5226 1400.0 790.568 6400.0 792.5101 15000.0 794.5631 1700.0 796.5046 2300.0 806.525 9300.0 808.5776 33000.0 810.5207 17000.0 818.3955 1400.0 822.5936 4900.0 824.5372 15000.0 832.5764 1200.0 836.4077 1400.0 849.5642 1800.0 857.2897 1200.0 859.5891 5200.0 860.5756 1800.0 876.6405 2100.0 877.5613 3600.0 877.6002 19000.0 878.5853 5600.0 887.5842 7400.0 891.6163 1200.0 895.5734 7200.0 896.5745 3900.0 897.5806 1200.0 905.5945 37000.0 909.5859 1800.0 909.6259 2400.0 913.4738 1100.0 914.4725 1300.0 919.6104 6200.0 921.6605 7200.0 923.6044 55000.0 931.4787 1800.0 933.5878 2000.0 937.62 25000.0 943.1755 1100.0 949.4913 1200.0 949.6514 1700.0 972.6356 1600.0 980.6633 4000.0 981.6689 2100.0 990.6406 11000.0 990.6865 4300.0 991.6601 11000.0 1000.5762 1700.0 1000.6677 5000.0 1008.6555 26000.0 1008.6951 40000.0 1009.6613 23000.0 1010.6647 6000.0 1018.6783 68000.0 1026.5562 7200.0 1027.558 5100.0 1028.5596 1400.0 1036.6888 350000.0 1043.5693 3100.0 1044.5671 30000.0 1045.5691 19000.0 1046.5698 10000.0 1060.5823 2000.0 1061.5801 12000.0 1062.5771 88000.0 1063.5801 52000.0 1064.5791 26000.0 1065.5813 3700.0 END IONS BEGIN IONS SCANS=413 PEPMASS=1036.6537 CHARGE=1 COLLISION_ENERGY=0.0 227.1753 1600.0 326.2437 1300.0 328.1873 1100.0 352.211 3400.0 360.2129 1500.0 370.2228 1400.0 441.2701 7600.0 447.2844 1500.0 459.2807 1600.0 465.2959 3300.0 483.3058 6300.0 501.3189 1000.0 508.3477 1300.0 536.3432 1900.0 554.3543 4500.0 560.3688 1200.0 572.3651 1500.0 578.3784 3500.0 586.3798 1300.0 596.3899 8600.0 598.3332 1100.0 659.439 1400.0 667.4379 4200.0 677.4485 2500.0 685.4484 51000.0 686.4515 7700.0 693.407 1000.0 695.4581 6300.0 711.4161 2800.0 792.4734 2700.0 808.5409 2400.0 810.4846 2100.0 824.5006 1400.0 877.5625 1100.0 905.5597 3600.0 906.5598 1200.0 923.5684 6200.0 937.5857 2400.0 991.6323 1300.0 1008.6567 4500.0 1018.6416 8500.0 1019.6478 2400.0 1036.5654 1700.0 1036.6525 42000.0 1037.6558 7500.0 END IONS BEGIN IONS SCANS=414 PEPMASS=1036.6533 CHARGE=1 COLLISION_ENERGY=0.0 72.0813 1400.0 86.0968 66000.0 87.044 1500.0 89.0598 1400.0 102.0552 1100.0 112.3542 1100.0 115.0752 1000.0 117.0907 3800.0 132.1014 3500.0 157.1253 1200.0 175.1324 2400.0 185.1646 1100.0 199.18 8400.0 201.1234 9100.0 208.4982 1400.0 213.1595 5100.0 215.1021 1100.0 218.7543 1100.0 223.1688 2300.0 227.175 30000.0 229.1179 22000.0 231.1703 2800.0 233.1743 2000.0 241.1543 1300.0 243.1331 2300.0 245.1856 43000.0 246.1885 1200.0 281.2217 3400.0 283.1649 3100.0 295.2378 1100.0 296.1965 2300.0 297.1797 1200.0 300.1919 1300.0 311.1604 1100.0 311.1955 1400.0 322.5518 1100.0 325.1749 1200.0 326.2429 18000.0 327.2454 1000.0 328.186 42000.0 329.1899 2000.0 334.2002 13000.0 338.207 1000.0 340.2593 2300.0 342.2017 23000.0 344.2537 1900.0 352.2109 18000.0 356.2179 2100.0 358.2693 3200.0 360.2119 38000.0 361.2153 1500.0 370.2217 14000.0 371.2899 3000.0 392.2536 1500.0 395.2645 12000.0 396.2493 3900.0 406.2323 1500.0 409.2805 2600.0 410.2637 1400.0 413.2755 6400.0 414.2592 7200.0 419.2899 1800.0 423.2591 17000.0 424.2434 2300.0 426.2229 1300.0 427.29 1200.0 428.2744 1600.0 434.5733 1300.0 437.2383 1200.0 437.2752 4000.0 437.3004 15000.0 441.27 150000.0 442.2736 9400.0 444.2331 1500.0 447.2853 8600.0 451.2547 2100.0 451.2806 1000.0 453.0034 1100.0 455.2855 19000.0 455.3098 1300.0 457.3374 4000.0 459.2805 53000.0 460.2831 3600.0 465.2951 170000.0 466.2984 13000.0 467.239 5100.0 469.2655 2000.0 470.9189 1100.0 471.3527 2900.0 473.2953 5300.0 476.0152 1100.0 483.3055 49000.0 483.3419 2700.0 484.309 4900.0 485.2484 1400.0 501.3165 3100.0 505.3011 1300.0 507.2802 3000.0 508.3481 18000.0 509.3336 5800.0 525.2908 2800.0 526.3586 13000.0 527.3425 3800.0 527.3625 2100.0 531.9797 1000.0 532.3733 1900.0 534.3153 1200.0 536.3431 19000.0 543.6721 1100.0 550.3837 32000.0 551.3876 2900.0 552.3022 3300.0 552.327 5000.0 552.4113 1600.0 554.3537 66000.0 555.3571 5200.0 560.3683 14000.0 562.3115 1300.0 564.364 5500.0 565.3675 1200.0 568.3699 8600.0 568.395 2700.0 569.3969 1100.0 570.3127 1400.0 570.422 3600.0 572.3644 47000.0 573.3677 5200.0 578.3788 290000.0 579.3824 32000.0 580.3218 12000.0 582.3483 1500.0 582.3737 2600.0 586.3795 13000.0 587.3818 1200.0 596.3893 86000.0 597.3918 9100.0 598.3325 3400.0 599.4003 1100.0 613.416 1900.0 621.4321 2000.0 622.4149 2100.0 637.3934 1000.0 638.3757 1400.0 639.4419 4600.0 640.4254 2700.0 647.4007 1900.0 649.4263 3000.0 649.4523 1300.0 659.4359 13000.0 665.3855 2100.0 665.4119 2100.0 665.9983 1000.0 667.4376 54000.0 668.4412 6600.0 675.3959 2100.0 677.4472 170000.0 678.4504 23000.0 679.3901 4100.0 681.4786 4000.0 685.4481 630000.0 686.4512 75000.0 691.4623 5300.0 693.4051 14000.0 695.4576 61000.0 696.4603 6900.0 697.3995 2100.0 709.4731 7500.0 711.4153 15000.0 712.4197 1300.0 719.4578 1800.0 726.5015 1800.0 760.4835 1700.0 764.4801 2200.0 765.463 6900.0 769.4676 1400.0 774.4612 4300.0 777.5363 1900.0 778.4952 4700.0 780.546 2300.0 788.4782 1700.0 790.5309 3600.0 792.4739 40000.0 793.4788 5700.0 794.561 2100.0 796.506 2100.0 804.5466 1300.0 806.4901 8900.0 807.492 1200.0 808.541 14000.0 809.5449 2400.0 810.4852 19000.0 811.4887 2700.0 820.4681 1200.0 822.5566 1900.0 824.4997 12000.0 826.3915 1100.0 849.5635 1100.0 859.5516 2100.0 860.5347 2200.0 876.6036 3500.0 877.564 14000.0 878.5428 9700.0 879.5514 2100.0 887.5466 4000.0 895.5734 2800.0 901.5588 1500.0 903.6144 1300.0 905.558 42000.0 906.5597 6600.0 909.5898 3000.0 919.5745 7100.0 920.5742 1200.0 921.6245 4400.0 923.5685 48000.0 924.5713 6300.0 933.5536 1200.0 937.5842 23000.0 938.5872 4500.0 973.6224 2000.0 990.6472 8300.0 991.6306 10000.0 992.6349 2000.0 993.4298 1100.0 1000.6315 5300.0 1008.6573 47000.0 1009.6612 10000.0 1018.6422 71000.0 1019.6447 14000.0 1036.6523 290000.0 1037.6554 61000.0 1037.735 1400.0 END IONS BEGIN IONS SCANS=415 PEPMASS=1036.6903 CHARGE=1 COLLISION_ENERGY=0.0 73.9558 1200.0 75.9232 1100.0 77.752 1100.0 80.2469 1100.0 80.5553 1100.0 80.5894 1100.0 84.0445 1800.0 84.5027 1100.0 86.0965 19000.0 87.9077 1200.0 89.0599 1600.0 98.0173 1200.0 99.2198 1100.0 101.7643 1200.0 102.0549 1600.0 102.2323 1200.0 108.0726 1100.0 108.9921 1300.0 110.6942 1300.0 117.0907 2400.0 117.3326 1400.0 117.4249 1400.0 130.0494 1800.0 132.1013 1700.0 135.9457 1400.0 137.0937 1200.0 145.6063 1200.0 148.1336 1500.0 157.0595 1100.0 160.9841 1200.0 161.9414 1400.0 169.9709 1100.0 175.1327 1600.0 177.1112 1400.0 183.1118 1500.0 191.6549 1200.0 199.1798 5000.0 199.8049 1800.0 201.1229 3500.0 202.0447 1200.0 213.1598 1600.0 227.1753 23000.0 229.1181 13000.0 230.2238 1200.0 231.1697 1300.0 234.1156 1500.0 243.1324 1700.0 245.1857 19000.0 277.7496 1100.0 281.2224 1400.0 283.2005 2300.0 293.1855 1300.0 296.2216 1200.0 306.6169 1100.0 311.1958 2200.0 313.138 1700.0 324.1908 1700.0 324.2166 2000.0 326.243 14000.0 328.1859 20000.0 334.2381 1700.0 340.2589 1900.0 342.2017 12000.0 342.2253 1300.0 343.2038 1500.0 343.943 1200.0 344.2539 2400.0 352.2474 22000.0 353.2514 1400.0 358.2691 1400.0 360.212 19000.0 360.3458 1300.0 366.6866 1500.0 368.1906 1500.0 370.2587 7700.0 371.3255 6100.0 392.2536 2900.0 394.3041 1700.0 395.265 11000.0 395.6556 1300.0 396.2486 3600.0 409.2791 1300.0 413.2752 3500.0 414.2599 1600.0 419.3279 1300.0 423.2592 15000.0 426.2225 1700.0 427.2909 2800.0 437.2744 3600.0 437.3 4200.0 439.3273 2000.0 441.2699 99000.0 442.2737 8800.0 447.321 3600.0 455.2858 22000.0 455.3094 6400.0 455.3475 4800.0 456.2895 2000.0 457.3377 5800.0 459.2802 15000.0 460.2837 1900.0 465.3316 28000.0 466.3364 1600.0 469.2643 1400.0 471.3538 1900.0 473.2961 2500.0 483.3418 43000.0 484.3454 3500.0 485.285 2400.0 486.9665 1400.0 501.3527 1600.0 507.2807 3400.0 508.3478 8500.0 509.3318 3700.0 509.3521 2100.0 522.3637 1300.0 525.2904 4600.0 526.3585 19000.0 532.3709 1600.0 532.413 1400.0 536.3433 11000.0 538.5433 1600.0 544.3174 1400.0 550.3835 4500.0 551.3862 1300.0 552.3026 3500.0 552.3289 1300.0 552.363 3700.0 554.3535 75000.0 555.3571 7100.0 560.4048 12000.0 564.3983 1800.0 568.3693 8200.0 568.3948 9600.0 568.4301 8300.0 569.3992 4100.0 570.4207 5000.0 572.3642 24000.0 573.3654 2200.0 578.4154 30000.0 579.4193 3300.0 580.3589 4600.0 582.4103 3300.0 586.3801 11000.0 587.3831 2200.0 596.4254 68000.0 597.4296 8000.0 598.3695 9500.0 599.4362 1800.0 607.1262 1300.0 610.3793 1800.0 620.8582 1200.0 621.3269 1600.0 621.4318 1600.0 632.4427 1700.0 638.3751 4600.0 639.4427 3400.0 640.425 1700.0 648.114 1500.0 649.4266 3300.0 650.4543 2000.0 651.4326 1800.0 659.4729 6900.0 665.3854 2100.0 665.4122 1400.0 665.446 5900.0 667.4379 33000.0 667.4629 3700.0 668.4409 9200.0 668.4667 2000.0 677.4832 19000.0 678.4874 3500.0 679.4264 4800.0 681.478 1500.0 681.5134 2900.0 683.4215 2700.0 683.4578 4300.0 685.4483 450000.0 686.4514 66000.0 687.4542 3600.0 691.4996 3400.0 693.4417 11000.0 695.4937 45000.0 696.4969 5100.0 697.4393 1800.0 699.4227 1500.0 709.5094 16000.0 710.5118 1500.0 711.4527 29000.0 712.4562 5900.0 719.4938 2000.0 726.5365 1700.0 737.4684 1800.0 737.502 1200.0 738.4851 1400.0 764.4832 1700.0 764.5171 3400.0 765.5014 2100.0 774.4991 6100.0 778.5319 5200.0 780.5823 4200.0 781.5491 2600.0 782.4901 1900.0 790.5665 11000.0 792.5103 16000.0 793.5118 2800.0 796.505 2300.0 806.5253 13000.0 807.5303 2000.0 808.5781 44000.0 809.582 5300.0 810.5208 19000.0 818.3935 1700.0 822.5922 6000.0 824.5367 20000.0 859.5883 6000.0 876.6412 3400.0 877.5624 2000.0 877.6001 22000.0 878.5828 5200.0 878.5961 4500.0 879.5756 1400.0 887.5831 8300.0 895.574 6000.0 895.613 2300.0 905.5946 41000.0 906.598 7800.0 909.5878 2300.0 909.6269 3100.0 919.6115 8200.0 921.66 6400.0 923.6046 64000.0 924.6063 13000.0 928.364 1500.0 931.4828 2500.0 937.6202 24000.0 938.6226 6800.0 979.617 1600.0 980.6641 4700.0 981.6674 2900.0 990.6463 5000.0 990.6918 5900.0 991.653 9300.0 992.6624 1900.0 1000.6677 5400.0 1001.6697 1500.0 1008.6545 16000.0 1008.6949 43000.0 1009.6551 19000.0 1009.6998 6100.0 1010.6642 5500.0 1018.6789 77000.0 1019.682 15000.0 1026.5569 4000.0 1027.557 2600.0 1028.5588 3300.0 1036.689 360000.0 1037.6923 81000.0 1044.5667 19000.0 1045.5687 19000.0 1046.5685 16000.0 1047.572 5300.0 1061.5792 3400.0 1062.5776 59000.0 1063.5803 51000.0 1064.58 35000.0 1065.5813 9900.0 1066.5809 2100.0 END IONS BEGIN IONS SCANS=416 PEPMASS=1036.6927 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 3700.0 87.0444 2500.0 89.0601 3700.0 99.0807 1800.0 115.0755 3300.0 117.0911 10000.0 133.086 3100.0 157.1222 1300.0 173.1171 1000.0 175.1327 5400.0 177.1122 2300.0 199.1805 1500.0 227.1751 6600.0 229.1182 2300.0 233.1745 4200.0 245.1857 1800.0 291.2157 1700.0 326.243 4600.0 328.1855 4000.0 342.202 1300.0 352.2478 11000.0 360.2122 2700.0 395.2642 1300.0 423.2594 1400.0 441.2332 1200.0 441.27 30000.0 442.273 3400.0 455.2849 2000.0 459.2805 5600.0 465.2961 1100.0 465.3315 25000.0 466.3349 2000.0 508.3482 1200.0 526.3581 2300.0 536.3422 1600.0 554.3536 8600.0 560.405 2800.0 572.3646 5400.0 578.4155 31000.0 579.4185 2900.0 595.4141 1200.0 596.3904 1000.0 659.473 1000.0 667.4379 4600.0 671.4351 1000.0 676.471 1100.0 677.4837 10000.0 678.4864 1400.0 685.4135 5500.0 685.4481 63000.0 686.4509 15000.0 687.4537 2400.0 922.5918 1200.0 1007.6793 1000.0 1017.6647 1200.0 1018.6397 1800.0 1035.6766 5200.0 1036.6492 3100.0 1036.6825 3500.0 END IONS BEGIN IONS SCANS=417 PEPMASS=1036.6918 CHARGE=1 COLLISION_ENERGY=0.0 72.0033 3600.0 72.0811 3900.0 75.7764 3400.0 77.0977 3500.0 77.9255 4500.0 81.6482 4200.0 86.0965 96000.0 86.6137 4900.0 86.7669 3800.0 99.5478 4500.0 104.4086 4900.0 108.5609 3400.0 110.3052 3700.0 130.0495 3800.0 132.1018 4500.0 139.9698 3700.0 174.9524 3600.0 179.1586 4000.0 181.7658 4200.0 183.1121 4100.0 193.4758 4100.0 199.1805 31000.0 201.123 15000.0 208.5017 7500.0 213.1596 6500.0 227.1752 98000.0 229.118 39000.0 231.1701 7400.0 240.2321 4500.0 243.1334 8100.0 245.1856 56000.0 246.1872 4000.0 249.9206 3900.0 252.3907 5000.0 256.9558 4300.0 261.4724 3800.0 269.2829 4400.0 281.222 9500.0 283.1645 5600.0 296.1964 8200.0 297.1807 4700.0 298.2489 5500.0 300.1919 5100.0 303.6549 4200.0 308.7052 3900.0 311.196 6000.0 314.2064 5700.0 325.175 4000.0 326.2433 65000.0 328.186 84000.0 329.144 3900.0 336.2894 4100.0 336.6188 3700.0 339.8655 3700.0 340.2585 7100.0 342.2016 64000.0 344.2545 9000.0 352.2474 82000.0 356.2159 4400.0 360.2122 66000.0 365.9601 4100.0 370.258 79000.0 371.3259 12000.0 392.2549 5800.0 395.265 51000.0 396.2491 19000.0 408.212 6200.0 409.2808 8700.0 410.2632 7000.0 413.0533 4000.0 413.2746 27000.0 414.2604 11000.0 419.326 7900.0 423.2597 60000.0 427.2909 5500.0 433.899 4100.0 437.2744 15000.0 437.3361 8500.0 439.3259 5100.0 441.2701 480000.0 442.2733 32000.0 447.3205 18000.0 451.2559 5800.0 455.2856 48000.0 455.3469 13000.0 457.3373 14000.0 459.2803 79000.0 465.3315 120000.0 466.3343 12000.0 469.2646 5000.0 471.3539 9100.0 472.6123 4900.0 473.2963 7300.0 483.3421 240000.0 484.3459 26000.0 484.4104 9300.0 485.2846 19000.0 501.353 25000.0 507.2818 6300.0 508.3486 57000.0 509.3334 21000.0 509.3508 5600.0 522.3633 6500.0 525.2919 13000.0 526.3589 53000.0 527.3429 9500.0 527.3613 4200.0 532.4105 4800.0 536.1384 4000.0 536.343 80000.0 537.3459 7200.0 546.3892 6800.0 550.4211 11000.0 551.4068 5900.0 552.3011 17000.0 552.3638 5800.0 554.3535 210000.0 555.3589 21000.0 560.4051 57000.0 561.408 5600.0 564.4012 4900.0 568.3698 33000.0 568.4297 35000.0 569.374 5200.0 570.4179 6900.0 572.3641 96000.0 573.3686 11000.0 578.4151 170000.0 579.4182 15000.0 580.3583 13000.0 586.38 35000.0 596.4259 470000.0 597.4296 58000.0 598.3682 41000.0 599.3724 7800.0 599.4383 8800.0 613.453 5700.0 617.6091 4300.0 621.4323 16000.0 638.3748 7300.0 639.4426 38000.0 640.4243 6900.0 647.4339 5200.0 649.4269 22000.0 659.4728 44000.0 662.3927 4900.0 665.3864 6800.0 665.4477 32000.0 667.4377 220000.0 667.499 7000.0 668.4401 28000.0 677.4838 120000.0 678.4879 16000.0 679.4269 6300.0 681.5157 13000.0 683.4584 20000.0 685.4482 2000000.0 686.4512 250000.0 691.4993 8800.0 693.442 51000.0 695.4944 320000.0 696.4974 44000.0 697.4368 14000.0 709.5094 39000.0 710.5115 8400.0 711.4525 120000.0 712.4555 13000.0 719.494 5800.0 726.5357 7300.0 746.5054 7500.0 760.5209 6400.0 764.515 17000.0 765.4991 41000.0 766.5007 6700.0 774.5001 20000.0 778.5308 13000.0 779.5192 5800.0 780.5836 14000.0 788.5179 7700.0 790.5662 29000.0 791.5714 8900.0 792.5099 89000.0 793.5137 17000.0 794.5989 7000.0 804.5818 8400.0 806.5254 39000.0 808.5779 100000.0 809.5803 15000.0 810.5208 120000.0 811.5243 17000.0 822.5941 6700.0 824.5355 52000.0 825.5381 7800.0 859.588 14000.0 860.5723 4600.0 876.6436 5300.0 877.6005 75000.0 878.585 39000.0 887.5836 22000.0 895.6122 11000.0 905.5948 120000.0 906.5973 26000.0 909.6265 12000.0 919.6097 37000.0 920.6127 6700.0 921.6633 20000.0 923.6049 290000.0 924.6082 72000.0 937.6207 96000.0 938.6229 19000.0 972.6729 5900.0 973.6512 6400.0 990.6815 39000.0 991.6683 41000.0 1000.6649 20000.0 1001.6721 5300.0 1008.6944 180000.0 1009.6966 40000.0 1018.6785 310000.0 1019.6813 73000.0 1036.6891 1400000.0 1037.6925 320000.0 END IONS BEGIN IONS SCANS=418 PEPMASS=1038.67 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 199.18 1300.0 227.1753 5900.0 229.118 2900.0 245.1855 3200.0 326.243 4300.0 328.186 4800.0 336.216 5200.0 342.2016 2400.0 354.2268 3300.0 360.212 4800.0 395.2653 2800.0 413.2748 1100.0 423.2598 3800.0 437.2759 1100.0 441.2702 33000.0 442.2727 1800.0 449.3004 7600.0 455.2855 3100.0 459.2807 6300.0 467.311 12000.0 485.3216 4100.0 507.2815 1100.0 508.3492 5300.0 526.3588 4800.0 534.3904 1400.0 536.3439 7700.0 544.3741 4300.0 552.3033 1200.0 552.3998 2200.0 554.3542 19000.0 555.3578 2100.0 562.3843 14000.0 564.326 1100.0 568.368 1200.0 570.422 1000.0 572.3646 8400.0 580.3948 34000.0 581.3987 3700.0 582.3365 2600.0 586.3801 3000.0 598.4056 1000.0 621.4329 1300.0 639.4442 2400.0 643.4417 4000.0 649.4279 2600.0 661.4525 13000.0 662.4557 1600.0 663.3952 1000.0 667.4382 21000.0 668.4416 2400.0 675.467 1200.0 677.4108 3800.0 679.463 29000.0 680.4665 3500.0 681.405 1100.0 685.4485 240000.0 686.4516 29000.0 693.4777 4000.0 695.4215 12000.0 696.4235 1400.0 699.4648 1600.0 748.4833 1200.0 749.4677 3000.0 758.4705 2600.0 774.5375 1700.0 776.4792 11000.0 777.4831 1200.0 790.4953 3100.0 792.5469 8800.0 793.5502 1200.0 794.4899 11000.0 795.4926 1300.0 806.5638 1300.0 808.505 5000.0 809.5079 1100.0 843.5594 2200.0 861.5682 10000.0 862.5489 2800.0 871.5519 3500.0 879.5793 1600.0 889.5634 18000.0 890.5668 3700.0 903.5774 1700.0 905.6301 1100.0 907.5737 36000.0 908.5776 6400.0 921.5891 8600.0 922.5914 2200.0 974.6528 3100.0 975.6378 3800.0 984.6395 2300.0 992.6631 20000.0 993.6666 4100.0 1002.6475 50000.0 1003.6501 10000.0 1010.6744 1600.0 1020.6583 280000.0 1021.6613 61000.0 1038.541 6200.0 1038.6693 16000.0 1039.5437 1300.0 1039.673 3500.0 END IONS BEGIN IONS SCANS=419 PEPMASS=1038.6674 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 9900.0 89.0601 1700.0 115.0755 1200.0 117.0911 5300.0 175.1329 2200.0 199.1806 2200.0 201.1234 1400.0 226.2162 1100.0 227.175 6300.0 229.1181 4400.0 245.1858 4700.0 328.1861 1700.0 328.2227 2000.0 330.1653 4100.0 338.2316 1400.0 342.2014 5700.0 352.2479 4100.0 355.1856 12000.0 357.3103 12000.0 360.2126 3400.0 369.201 2900.0 370.2591 2900.0 397.244 1900.0 425.2385 5400.0 439.2545 2600.0 441.2701 3400.0 443.2493 23000.0 454.254 19000.0 455.2585 1300.0 455.285 1300.0 455.3115 1300.0 457.2646 2400.0 459.2801 1600.0 461.2594 5400.0 465.3318 5100.0 468.2701 2600.0 469.3265 1600.0 470.3945 6000.0 471.3977 1200.0 483.3422 8000.0 501.3519 2300.0 510.3289 1800.0 528.3383 2900.0 538.3224 5300.0 550.3843 1200.0 552.3383 1700.0 556.3331 10000.0 560.4044 1500.0 562.3845 1300.0 567.4108 1300.0 568.3945 1700.0 568.4306 1300.0 569.28 7400.0 570.3489 1400.0 572.3646 1400.0 574.3441 5300.0 578.4148 3700.0 580.3926 1100.0 582.4097 2200.0 583.2963 1200.0 585.4211 11000.0 586.4246 1100.0 596.4259 12000.0 597.4292 1900.0 643.402 1200.0 651.407 3600.0 661.4532 2900.0 667.4632 1600.0 669.417 14000.0 670.4197 1700.0 679.4623 6600.0 682.3641 4400.0 683.433 12000.0 684.4361 1700.0 684.4891 1500.0 685.4484 11000.0 686.4512 4200.0 687.4275 100000.0 688.4305 10000.0 693.4422 2000.0 695.4935 1000.0 697.4369 2800.0 697.4734 4800.0 699.4622 2200.0 700.4664 2500.0 701.4429 14000.0 709.509 1700.0 711.4533 4700.0 776.4783 3900.0 777.4822 1100.0 792.5474 2800.0 794.4899 5700.0 810.5552 2100.0 812.4995 6600.0 813.5009 1100.0 861.5665 1700.0 879.5791 1300.0 889.5621 4900.0 895.5706 1400.0 906.5995 1000.0 907.5726 9500.0 908.5771 2400.0 921.5871 1400.0 924.6101 1100.0 925.5829 13000.0 926.5854 2900.0 974.6506 2400.0 975.6484 1000.0 976.6323 1200.0 990.6473 1600.0 992.6599 3300.0 993.6483 2000.0 994.6409 4900.0 1002.6475 7400.0 1003.6473 1700.0 1008.6579 11000.0 1009.6594 1800.0 1010.6726 9500.0 1011.6736 1900.0 1020.6576 59000.0 1021.6614 13000.0 1037.6957 4400.0 1038.6675 73000.0 1039.6709 16000.0 1048.5656 1700.0 1049.5645 1500.0 1065.5823 1600.0 1066.5756 3300.0 1067.5791 2200.0 END IONS BEGIN IONS SCANS=420 PEPMASS=1038.6672 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 87.0445 1000.0 89.0601 1800.0 91.506 1100.0 115.0756 1600.0 117.0912 5300.0 133.0859 2000.0 175.1328 2600.0 199.18 1000.0 227.1754 3300.0 229.1181 2200.0 233.1748 1400.0 245.1857 1800.0 326.2433 1200.0 328.1858 2700.0 342.202 3200.0 354.2278 1400.0 355.186 4700.0 357.3107 4600.0 360.2128 2100.0 423.2598 1300.0 437.301 1000.0 441.2701 9800.0 442.2741 1800.0 449.3011 1200.0 454.2539 4900.0 455.2856 2800.0 455.3109 2000.0 457.2653 1100.0 459.2808 1800.0 465.2958 1300.0 467.3115 2300.0 470.3956 1800.0 485.3221 2100.0 508.3495 1500.0 536.3435 1000.0 550.3833 2500.0 554.3546 4300.0 554.3795 1500.0 562.3848 1400.0 568.3698 1400.0 568.395 4100.0 569.2816 2800.0 572.3648 2700.0 578.3802 1200.0 579.3825 2400.0 580.3949 2400.0 582.4124 1300.0 585.422 3700.0 597.3934 1000.0 598.4062 2600.0 649.4521 2100.0 653.423 2300.0 661.4536 2100.0 667.4365 1400.0 667.4637 4000.0 668.4421 1000.0 671.4327 23000.0 678.4507 1500.0 679.4649 2200.0 681.4794 1700.0 682.3649 1200.0 683.4302 1500.0 685.4484 16000.0 686.4523 7000.0 687.4275 1700.0 687.4541 2100.0 695.4221 1500.0 697.4711 1200.0 699.4639 9200.0 700.4679 1400.0 701.4432 6000.0 764.48 1100.0 766.5311 1100.0 782.4929 2100.0 792.5472 1100.0 794.489 1400.0 877.5626 1400.0 881.5573 1400.0 895.5731 5100.0 907.5742 2400.0 909.591 2200.0 921.5856 1000.0 925.582 2000.0 939.5992 1000.0 966.6494 2500.0 976.6315 6400.0 994.6425 35000.0 1002.6496 2200.0 1004.6625 1800.0 1008.6582 5000.0 1010.6702 2100.0 1011.6721 1000.0 1020.6575 16000.0 1021.6627 3700.0 1022.6733 9100.0 1037.6525 1800.0 1037.6963 1100.0 1038.6672 26000.0 1039.6709 5700.0 END IONS BEGIN IONS SCANS=421 PEPMASS=1038.6675 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 3800.0 87.0445 1000.0 89.0601 1800.0 91.506 1100.0 115.0756 1600.0 117.0912 5300.0 133.0859 2000.0 175.1328 2600.0 199.18 1000.0 227.1754 3300.0 229.1181 2200.0 233.1748 1400.0 245.1857 1800.0 326.2433 1200.0 328.1858 2700.0 342.202 3200.0 354.2278 1400.0 355.186 4700.0 357.3107 4600.0 360.2128 2100.0 423.2598 1300.0 437.301 1000.0 441.2701 9800.0 442.2741 1800.0 449.3011 1200.0 454.2539 4900.0 455.2856 2800.0 455.3109 2000.0 457.2653 1100.0 459.2808 1800.0 465.2958 1300.0 467.3115 2300.0 470.3956 1800.0 485.3221 2100.0 508.3495 1500.0 536.3435 1000.0 550.3833 2500.0 554.3546 4300.0 554.3795 1500.0 562.3848 1400.0 568.3698 1400.0 568.395 4100.0 569.2816 2800.0 572.3648 2700.0 578.3802 1200.0 579.3825 2400.0 580.3949 2400.0 582.4124 1300.0 585.422 3700.0 597.3934 1000.0 598.4062 2600.0 649.4521 2100.0 653.423 2300.0 661.4536 2100.0 667.4365 1400.0 667.4637 4000.0 668.4421 1000.0 671.4327 23000.0 678.4507 1500.0 679.4649 2200.0 681.4794 1700.0 682.3649 1200.0 683.4302 1500.0 685.4484 16000.0 686.4523 7000.0 687.4275 1700.0 687.4541 2100.0 695.4221 1500.0 697.4711 1200.0 699.4639 9200.0 700.4679 1400.0 701.4432 6000.0 764.48 1100.0 766.5311 1100.0 782.4929 2100.0 792.5472 1100.0 794.489 1400.0 877.5626 1400.0 881.5573 1400.0 895.5731 5100.0 907.5742 2400.0 909.591 2200.0 921.5856 1000.0 925.582 2000.0 939.5992 1000.0 966.6494 2500.0 976.6315 6400.0 994.6425 35000.0 1002.6496 2200.0 1004.6625 1800.0 1008.6582 5000.0 1010.6702 2100.0 1011.6721 1000.0 1020.6575 16000.0 1021.6627 3700.0 1022.6733 9100.0 1037.6525 1800.0 1037.6963 1100.0 1038.6672 26000.0 1039.6709 5700.0 END IONS BEGIN IONS SCANS=422 PEPMASS=1039.7017 CHARGE=1 COLLISION_ENERGY=0.0 84.0811 1700.0 85.0763 1200.0 86.0965 7000.0 115.0752 1000.0 117.0909 3100.0 133.0856 1700.0 175.1324 2000.0 180.998 1000.0 201.1233 2000.0 225.1593 2300.0 227.1749 4800.0 229.118 4600.0 233.1739 1200.0 243.1699 2800.0 245.1854 5100.0 253.007 1000.0 294.902 1000.0 310.2009 1800.0 326.243 3000.0 328.1857 8100.0 328.2111 2200.0 329.1903 1000.0 338.2316 4700.0 342.2014 3800.0 342.2381 3400.0 354.2271 6300.0 355.2308 1100.0 356.2423 3200.0 357.3099 1400.0 360.2121 7000.0 395.264 2900.0 413.2746 1200.0 423.2597 3500.0 423.2841 6000.0 432.9357 1000.0 437.2746 1000.0 439.2543 5700.0 440.2578 2300.0 441.2702 27000.0 441.2946 7100.0 442.2733 3800.0 449.3008 1900.0 451.3163 2100.0 455.2856 2800.0 457.2645 4100.0 458.2682 1600.0 459.2805 8900.0 459.3062 3300.0 460.2834 1100.0 467.3112 1400.0 469.3262 4000.0 470.3284 2000.0 478.8653 1000.0 508.349 3800.0 518.3601 1800.0 526.3593 2400.0 536.3436 5700.0 536.3687 7600.0 537.3508 1100.0 538.3466 1200.0 552.2997 1100.0 552.3376 4700.0 553.3398 1700.0 554.3543 12000.0 554.3794 20000.0 555.3569 2000.0 555.3818 1800.0 556.3221 2000.0 562.3843 3900.0 570.3494 3500.0 571.3516 1300.0 572.3651 6600.0 573.3676 1500.0 579.3834 1500.0 580.3957 4800.0 581.3986 1200.0 582.4106 4600.0 584.3513 1200.0 585.3569 1200.0 585.4225 1100.0 586.3807 2100.0 596.0859 1200.0 598.4044 2000.0 599.408 1300.0 600.773 1100.0 617.425 2400.0 635.4377 9800.0 637.3792 1300.0 639.4424 2100.0 649.4263 1600.0 651.3967 2000.0 653.4472 21000.0 654.4515 2100.0 661.454 3200.0 662.4546 2000.0 665.4222 3000.0 666.422 1500.0 667.4374 13000.0 667.4642 2100.0 668.4429 3100.0 669.4062 9400.0 675.3644 1300.0 679.4278 1400.0 679.4626 6700.0 680.4658 3700.0 683.4335 20000.0 684.4362 12000.0 685.4485 160000.0 686.4516 29000.0 687.4576 2900.0 695.4933 1400.0 697.4365 6300.0 697.4721 2900.0 698.4412 3400.0 701.4431 23000.0 702.4467 17000.0 711.4893 2800.0 722.4267 1100.0 723.4528 2100.0 728.9313 1100.0 732.4564 1600.0 736.4871 1000.0 750.4629 6800.0 764.4794 1900.0 766.5313 7100.0 768.4742 9200.0 769.4771 1400.0 776.4817 1100.0 777.4835 2300.0 780.5463 1800.0 782.4898 2200.0 792.5475 1700.0 794.4894 1900.0 795.4918 1700.0 796.5074 1800.0 797.508 1300.0 810.5198 3200.0 810.5594 2800.0 811.5233 2300.0 811.5602 2800.0 824.576 1800.0 835.5532 6700.0 845.5356 2800.0 863.5477 13000.0 864.5519 1900.0 877.5638 2200.0 879.6188 1800.0 881.5587 23000.0 882.5613 4400.0 889.5625 2700.0 890.5676 3100.0 895.5722 6500.0 904.5761 1200.0 907.5759 6100.0 908.5776 5400.0 909.5884 1800.0 910.592 2500.0 921.589 3400.0 922.5924 1800.0 925.5828 2900.0 926.5856 2600.0 939.5996 1100.0 940.6057 1600.0 948.6381 2200.0 949.6208 3200.0 966.6467 15000.0 967.6535 2200.0 976.6316 39000.0 977.6353 7900.0 992.6636 3300.0 993.666 3700.0 994.6422 190000.0 995.6462 38000.0 1002.6467 3800.0 1003.6525 8000.0 1010.6727 2300.0 1011.6756 2800.0 1020.6579 39000.0 1021.6614 59000.0 1022.662 6000.0 1038.6121 1300.0 1038.6685 41000.0 1039.6111 2500.0 1039.6714 60000.0 1040.6769 9000.0 END IONS BEGIN IONS SCANS=423 PEPMASS=1039.7039 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 6100.0 87.0443 1900.0 89.06 2200.0 115.0754 2500.0 117.0911 7400.0 131.0883 1100.0 133.0859 3100.0 168.1063 1700.0 175.1329 4300.0 177.1118 1500.0 199.1802 1300.0 226.2158 1300.0 227.175 4800.0 229.1179 4000.0 233.1745 2700.0 245.1851 2000.0 324.2163 2100.0 326.2431 2400.0 328.186 4800.0 342.202 3600.0 342.2267 1200.0 346.1967 1900.0 354.2269 2000.0 355.1855 11000.0 356.1895 1900.0 357.3102 9500.0 358.3139 2500.0 360.2121 1900.0 395.265 2500.0 413.2746 1200.0 423.2597 3100.0 437.3006 3400.0 441.2699 18000.0 442.2726 2200.0 445.2646 1800.0 449.3 1900.0 454.2538 13000.0 455.2581 4500.0 455.2852 2300.0 455.3108 4700.0 459.2808 1600.0 459.3054 1000.0 467.3114 2900.0 470.3946 4200.0 471.3977 1900.0 508.3489 2200.0 526.3584 1400.0 532.3743 1500.0 536.3433 3900.0 540.3395 2200.0 550.3838 6300.0 551.3876 1000.0 552.3014 1100.0 554.3538 8800.0 554.3791 4500.0 555.3573 1600.0 558.3482 1900.0 562.3842 2200.0 568.3948 14000.0 569.2809 5000.0 569.3983 1200.0 570.2836 2500.0 572.3643 2800.0 580.3945 2300.0 581.3973 1600.0 585.4214 6700.0 586.4239 3600.0 631.4416 1700.0 635.4106 1000.0 649.4521 4700.0 651.3943 1400.0 653.4219 8200.0 667.4362 2800.0 667.4631 15000.0 668.4664 1800.0 669.4053 3400.0 671.4326 72000.0 672.436 10000.0 679.4618 1700.0 681.4771 1500.0 682.3643 2800.0 683.3685 1500.0 683.4222 1600.0 684.4901 1400.0 685.4481 26000.0 686.4515 6600.0 687.4272 1800.0 699.4644 5400.0 703.404 1100.0 764.4796 3800.0 766.5312 2200.0 780.548 1300.0 782.4889 5400.0 796.505 2000.0 835.5507 2300.0 863.5472 4000.0 864.5519 1400.0 877.563 4100.0 881.5591 2900.0 895.573 13000.0 896.577 2800.0 908.5768 1700.0 909.59 2400.0 925.5825 1300.0 926.5851 1100.0 948.6376 1100.0 958.6205 1200.0 966.6479 6500.0 967.6512 1900.0 976.6315 17000.0 977.6345 5000.0 980.6627 1700.0 990.6454 2900.0 994.642 92000.0 995.6447 23000.0 1003.6526 1100.0 1008.6575 21000.0 1009.6615 5500.0 1010.6686 1300.0 1020.6562 6700.0 1021.6609 9500.0 1022.6725 6600.0 1023.6744 2000.0 1038.6667 8500.0 1039.6711 12000.0 1040.6283 1300.0 END IONS BEGIN IONS SCANS=424 PEPMASS=1039.7102 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 4500.0 87.0446 1700.0 89.0601 3800.0 99.0808 1000.0 101.0965 1100.0 112.0873 1500.0 115.0755 3500.0 117.0911 8500.0 133.0858 3500.0 168.1068 1500.0 175.1328 4300.0 177.112 2200.0 199.1807 1200.0 201.1236 1200.0 227.1749 3500.0 229.1179 2500.0 233.1744 2500.0 245.1319 1900.0 245.1859 2500.0 291.2158 1100.0 324.2172 1600.0 326.2439 1400.0 328.1862 3400.0 338.2323 1900.0 342.2019 2400.0 344.2002 1900.0 352.2478 1300.0 356.2433 1300.0 360.2122 3400.0 409.2807 1100.0 437.2755 1700.0 437.2992 3400.0 441.2163 1400.0 441.2701 9000.0 442.2735 3100.0 455.2859 8700.0 455.3102 4500.0 457.2659 1900.0 459.2264 8600.0 459.2805 2400.0 465.3326 1300.0 466.3365 1300.0 469.2729 1800.0 469.326 2900.0 473.2432 1200.0 473.2972 1200.0 487.2823 2700.0 522.3646 1000.0 526.3058 1300.0 526.3591 1100.0 532.3753 1700.0 536.3439 1900.0 540.3743 1200.0 550.36 1500.0 550.3849 5500.0 554.3 1700.0 554.3547 4400.0 554.3804 1800.0 556.3602 1200.0 568.3707 3800.0 568.3957 11000.0 569.399 1800.0 570.34 1500.0 572.31 4100.0 572.3652 1800.0 578.4172 1300.0 579.4182 2200.0 580.4227 1500.0 582.3566 3100.0 582.4104 2800.0 584.354 1000.0 586.3809 3500.0 598.4051 1100.0 600.3673 6000.0 643.4014 7500.0 644.404 1100.0 649.4536 2600.0 653.4221 2700.0 657.4196 1300.0 663.4674 2800.0 665.4139 1500.0 667.4636 5400.0 669.4075 2100.0 671.433 30000.0 672.4355 3200.0 681.4245 1700.0 681.4534 3000.0 681.4799 6100.0 682.484 1200.0 683.4259 3400.0 685.397 3800.0 685.4481 9800.0 686.4513 6300.0 687.4553 3700.0 688.4581 1100.0 695.4937 1100.0 697.4386 2900.0 699.4352 4600.0 699.464 41000.0 700.4671 6300.0 701.4432 6700.0 702.4457 3600.0 703.405 37000.0 748.521 1100.0 751.4852 1800.0 764.4793 1800.0 766.5324 1300.0 778.496 2700.0 782.49 1600.0 794.5608 2800.0 796.452 1300.0 796.5057 4400.0 812.52 2200.0 814.4631 1300.0 828.4743 1000.0 835.5531 1500.0 863.5482 2300.0 863.5863 1600.0 877.5647 2200.0 881.5565 1900.0 891.5805 4300.0 895.575 5200.0 909.5353 2300.0 909.5906 11000.0 910.5934 1200.0 925.5869 1600.0 927.5463 4500.0 941.561 1300.0 966.649 4000.0 976.6313 8000.0 977.6385 1900.0 994.6419 50000.0 995.6461 9200.0 1002.65 1000.0 1004.6632 9400.0 1005.6647 2500.0 1008.6588 4700.0 1012.6353 4900.0 1020.6588 5500.0 1021.6617 8900.0 1022.6191 5700.0 1022.6731 47000.0 1023.6776 13000.0 1038.6666 7400.0 1039.673 10000.0 1040.63 27000.0 END IONS BEGIN IONS SCANS=425 PEPMASS=1040.6313 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 6100.0 87.0443 2100.0 89.06 3200.0 91.5061 1700.0 99.0807 1500.0 104.0531 1400.0 115.0756 2200.0 117.0912 7700.0 131.0884 1100.0 133.0859 4200.0 175.1328 4800.0 177.1124 1100.0 199.1805 1600.0 201.1232 1100.0 227.1752 5500.0 229.1185 2200.0 233.1746 3300.0 245.1315 1600.0 245.1857 1700.0 247.0742 1000.0 263.1422 2600.0 326.2428 3200.0 328.1864 4300.0 329.1904 1000.0 338.2321 5900.0 342.2017 2000.0 346.1425 1500.0 356.2422 3400.0 360.1586 1600.0 360.2119 2100.0 378.1688 3500.0 395.2654 2700.0 423.2593 3600.0 423.2845 1000.0 427.2547 3100.0 433.3057 1000.0 439.2546 2700.0 441.2701 19000.0 442.2728 2900.0 451.3162 8300.0 455.2853 1500.0 459.2263 6700.0 459.2807 2400.0 469.3268 10000.0 470.3307 1400.0 473.2424 2600.0 477.2375 2600.0 487.3372 1300.0 526.3052 2000.0 536.3449 1100.0 536.3686 1300.0 544.3161 1100.0 546.3899 2100.0 554.3 1600.0 554.3539 4200.0 554.3792 3300.0 555.3829 1500.0 563.3887 1100.0 564.4009 6000.0 568.3933 1100.0 572.3104 8100.0 572.3662 2400.0 573.3676 1200.0 575.5032 1300.0 581.3978 1500.0 582.3565 1400.0 582.4105 13000.0 583.4135 1900.0 584.3536 1300.0 586.326 1200.0 590.321 5000.0 600.3667 6900.0 604.3365 2700.0 635.4368 1500.0 645.4587 2000.0 653.4223 1700.0 653.4473 1800.0 654.4257 1200.0 654.4525 1500.0 657.42 1000.0 663.4687 3600.0 671.4329 19000.0 672.4355 9300.0 679.4275 1100.0 680.4663 1500.0 681.4256 1500.0 681.4786 8400.0 682.4819 1700.0 683.433 3700.0 684.437 8900.0 685.3945 10000.0 685.4487 7000.0 686.4517 5700.0 687.3984 1100.0 687.4551 2500.0 688.4577 1300.0 695.4944 1600.0 697.3835 1400.0 697.437 2400.0 698.4413 1800.0 699.436 1800.0 699.4659 1500.0 700.4666 1100.0 701.4436 2500.0 702.4465 6600.0 703.405 97000.0 704.4078 12000.0 713.4512 2300.0 715.3938 4600.0 717.4211 1500.0 760.4857 1000.0 764.48 1100.0 769.4402 1300.0 778.4958 2400.0 794.5611 2100.0 796.4517 1600.0 796.5053 4300.0 797.5092 1300.0 810.4672 1400.0 812.5198 2700.0 814.4636 2400.0 828.4789 3200.0 863.5845 1700.0 881.5409 1800.0 882.5238 1500.0 882.5601 1800.0 891.5773 3300.0 896.5766 1700.0 908.5748 2100.0 909.5351 4400.0 909.5857 3700.0 910.5389 1000.0 910.5928 1500.0 923.5497 1700.0 927.5454 9500.0 928.5489 1800.0 941.5618 5000.0 942.5664 1200.0 964.6323 1700.0 966.6481 1400.0 967.6486 1600.0 976.6332 4700.0 977.6351 4700.0 993.6658 1300.0 994.6423 25000.0 995.6463 28000.0 996.6489 3300.0 1003.6511 2300.0 1004.6517 2300.0 1008.6588 1600.0 1009.6581 1400.0 1012.6351 9700.0 1013.6363 2000.0 1021.6609 19000.0 1022.6183 14000.0 1022.665 15000.0 1023.6194 2800.0 1023.6669 1700.0 1039.6685 9700.0 1040.6295 64000.0 1040.673 4200.0 1041.6329 16000.0 END IONS BEGIN IONS SCANS=426 PEPMASS=1040.6304 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 5600.0 87.0442 2500.0 89.0601 5900.0 99.0806 2000.0 101.0598 1000.0 101.0962 1800.0 104.0532 1300.0 108.0859 1100.0 115.0755 4600.0 117.0911 11000.0 124.0805 1300.0 133.0856 4500.0 146.0935 1300.0 153.1012 1300.0 175.1145 1500.0 175.1327 8000.0 177.1119 2000.0 201.1233 1500.0 217.1367 1300.0 227.1755 2800.0 229.1181 3700.0 233.1747 3200.0 245.1313 3400.0 245.1859 4000.0 291.2159 1600.0 324.2163 1000.0 326.2433 1100.0 328.1859 4500.0 338.2316 4900.0 342.2018 2600.0 344.199 3200.0 356.2426 3700.0 357.311 1100.0 360.2124 5500.0 395.2649 1000.0 413.2214 1000.0 413.239 1600.0 423.2595 1400.0 425.2388 1100.0 437.3003 1100.0 441.216 2400.0 441.2698 9400.0 441.2954 1500.0 442.2733 2500.0 443.2498 1500.0 444.2523 1300.0 451.3158 1700.0 455.2852 1400.0 455.3106 1500.0 459.2262 15000.0 459.2808 4400.0 460.2293 1300.0 469.272 3700.0 469.3259 3500.0 471.269 1500.0 473.2421 2400.0 487.2827 4000.0 508.3492 1300.0 526.3044 1900.0 526.3234 1100.0 536.3439 2200.0 536.3685 1300.0 544.3157 1600.0 550.3845 2200.0 554.3001 2500.0 554.3539 5100.0 554.3796 4800.0 555.3576 1500.0 555.3825 1500.0 564.3465 1800.0 568.3942 3000.0 572.3101 7300.0 572.3644 3000.0 573.3141 1100.0 582.3553 4600.0 582.41 6300.0 583.3598 1100.0 584.3528 1200.0 585.3576 1000.0 586.3251 1100.0 590.3209 2300.0 600.367 9300.0 604.3357 1800.0 635.437 1800.0 636.4401 1500.0 649.4521 1200.0 653.4474 4800.0 654.4501 3100.0 657.4177 9900.0 658.4211 5700.0 663.4139 1400.0 667.4376 3400.0 667.4644 2400.0 668.4396 1300.0 669.4072 1700.0 671.4335 4400.0 672.4349 2600.0 681.4256 3500.0 683.4282 1600.0 684.4349 2000.0 685.3973 5800.0 685.4483 38000.0 686.4513 21000.0 687.4272 3800.0 687.4553 2000.0 688.4305 7500.0 689.4329 3500.0 697.4377 5000.0 698.4405 1800.0 699.4349 10000.0 700.4377 1100.0 701.4434 1200.0 702.4466 2100.0 703.4047 63000.0 704.4077 9100.0 713.4518 1500.0 750.4647 2200.0 764.4786 1100.0 766.5336 1600.0 768.4735 1900.0 769.4776 1100.0 780.5478 1100.0 782.4899 1000.0 783.4927 1100.0 796.4501 2700.0 796.5049 1600.0 812.5212 4100.0 814.4635 2500.0 828.4774 1600.0 835.553 1500.0 836.5541 1500.0 863.5496 3000.0 864.5517 2600.0 877.5619 1000.0 878.5685 1300.0 881.5599 5400.0 882.5612 4600.0 895.5751 2800.0 896.5774 2100.0 908.5767 1700.0 909.5348 4300.0 909.5847 1700.0 923.5484 1000.0 926.588 2000.0 927.5465 8300.0 927.5904 1300.0 928.5479 1200.0 941.5626 3300.0 966.6464 3100.0 967.6528 2800.0 976.6318 7400.0 977.6351 6300.0 990.6474 1700.0 991.6506 2400.0 994.642 34000.0 995.6456 38000.0 996.647 3800.0 1008.658 10000.0 1009.6603 11000.0 1010.665 1300.0 1011.678 1400.0 1012.6342 6000.0 1013.6396 1400.0 1021.6611 9000.0 1022.6188 8600.0 1022.6652 4900.0 1023.6188 2200.0 1039.6697 9800.0 1040.6292 41000.0 1040.676 4700.0 1041.6327 10000.0 END IONS BEGIN IONS SCANS=427 PEPMASS=1040.6309 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7300.0 87.0443 2700.0 89.0601 4500.0 99.0807 1400.0 112.0871 1200.0 115.0753 3200.0 117.0911 12000.0 124.0804 1100.0 133.0858 4000.0 137.1065 1200.0 153.1014 1100.0 157.122 1100.0 168.1067 1600.0 173.1167 1200.0 175.1326 6800.0 177.1122 2900.0 199.1805 1300.0 201.1233 1900.0 227.175 3900.0 229.1182 5200.0 231.1699 1200.0 233.1746 4300.0 245.1315 5300.0 245.1857 3400.0 291.2165 1600.0 324.2171 1600.0 326.2431 1600.0 328.1861 6200.0 338.2316 6400.0 342.2016 3500.0 342.2269 1400.0 344.199 5200.0 356.2423 3400.0 357.3104 1100.0 360.2122 5000.0 413.2205 2500.0 413.2749 1300.0 423.26 1400.0 437.2993 3100.0 438.3042 1100.0 441.2152 2600.0 441.2698 13000.0 442.273 2700.0 445.2646 1300.0 455.2855 6900.0 455.3097 4800.0 456.2883 2500.0 456.3132 1500.0 459.2263 21000.0 459.2797 3200.0 460.2278 1100.0 469.2729 6300.0 469.3267 3800.0 471.2687 1200.0 473.2421 1900.0 473.2963 1400.0 487.2834 5300.0 487.337 1100.0 508.3486 2000.0 526.3054 2600.0 532.3738 2100.0 536.3449 1700.0 544.3145 2200.0 550.3841 4300.0 551.3879 1900.0 554.3003 3200.0 554.3542 4600.0 554.3789 3100.0 554.4142 1800.0 555.359 1200.0 555.3828 1600.0 564.3461 3600.0 568.3692 2500.0 568.3947 10000.0 569.3979 4700.0 572.3102 9300.0 572.3638 4400.0 582.3563 6900.0 582.4095 4900.0 584.3535 1900.0 586.3261 1200.0 586.3798 1600.0 590.3201 1200.0 600.3668 13000.0 601.3705 1000.0 604.3358 2400.0 637.4157 1200.0 643.4011 2500.0 644.4053 1300.0 649.4525 2500.0 650.4568 1300.0 651.3951 1100.0 653.4219 5600.0 654.4264 2400.0 663.4145 1900.0 663.4674 1400.0 664.4717 1100.0 665.4106 1400.0 667.4631 7000.0 668.4665 3200.0 669.4053 1500.0 670.4112 1100.0 671.4326 36000.0 672.436 22000.0 673.4371 1700.0 679.4257 1000.0 681.4274 3700.0 681.4528 1300.0 681.4787 4600.0 682.4825 2800.0 683.4202 2800.0 684.4254 1300.0 685.3943 8500.0 685.4474 5700.0 686.4001 1000.0 686.451 3500.0 687.4551 1200.0 697.4383 5400.0 698.4415 1700.0 699.4344 11000.0 699.4643 25000.0 700.438 1200.0 700.4669 16000.0 701.4418 1400.0 702.4476 2200.0 703.4047 82000.0 704.4077 9800.0 713.4506 1900.0 751.4804 1000.0 765.4837 1300.0 766.5315 1800.0 767.5341 1200.0 778.4941 1300.0 779.4966 1100.0 782.4886 2100.0 783.4918 1700.0 794.5613 1800.0 795.5667 1100.0 796.4518 3500.0 796.5059 3400.0 797.508 1400.0 810.4675 1400.0 812.5185 5200.0 814.4627 4100.0 828.4782 2200.0 835.5538 1500.0 863.5486 2400.0 864.552 1900.0 877.5629 1600.0 878.5656 1500.0 881.5443 2000.0 882.522 1000.0 891.5766 2600.0 892.5819 1600.0 895.5735 5200.0 896.5762 4500.0 909.5403 4900.0 909.5848 5200.0 910.5933 4100.0 923.5527 1200.0 927.5455 12000.0 928.549 1700.0 941.5618 4300.0 966.6488 3000.0 967.6508 3500.0 976.6296 6800.0 977.6334 9200.0 994.6412 37000.0 995.6448 47000.0 996.649 6200.0 1004.6618 4600.0 1005.6644 4900.0 1008.6562 2300.0 1009.6623 2800.0 1012.6354 9300.0 1013.6402 2300.0 1021.6605 4200.0 1022.6179 9300.0 1022.6726 22000.0 1023.6225 2000.0 1023.6755 27000.0 1024.6808 3300.0 1039.6722 4700.0 1040.6293 50000.0 1041.6318 11000.0 END IONS BEGIN IONS SCANS=428 PEPMASS=1040.6323 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1000.0 86.0967 2100.0 87.0444 3000.0 89.06 4400.0 99.0809 2400.0 101.0963 1300.0 112.0873 1600.0 115.0755 3900.0 116.0835 1300.0 117.0912 12000.0 133.0858 3500.0 157.1225 1800.0 168.1065 1200.0 175.1327 8400.0 177.1121 2300.0 227.1755 3900.0 229.1185 1600.0 233.1743 4600.0 249.127 1000.0 291.2162 1900.0 326.2443 1500.0 328.1864 2200.0 342.2022 1500.0 352.2473 2600.0 364.154 1700.0 370.2596 1400.0 395.2653 1600.0 423.259 2300.0 441.2704 9700.0 442.2741 1900.0 445.2109 2600.0 455.2867 1800.0 459.2263 1100.0 463.2223 1100.0 465.3309 4200.0 483.3418 3300.0 487.284 1700.0 508.3487 1800.0 526.3586 1000.0 554.3537 4000.0 555.3579 1400.0 558.2935 2000.0 560.4054 1600.0 572.3705 1300.0 576.3062 1600.0 578.4158 2100.0 590.3214 1800.0 596.4265 4300.0 600.3666 3800.0 671.3798 3100.0 671.4327 3200.0 672.4365 1200.0 677.4836 2100.0 685.448 2500.0 686.452 2600.0 687.4542 1600.0 689.389 42000.0 690.3928 5500.0 695.4951 3600.0 697.3837 1000.0 699.4368 1200.0 703.4052 2300.0 713.4509 1500.0 715.392 2600.0 792.5106 1000.0 794.5092 1400.0 796.452 1400.0 812.5203 4400.0 828.4774 1700.0 881.5405 2300.0 882.5272 1500.0 909.5372 4800.0 923.5544 1000.0 923.604 1600.0 927.5468 4500.0 941.5619 2400.0 977.6328 1100.0 994.6429 4900.0 995.6494 5200.0 1012.6348 4700.0 1021.6628 3000.0 1022.6189 6600.0 1022.6675 2200.0 1023.6232 1500.0 1039.6702 5300.0 1040.6299 35000.0 1040.6736 2300.0 1041.6328 6300.0 END IONS BEGIN IONS SCANS=429 PEPMASS=1040.6841 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1500.0 86.0948 1100.0 86.0967 12000.0 102.055 1000.0 117.0909 1500.0 175.1322 1400.0 199.1805 3000.0 201.1232 1900.0 213.1595 1800.0 227.1751 21000.0 229.118 4800.0 231.1698 2200.0 245.1855 7800.0 281.2216 1600.0 298.2483 1200.0 326.2433 15000.0 327.2469 1400.0 328.1861 14000.0 338.2316 3600.0 342.202 3100.0 344.254 3600.0 356.2426 31000.0 357.2456 1400.0 360.2121 9500.0 370.2576 1100.0 395.2641 2600.0 413.2752 2900.0 423.2582 3200.0 423.3221 1100.0 441.2701 91000.0 441.3308 1400.0 442.2736 8400.0 451.3159 8700.0 452.3195 2100.0 455.2859 4200.0 457.265 1300.0 459.2807 21000.0 460.2831 1200.0 469.3266 140000.0 470.33 13000.0 483.3422 4100.0 508.3492 2000.0 526.3598 4500.0 536.3434 3600.0 546.3891 1700.0 554.3539 23000.0 554.4147 4100.0 555.3578 2100.0 564.3998 15000.0 565.4035 3500.0 568.3705 1100.0 572.3643 22000.0 573.3687 2500.0 575.5027 2000.0 582.4103 180000.0 583.4136 19000.0 596.4255 5600.0 651.4298 1100.0 653.4843 2800.0 663.468 11000.0 664.4717 2300.0 667.438 14000.0 668.4412 1700.0 671.3783 6900.0 681.4786 78000.0 682.4816 11000.0 683.4335 4500.0 684.4368 8400.0 685.4483 210000.0 686.4515 29000.0 695.4944 2100.0 701.4448 2000.0 702.4467 2200.0 703.4495 1500.0 750.4987 2700.0 760.4835 1100.0 778.4937 8000.0 779.499 1500.0 796.5043 6400.0 891.58 2200.0 908.5759 1000.0 909.59 13000.0 910.5931 3800.0 980.6276 1500.0 1003.6514 1600.0 1004.6575 1700.0 1021.6612 15000.0 1022.6669 13000.0 1023.6729 1400.0 1039.6716 3400.0 1040.6797 2400.0 END IONS BEGIN IONS SCANS=430 PEPMASS=1042.61 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 180.1017 1200.0 245.1854 1600.0 247.1106 1700.0 261.1262 5500.0 279.1369 1200.0 324.2161 2900.0 342.2263 1200.0 360.1943 4900.0 362.1372 3300.0 376.1526 1100.0 411.2226 1700.0 437.2993 3600.0 441.2698 1700.0 455.3109 3600.0 457.2107 3800.0 459.2796 2500.0 475.2213 28000.0 476.2243 1800.0 489.2362 1200.0 524.3068 1900.0 542.3 2400.0 550.3864 1000.0 560.3098 2100.0 566.3243 3300.0 568.3953 4800.0 570.2949 2100.0 570.3378 1300.0 584.3347 5400.0 588.3049 12000.0 602.3457 7800.0 603.3499 1200.0 606.3157 5000.0 620.3314 1800.0 637.3906 2300.0 637.417 1200.0 655.402 7400.0 656.4047 1500.0 665.391 1100.0 673.3934 1500.0 683.4021 2800.0 683.4229 3000.0 701.3883 10000.0 701.4152 5800.0 702.3916 1800.0 715.4291 1500.0 717.3739 1600.0 719.3995 110000.0 720.4029 13000.0 737.4688 2300.0 780.4193 1800.0 782.4904 2400.0 796.5033 1500.0 798.4306 4800.0 814.4988 4600.0 816.4412 7300.0 847.5157 1000.0 850.5496 1300.0 865.5238 1900.0 883.5189 2000.0 911.5147 7400.0 929.5249 16000.0 930.5287 2100.0 943.5414 3800.0 950.6145 1400.0 960.6001 4500.0 978.6108 26000.0 979.6158 5000.0 996.6026 1900.0 997.5877 1800.0 1006.5896 1900.0 1014.6133 12000.0 1015.6142 2200.0 1024.5986 21000.0 1025.6001 3400.0 1042.609 110000.0 1043.6122 22000.0 END IONS BEGIN IONS SCANS=431 PEPMASS=1042.6105 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 1800.0 229.1181 1300.0 233.1322 2400.0 245.1853 1800.0 259.0741 1300.0 261.1265 12000.0 277.0848 1800.0 324.2163 4800.0 328.1862 1600.0 332.1996 4800.0 342.2013 1300.0 342.2271 2000.0 343.2949 1100.0 360.1946 26000.0 360.2107 3000.0 361.1974 1200.0 376.153 1400.0 378.2049 1900.0 383.1922 1200.0 411.2233 2700.0 429.216 2800.0 441.2703 2200.0 453.2411 6500.0 455.3111 3100.0 457.2112 4000.0 459.281 4000.0 471.2517 17000.0 472.2547 1500.0 475.2215 34000.0 476.2251 2800.0 489.2374 1600.0 489.2621 13000.0 490.2661 1100.0 496.2755 1900.0 524.3076 3500.0 538.3302 1100.0 540.4002 1300.0 542.3013 2400.0 554.3537 2300.0 559.2432 1700.0 560.3091 2800.0 566.325 5200.0 568.3958 2700.0 570.2941 5500.0 570.3375 2100.0 572.3652 2500.0 574.3509 1400.0 584.3355 14000.0 585.339 1500.0 588.3053 14000.0 589.3091 1000.0 602.3461 20000.0 603.3502 2200.0 606.3157 2000.0 620.3314 2000.0 637.3917 4700.0 637.4167 1300.0 651.4307 1100.0 655.404 9300.0 665.3885 4800.0 665.4147 1800.0 673.3945 1700.0 673.4207 1100.0 683.4043 10000.0 683.4257 4200.0 701.3887 17000.0 701.4149 30000.0 702.3923 1900.0 702.42 2600.0 705.3833 2500.0 715.4301 3100.0 719.4 130000.0 720.4033 17000.0 737.4702 2500.0 764.4788 1400.0 770.4357 1400.0 780.4197 4100.0 782.4896 2000.0 796.4877 2500.0 798.4304 9400.0 799.4334 1400.0 812.4467 3300.0 814.4984 11000.0 815.501 2500.0 816.4417 12000.0 817.444 2800.0 828.5158 1000.0 830.4591 3400.0 847.517 2200.0 865.5276 2300.0 883.5199 6200.0 884.5112 1400.0 893.5045 2900.0 911.515 14000.0 912.5155 2500.0 915.5436 1400.0 925.5317 2800.0 927.5825 1700.0 929.5256 29000.0 930.5293 3800.0 932.6061 1400.0 943.5405 6700.0 944.5404 1300.0 950.6146 2700.0 960.601 7200.0 961.6039 1900.0 978.6115 34000.0 979.616 6100.0 996.6036 4000.0 997.5917 1800.0 1006.5873 3600.0 1014.6151 20000.0 1015.6187 3500.0 1024.5988 36000.0 1025.6022 9600.0 1042.6096 140000.0 1043.6127 35000.0 END IONS BEGIN IONS SCANS=432 PEPMASS=1042.6436 CHARGE=1 COLLISION_ENERGY=0.0 72.0812 1300.0 75.7092 1100.0 84.0445 1700.0 85.9121 1100.0 85.9249 1200.0 86.0968 30000.0 86.757 1300.0 98.2449 1100.0 101.9983 1100.0 106.7367 1100.0 111.0251 1100.0 117.0909 1900.0 117.4423 1300.0 125.9354 1100.0 130.0499 1700.0 132.1019 1600.0 150.3668 1200.0 183.1132 1500.0 187.4612 1300.0 192.0948 1100.0 199.1806 7700.0 201.1234 6200.0 209.0373 3300.0 211.1472 1300.0 213.1596 2300.0 227.1753 40000.0 229.1179 17000.0 231.1697 3200.0 243.133 3100.0 245.1854 19000.0 255.1696 1600.0 269.2388 1200.0 281.2218 2400.0 282.3792 1200.0 283.2002 1500.0 291.313 1400.0 293.1849 2100.0 295.2372 1700.0 296.1964 2400.0 297.1804 2000.0 298.2478 1300.0 299.4159 1300.0 311.1966 1800.0 313.1377 1600.0 315.5379 1500.0 324.1906 2800.0 326.2429 21000.0 328.1863 31000.0 330.2058 1600.0 331.1019 1400.0 339.4677 1500.0 340.1898 2200.0 340.259 2400.0 342.2016 20000.0 344.2535 2800.0 358.2005 38000.0 358.2688 1800.0 359.2041 1600.0 360.212 25000.0 376.2108 23000.0 377.2149 1400.0 377.2802 7000.0 390.114 1200.0 392.2532 1600.0 395.2645 21000.0 396.2491 4300.0 408.2113 1500.0 408.9454 1200.0 409.2795 4300.0 410.2639 1300.0 413.2755 7600.0 414.2591 3800.0 422.6563 1300.0 423.2595 25000.0 424.2617 1200.0 425.2794 1800.0 427.2905 2200.0 430.0032 1500.0 437.275 5400.0 439.327 2900.0 441.2701 150000.0 442.274 9700.0 443.2901 2100.0 451.2542 2200.0 453.2737 9500.0 454.2748 1500.0 455.2855 21000.0 457.3374 5200.0 459.2808 28000.0 460.2838 1800.0 461.3002 3900.0 471.2844 54000.0 471.3529 3300.0 472.2882 4100.0 473.2957 3800.0 475.2787 1500.0 484.7005 2400.0 489.295 77000.0 490.2985 8200.0 490.3632 2200.0 491.2373 5500.0 507.2809 2300.0 507.3058 11000.0 508.3484 26000.0 509.333 4200.0 509.3506 2500.0 525.291 4300.0 526.3592 15000.0 527.3433 4100.0 536.3428 25000.0 537.3466 2500.0 538.3625 3500.0 552.3016 5600.0 552.3429 2100.0 554.3536 75000.0 555.3569 6900.0 556.373 3300.0 558.3169 3200.0 566.358 23000.0 567.3623 2300.0 568.3018 1500.0 568.37 12000.0 570.3524 2500.0 570.4205 2900.0 572.3645 34000.0 573.3674 2800.0 574.3835 12000.0 583.4154 1600.0 584.3685 65000.0 585.3715 6400.0 586.311 5100.0 586.3796 19000.0 587.3842 2000.0 588.3638 4400.0 602.3787 150000.0 603.3819 17000.0 604.3214 14000.0 605.3901 3700.0 619.4053 1600.0 620.3653 1600.0 620.3893 1300.0 621.4313 5900.0 622.4154 1700.0 630.3724 1400.0 638.3724 1600.0 639.4432 7400.0 640.4244 2500.0 644.5013 1300.0 649.4268 7000.0 665.3848 2200.0 665.4261 16000.0 666.4307 2300.0 667.3722 2000.0 667.4376 65000.0 668.4396 9900.0 671.4002 6300.0 672.4003 1500.0 673.4532 2000.0 676.3219 1200.0 681.3858 2800.0 682.4799 1800.0 683.4367 41000.0 684.4396 5900.0 685.4483 660000.0 686.4517 80000.0 687.468 5200.0 689.4112 4300.0 697.4528 4400.0 699.3948 19000.0 701.447 90000.0 702.451 14000.0 703.3892 5400.0 704.4566 2200.0 715.463 21000.0 716.4654 1600.0 717.4057 50000.0 718.4094 5500.0 725.4489 1800.0 727.3897 1600.0 732.4902 1700.0 732.6342 1300.0 743.4586 3500.0 770.4681 8800.0 771.4513 11000.0 772.455 2700.0 780.4526 9300.0 784.4839 5600.0 786.534 5700.0 794.4671 3500.0 795.4527 2500.0 796.5191 7200.0 798.4632 35000.0 799.4681 5500.0 800.5526 2100.0 802.4943 2100.0 812.4787 14000.0 813.4821 2700.0 814.5315 41000.0 815.535 7600.0 816.474 38000.0 817.4769 5900.0 828.5464 4100.0 830.4892 22000.0 831.4926 4000.0 865.5451 5600.0 866.5256 1900.0 871.4608 1300.0 882.5936 4200.0 883.5514 26000.0 884.534 15000.0 885.5396 3000.0 893.5372 8600.0 901.5627 7200.0 907.553 1300.0 910.6 1400.0 911.5475 46000.0 912.5493 7500.0 915.5778 3700.0 925.5612 10000.0 927.6145 7500.0 929.558 97000.0 930.5607 22000.0 939.5385 2000.0 943.5728 33000.0 944.5757 6600.0 959.2067 1400.0 969.6242 1600.0 978.6225 1800.0 996.6349 11000.0 997.6188 15000.0 998.6215 2400.0 1006.6187 6200.0 1014.6467 66000.0 1015.65 13000.0 1023.6622 2700.0 1024.6316 110000.0 1025.6343 21000.0 1042.6421 450000.0 1043.6453 99000.0 1054.1719 1700.0 1057.4292 1600.0 END IONS BEGIN IONS SCANS=433 PEPMASS=1044.6573 CHARGE=1 COLLISION_ENERGY=0.0 89.06 3400.0 99.0808 1400.0 115.0755 2100.0 117.0912 8000.0 133.0862 3100.0 157.1222 1200.0 175.1329 4200.0 177.1123 1600.0 233.1748 2500.0 685.4467 1100.0 1008.6578 1000.0 1043.6412 1500.0 1044.6558 300000.0 1045.6588 63000.0 1063.5818 1200.0 1064.5819 1300.0 1077.5991 1100.0 1078.5977 1600.0 END IONS BEGIN IONS SCANS=434 PEPMASS=1044.6562 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 2600.0 175.1328 1500.0 233.1745 1200.0 1044.6559 240000.0 1045.6589 49000.0 END IONS BEGIN IONS SCANS=435 PEPMASS=1044.6957 CHARGE=1 COLLISION_ENERGY=0.0 86.0947 1400.0 86.0967 19000.0 89.0599 1900.0 102.0548 1300.0 115.0752 2400.0 117.0911 5700.0 122.0965 6300.0 133.0858 2300.0 133.8574 1200.0 146.0933 1200.0 175.1329 3500.0 185.164 1900.0 199.1803 7300.0 201.1233 2300.0 213.1595 2400.0 215.1023 1900.0 227.1751 35000.0 228.1785 1700.0 229.1183 5600.0 231.1705 1300.0 233.1741 2100.0 235.1801 18000.0 240.2317 1800.0 245.1855 3900.0 281.2217 2800.0 298.2484 2200.0 326.2432 25000.0 328.1859 27000.0 329.1901 1200.0 332.1965 2300.0 338.2069 1300.0 342.2018 3700.0 342.2632 1700.0 344.2539 5400.0 346.1965 1500.0 350.2067 22000.0 351.2101 1200.0 352.2476 5000.0 370.258 65000.0 371.2622 3300.0 395.2645 6900.0 413.2751 8800.0 423.2594 8900.0 431.2642 6100.0 437.2753 1600.0 441.27 210000.0 442.2737 14000.0 447.3209 1300.0 449.275 23000.0 450.2777 1300.0 455.2853 7800.0 455.3459 1800.0 459.2805 1700.0 465.3312 14000.0 466.3346 1000.0 469.3264 2100.0 483.3421 240000.0 484.3452 19000.0 508.3489 6200.0 509.3326 1200.0 526.3591 13000.0 527.3621 1000.0 536.3428 6100.0 544.3478 4000.0 552.302 1200.0 554.3538 53000.0 555.3559 5800.0 560.405 2500.0 562.3586 21000.0 563.3618 2000.0 564.3989 1800.0 568.4311 6400.0 572.3638 8300.0 578.4153 24000.0 579.4191 2300.0 582.4093 1500.0 596.4258 300000.0 597.4289 34000.0 598.3673 1500.0 657.4321 27000.0 658.4344 3500.0 659.4741 1100.0 665.4461 2900.0 667.499 5100.0 675.4429 260000.0 676.4457 38000.0 677.4842 15000.0 678.4857 1700.0 695.494 140000.0 696.4976 18000.0 706.4023 1100.0 764.5159 6000.0 774.4987 1000.0 792.5103 16000.0 793.5146 2300.0 810.5206 11000.0 811.523 1800.0 895.6076 1000.0 905.5934 4600.0 906.5966 1300.0 923.6049 21000.0 924.6078 3300.0 1026.6818 3100.0 1043.6428 25000.0 1044.6531 17000.0 1045.6509 1400.0 END IONS BEGIN IONS SCANS=436 PEPMASS=1048.6909 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1500.0 89.0602 1700.0 91.5081 1500.0 115.0755 1400.0 117.0913 3600.0 133.0861 1400.0 175.1329 1600.0 177.1122 1000.0 227.1759 1900.0 233.1749 1000.0 364.2484 1800.0 382.2592 1100.0 395.2649 1300.0 423.2597 1300.0 441.2704 8500.0 455.2862 1100.0 459.2814 1600.0 477.3326 1900.0 495.3426 3900.0 508.3483 1500.0 536.3448 1200.0 554.3541 3300.0 590.4144 3300.0 608.4261 6800.0 610.3708 1200.0 667.4374 3800.0 685.4485 33000.0 686.4509 3500.0 689.4844 2000.0 707.4953 4000.0 723.454 2900.0 804.5124 1400.0 820.5772 2000.0 822.5233 2000.0 836.5349 1500.0 889.6 1300.0 917.5953 1200.0 935.605 4800.0 936.61 1300.0 949.6234 1400.0 1020.6958 3700.0 1030.6799 6200.0 1048.6903 20000.0 1049.6917 5400.0 END IONS BEGIN IONS SCANS=437 PEPMASS=1050.6699 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2200.0 91.5061 1600.0 227.1752 3600.0 229.1181 2100.0 245.1855 2000.0 326.2426 2800.0 328.1863 3000.0 342.2016 1800.0 360.2128 3000.0 366.2271 9900.0 384.2375 4300.0 385.3052 1800.0 395.2641 2200.0 423.2596 3300.0 441.2701 20000.0 442.2733 1800.0 455.2857 2800.0 459.2807 4700.0 461.3001 3500.0 479.3111 8300.0 480.3144 1000.0 497.3215 13000.0 498.3243 1000.0 508.3486 2700.0 515.3317 3500.0 526.3599 2700.0 536.344 4000.0 554.3542 11000.0 555.3573 1100.0 568.3702 2300.0 572.3643 5000.0 574.384 3000.0 582.4109 1200.0 586.3807 2400.0 592.3948 9700.0 610.4054 23000.0 611.4081 2700.0 612.3494 1400.0 639.4431 1400.0 649.4272 1300.0 667.4378 12000.0 668.4418 2000.0 673.4542 2200.0 685.4487 130000.0 686.4516 17000.0 691.4634 7000.0 692.4664 1300.0 697.4379 1000.0 707.421 3100.0 709.4737 15000.0 710.478 1800.0 723.4892 2900.0 725.4315 7900.0 784.3976 1200.0 804.5478 2000.0 806.4899 5500.0 820.5059 2400.0 822.5577 7600.0 824.5011 6100.0 838.5159 2600.0 891.5786 4500.0 892.5676 1900.0 901.5654 1600.0 919.5744 9200.0 920.5791 1400.0 933.5911 2400.0 935.644 1100.0 937.5847 14000.0 938.5867 2500.0 951.6008 6000.0 952.6045 1300.0 1004.6633 1500.0 1005.6486 2300.0 1014.647 2000.0 1022.6743 10000.0 1023.6769 2400.0 1032.6587 23000.0 1033.6611 4500.0 1050.6691 110000.0 1051.6719 26000.0 END IONS BEGIN IONS SCANS=438 PEPMASS=1050.6699 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3500.0 117.091 1300.0 199.1803 1000.0 227.1751 6200.0 229.1181 2400.0 245.1855 2400.0 326.2433 4800.0 328.1865 3900.0 342.2017 2800.0 360.2129 5800.0 366.2271 14000.0 384.2379 1500.0 395.2643 2900.0 413.2757 1100.0 423.2596 3500.0 433.305 1400.0 441.2703 27000.0 442.2734 2500.0 455.2854 3700.0 459.2808 6000.0 461.2999 4200.0 465.2955 1400.0 473.2964 1200.0 479.311 22000.0 480.3148 2200.0 481.2539 1400.0 497.3221 6400.0 508.3481 4100.0 509.3337 1300.0 515.3318 2400.0 526.3588 3400.0 536.3431 3700.0 554.354 14000.0 555.3589 1600.0 564.3995 1600.0 568.3704 1900.0 572.3642 7400.0 574.3845 5300.0 578.3783 2800.0 582.4089 1300.0 586.3804 3900.0 592.3946 27000.0 593.3969 2500.0 594.3385 1800.0 610.4053 18000.0 611.4096 1300.0 649.4273 1100.0 667.4378 14000.0 668.4413 1400.0 673.4533 4100.0 685.4486 160000.0 686.4515 20000.0 691.4634 17000.0 692.4657 2300.0 693.4053 1400.0 699.465 1100.0 707.4221 4200.0 709.4739 8700.0 710.476 1100.0 723.4888 3000.0 725.4324 7800.0 726.434 1500.0 779.4781 2100.0 788.4796 2300.0 792.5109 1200.0 804.5472 2100.0 806.4908 11000.0 820.5057 2700.0 822.5574 6100.0 824.5012 2600.0 838.5175 4400.0 873.567 1200.0 891.5799 4800.0 892.5605 2700.0 901.564 1900.0 909.5901 1100.0 919.5745 13000.0 920.5777 2000.0 933.5881 2100.0 935.6422 1300.0 937.5848 15000.0 938.5886 2900.0 951.6006 5800.0 1004.6631 1400.0 1005.6447 3000.0 1014.645 2400.0 1022.6738 13000.0 1023.6783 2800.0 1031.6072 1000.0 1032.6581 29000.0 1033.6621 6200.0 1049.6132 1300.0 1050.6687 120000.0 1051.6721 25000.0 END IONS BEGIN IONS SCANS=439 PEPMASS=1050.6678 CHARGE=1 COLLISION_ENERGY=0.0 86.0953 1500.0 86.0971 13000.0 87.0447 2800.0 89.0604 3100.0 99.0809 1100.0 115.0755 3400.0 117.0915 10000.0 133.0859 3200.0 146.0943 1000.0 157.1227 1500.0 175.1327 5300.0 177.1123 2100.0 190.1204 1100.0 199.1811 1700.0 201.1234 2700.0 227.175 7200.0 229.1181 5000.0 233.1745 4100.0 245.1856 9300.0 296.1975 1200.0 326.2429 5100.0 328.186 8000.0 342.2017 5500.0 348.2163 3200.0 352.2485 1500.0 360.2124 9100.0 366.2269 4400.0 384.2376 2900.0 395.2647 3000.0 409.2805 1000.0 413.2751 2600.0 423.2597 4100.0 441.2701 37000.0 442.2725 3000.0 451.3159 3300.0 455.286 6500.0 459.2808 12000.0 461.301 1800.0 465.331 1100.0 473.2975 2400.0 479.3109 38000.0 480.3144 2600.0 483.3434 1600.0 497.3214 13000.0 508.3483 3400.0 526.3586 3400.0 527.3435 1100.0 536.3437 5200.0 552.3021 1300.0 554.3539 15000.0 555.3578 1800.0 564.4 7100.0 566.3425 1900.0 568.3334 1200.0 568.3696 3600.0 572.3644 11000.0 574.3834 3300.0 578.3781 2100.0 578.4165 1200.0 586.3798 3600.0 592.3948 62000.0 593.3978 8100.0 594.3377 2300.0 596.4259 3400.0 610.4052 21000.0 611.4086 2100.0 639.4433 1100.0 649.4272 1300.0 667.438 14000.0 668.44 1500.0 673.4515 2900.0 685.4484 150000.0 686.4519 16000.0 691.4629 41000.0 692.4662 5700.0 695.4954 2100.0 699.4276 3100.0 699.4636 7400.0 700.4657 1200.0 705.4789 1600.0 707.4217 2800.0 709.4737 14000.0 709.5082 1000.0 710.4766 2200.0 723.4889 2000.0 725.4321 4100.0 779.4802 2200.0 804.5457 1300.0 806.4896 8800.0 807.491 1200.0 820.5035 1600.0 822.5582 4000.0 824.5001 4000.0 838.5155 2800.0 891.5782 3300.0 892.5598 2400.0 895.5732 1000.0 901.5615 1500.0 919.5729 9500.0 920.5739 1800.0 923.605 1000.0 933.5861 2300.0 937.583 11000.0 937.6206 1000.0 938.5864 1700.0 951.6005 4000.0 1004.6663 2100.0 1005.6453 2900.0 1008.6591 4800.0 1014.6423 1500.0 1022.6712 9600.0 1023.6732 1500.0 1032.6559 17000.0 1033.6583 4600.0 1049.6163 5400.0 1049.6798 1800.0 1050.666 63000.0 1051.6702 17000.0 END IONS BEGIN IONS SCANS=440 PEPMASS=1050.7073 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 15000.0 183.112 1500.0 199.1806 4100.0 201.1229 2600.0 209.7587 1100.0 213.1593 1600.0 227.1751 18000.0 229.118 8400.0 243.1338 1200.0 245.1856 9800.0 283.1646 1200.0 296.1966 1500.0 311.1956 1600.0 326.2432 8900.0 328.186 11000.0 340.2587 1900.0 342.2015 11000.0 352.2471 1700.0 360.2122 13000.0 366.2633 17000.0 370.2578 1000.0 384.2736 10000.0 385.341 2300.0 395.2647 8200.0 396.2493 1100.0 409.2806 3300.0 413.2754 2400.0 414.2584 1400.0 423.2592 11000.0 428.2746 1100.0 437.2758 3300.0 441.27 64000.0 442.2737 4100.0 451.3524 1300.0 455.2856 19000.0 457.3367 2200.0 459.2802 11000.0 461.3366 2800.0 465.3313 2800.0 469.363 1200.0 471.3526 2300.0 473.2961 3600.0 479.3469 23000.0 480.3498 2100.0 483.3419 4000.0 497.3576 33000.0 498.3608 3300.0 499.2999 2100.0 507.2805 1000.0 508.3485 10000.0 509.3329 1600.0 515.3683 3400.0 522.363 1900.0 525.2912 1600.0 526.3592 7500.0 527.3439 1200.0 527.3635 1500.0 536.343 10000.0 550.3594 2100.0 552.3018 1400.0 554.3538 34000.0 555.3562 2700.0 560.4053 2300.0 564.4371 1700.0 565.4199 1000.0 566.3169 1000.0 566.3792 1800.0 568.369 9000.0 570.4214 1600.0 572.3641 14000.0 574.4202 8300.0 578.4166 5700.0 582.4463 5100.0 586.3801 12000.0 587.3843 1100.0 592.4308 23000.0 593.4329 3100.0 594.374 2000.0 596.4261 11000.0 598.369 1400.0 610.4413 62000.0 611.4448 6400.0 612.3837 6500.0 613.4529 1500.0 621.4317 1900.0 622.4161 1300.0 639.4438 3000.0 649.4272 2700.0 665.3846 1300.0 665.4486 1100.0 667.438 28000.0 668.4402 4200.0 673.4888 6400.0 679.4628 3400.0 681.4532 2900.0 685.4483 290000.0 686.4514 32000.0 691.4995 17000.0 692.5019 1800.0 693.4422 4400.0 695.5302 2000.0 697.4736 3000.0 699.4636 39000.0 700.4672 5500.0 705.5137 1500.0 707.458 8200.0 708.4618 1500.0 709.5097 46000.0 710.5132 6200.0 711.4534 4600.0 723.5256 5000.0 725.4683 20000.0 726.4701 3300.0 733.5112 1400.0 751.5208 1400.0 760.5217 1200.0 778.531 2600.0 779.5143 7000.0 788.5156 4300.0 791.59 1000.0 792.5474 3300.0 794.5982 2800.0 796.5398 1700.0 802.5294 1100.0 804.5837 3100.0 806.5258 16000.0 807.529 2000.0 810.5586 1000.0 820.5416 4600.0 821.5465 1000.0 822.5938 21000.0 823.5985 3200.0 824.5367 19000.0 825.5398 2800.0 836.609 2300.0 838.5527 9600.0 839.5558 1200.0 873.6036 2100.0 890.6561 2000.0 891.6148 13000.0 892.5988 5900.0 893.6025 1600.0 901.599 2900.0 902.6002 1000.0 909.6232 2900.0 917.6649 1200.0 919.6098 24000.0 920.6143 5300.0 923.6415 1300.0 933.6264 4300.0 935.6769 3100.0 937.6205 49000.0 938.6238 8400.0 951.6359 13000.0 952.6395 2200.0 1004.6978 4900.0 1005.6835 7500.0 1014.6841 4100.0 1018.6772 1200.0 1022.7099 33000.0 1023.7133 5400.0 1032.6943 52000.0 1033.697 9800.0 1050.7048 240000.0 1051.7079 55000.0 END IONS BEGIN IONS SCANS=441 PEPMASS=1050.7062 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1100.0 342.2024 1300.0 366.2636 1400.0 441.27 4900.0 455.2863 1600.0 459.2813 1100.0 479.348 1700.0 497.3579 2400.0 526.3593 1000.0 554.3549 2400.0 586.381 1200.0 592.4324 1300.0 596.4276 1100.0 610.4416 4800.0 667.4383 2000.0 685.4485 19000.0 686.4525 2300.0 691.4998 1800.0 699.4649 4300.0 709.5102 4000.0 725.4691 1200.0 806.528 1500.0 822.5945 1800.0 824.5379 1100.0 919.6107 1600.0 937.6206 3500.0 1022.7087 2100.0 1032.6948 3900.0 1033.6962 1300.0 1050.7053 19000.0 1051.7079 3900.0 END IONS BEGIN IONS SCANS=442 PEPMASS=1052.5446 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 14000.0 120.0806 11000.0 221.1282 2400.0 231.1127 4600.0 249.1228 6700.0 261.1594 2900.0 275.1749 1400.0 303.17 73000.0 304.1734 2800.0 330.1806 8200.0 332.1602 7000.0 337.186 1500.0 344.1966 17000.0 355.1973 3900.0 362.2066 11000.0 368.1965 1600.0 378.1806 4200.0 383.1917 1900.0 396.1913 1600.0 401.2176 5900.0 403.1967 1300.0 403.2331 1400.0 413.2179 3400.0 419.2281 3100.0 422.2437 6900.0 427.233 1200.0 431.2281 14000.0 433.207 1500.0 450.238 73000.0 451.2414 6200.0 457.2437 1400.0 461.2185 1400.0 463.2688 1300.0 474.2711 2900.0 479.2284 12000.0 480.2312 1100.0 481.2805 2400.0 484.2546 5300.0 491.2642 3500.0 502.2654 29000.0 503.2692 1900.0 505.2803 2200.0 507.2596 8000.0 509.275 2100.0 514.2657 1100.0 523.29 3800.0 526.3014 1100.0 533.2751 64000.0 534.2781 6700.0 551.2856 47000.0 552.2893 4400.0 560.2855 1700.0 563.2496 1500.0 574.3016 4000.0 578.2962 4200.0 585.3024 7000.0 592.3121 15000.0 593.3153 1600.0 596.306 1000.0 603.3126 37000.0 604.3158 4500.0 615.3484 1400.0 631.3228 1900.0 649.3331 8300.0 652.3488 2600.0 654.3281 3400.0 663.3845 1400.0 673.3703 3000.0 680.3434 47000.0 681.3466 6900.0 691.3803 5200.0 698.3544 6900.0 732.3707 9600.0 744.4066 2900.0 750.381 63000.0 751.3845 8800.0 762.4172 9300.0 763.3804 4800.0 763.4199 1500.0 781.3905 14000.0 782.3936 2000.0 799.4017 2000.0 835.4697 1600.0 845.4545 11000.0 846.431 2500.0 852.463 2500.0 862.4493 3700.0 863.4651 110000.0 864.4681 18000.0 880.4592 19000.0 881.4638 2900.0 882.438 3100.0 933.484 1500.0 951.4959 12000.0 952.4999 2600.0 953.4764 1400.0 1034.5331 11000.0 1035.5339 2300.0 1052.5414 3000.0 END IONS BEGIN IONS SCANS=443 PEPMASS=1052.6851 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 5700.0 86.0981 1200.0 86.5649 1100.0 199.1802 3000.0 201.1229 1300.0 208.3197 1800.0 227.1753 7200.0 229.118 3300.0 245.1857 5300.0 326.2433 7200.0 328.1858 6800.0 342.2016 4700.0 350.2324 8300.0 360.2123 7100.0 368.2425 5900.0 395.2652 3000.0 413.275 2000.0 414.26 1600.0 423.2594 7100.0 437.2755 1400.0 441.2701 42000.0 442.2728 1400.0 445.3049 2100.0 455.2855 5000.0 457.3367 1300.0 459.2805 8700.0 463.316 12000.0 464.3195 1100.0 473.2968 1300.0 481.3264 16000.0 482.3304 1400.0 483.269 1000.0 487.2508 1500.0 499.3365 7400.0 508.3486 7500.0 509.3322 1300.0 526.3591 5000.0 530.3936 1300.0 536.3431 10000.0 552.3017 2100.0 554.354 27000.0 555.3573 2600.0 558.3889 6100.0 566.4153 3600.0 568.3699 2800.0 570.4205 1200.0 572.364 12000.0 576.3996 21000.0 577.403 2300.0 578.3412 1000.0 586.3798 4900.0 594.4103 52000.0 595.4128 4300.0 596.3537 4800.0 612.4211 2800.0 621.433 1400.0 639.4431 2800.0 649.4277 4500.0 657.4579 5000.0 663.432 3100.0 667.4379 29000.0 668.441 3600.0 675.4682 19000.0 676.4714 3300.0 679.4975 1500.0 681.4431 1900.0 685.4484 360000.0 686.4515 40000.0 689.4846 1400.0 691.4271 6800.0 693.4786 44000.0 694.4826 4900.0 695.4229 1800.0 707.4941 4700.0 709.4374 19000.0 710.4404 2700.0 711.4884 2900.0 727.4449 1100.0 762.5001 2400.0 763.4835 3900.0 772.4863 3300.0 776.5143 2000.0 778.5667 1100.0 788.5538 3100.0 790.4955 13000.0 791.4996 2300.0 804.5096 4800.0 806.5626 15000.0 807.5654 2300.0 808.506 19000.0 809.509 2300.0 820.5783 1700.0 822.5212 9000.0 824.5718 1200.0 857.5743 2500.0 858.5569 1100.0 875.5847 10000.0 876.5703 3800.0 885.5687 3800.0 893.5939 2300.0 903.5794 28000.0 904.5831 4300.0 907.6106 1900.0 917.5944 2800.0 919.6462 3600.0 921.5896 48000.0 922.5923 7900.0 935.6063 13000.0 936.61 1700.0 939.6001 4300.0 953.6172 1500.0 988.6681 5400.0 989.6529 6200.0 990.6581 1400.0 998.652 4800.0 999.6551 1300.0 1006.6787 28000.0 1007.6824 5200.0 1016.6633 69000.0 1017.6667 15000.0 1024.6887 1900.0 1034.6737 380000.0 1035.677 83000.0 1051.5789 1400.0 1052.5839 1600.0 1052.6843 37000.0 1053.6877 6700.0 END IONS BEGIN IONS SCANS=444 PEPMASS=1052.6852 CHARGE=1 COLLISION_ENERGY=0.0 84.0443 2100.0 84.0809 2700.0 86.0965 21000.0 87.0442 1300.0 89.0598 1500.0 117.0907 5800.0 130.0496 1700.0 175.1327 2500.0 199.1799 2200.0 201.1226 2200.0 225.159 2300.0 227.1751 6900.0 229.1182 6400.0 233.1748 1200.0 243.1704 3100.0 245.1856 9700.0 297.1795 1300.0 311.1959 1500.0 324.2162 2400.0 324.2274 1800.0 324.2525 1200.0 325.2111 3200.0 326.1698 1300.0 326.2434 5200.0 328.1859 8000.0 342.2018 7700.0 342.2269 1100.0 342.2381 5200.0 343.2696 2100.0 352.2475 26000.0 353.2511 1600.0 360.2119 13000.0 370.2579 5800.0 371.3259 1700.0 393.2491 1400.0 394.2338 1000.0 395.2646 2800.0 412.2433 3900.0 413.2748 1600.0 423.259 4400.0 437.3001 5800.0 439.254 12000.0 440.2383 28000.0 441.242 1800.0 441.2698 31000.0 442.2728 2600.0 455.2862 4300.0 455.3107 8400.0 455.347 17000.0 456.2873 1100.0 456.3513 1200.0 457.2648 9900.0 457.3365 1000.0 459.28 12000.0 460.2831 1800.0 463.3163 1100.0 465.3316 6200.0 473.2951 2800.0 473.3198 2500.0 479.31 1800.0 480.3134 2600.0 481.3284 1000.0 483.3418 25000.0 484.3456 3000.0 485.2836 1900.0 499.3356 1100.0 500.368 2700.0 501.3522 1500.0 507.3174 3200.0 508.3481 4800.0 524.3428 1700.0 525.327 5200.0 526.3583 3300.0 532.3732 3500.0 534.3275 1600.0 535.3115 1800.0 536.3434 6700.0 540.3997 1800.0 550.384 12000.0 552.3383 8700.0 553.3218 18000.0 553.3433 1200.0 554.326 1600.0 554.3536 17000.0 558.3895 1100.0 568.3693 2300.0 568.3942 29000.0 568.4279 5600.0 570.3483 4800.0 570.3731 1100.0 571.3318 1200.0 572.364 9400.0 576.399 4000.0 578.4155 1500.0 580.3585 1500.0 582.4108 1800.0 584.3655 1200.0 586.3798 3200.0 588.3589 1600.0 592.3926 2500.0 593.398 4400.0 594.4102 7500.0 596.4254 15000.0 597.429 3000.0 598.3688 5300.0 612.4197 4300.0 613.4509 2800.0 620.4015 1000.0 631.442 4100.0 638.435 1000.0 639.4427 2000.0 648.3971 1100.0 649.4244 1400.0 649.4515 11000.0 653.4486 1100.0 665.4195 7400.0 665.4479 2000.0 666.4048 1400.0 666.4305 6300.0 667.4368 17000.0 667.463 24000.0 668.4404 1400.0 671.4326 1400.0 675.468 4300.0 679.4246 1400.0 681.4791 3200.0 683.4327 44000.0 683.4596 3500.0 684.4366 3900.0 684.4625 1000.0 685.448 220000.0 686.4518 9900.0 687.4535 3300.0 691.4623 1700.0 692.4661 2800.0 693.442 3700.0 693.4772 7500.0 697.4364 2900.0 699.4633 7600.0 700.4673 3400.0 701.4428 63000.0 702.4459 6900.0 707.4934 1200.0 709.5098 2000.0 710.4211 1500.0 711.4521 18000.0 711.4888 6500.0 712.4553 3000.0 725.5042 3800.0 737.4697 1800.0 746.4683 1400.0 750.5017 1000.0 762.5347 1700.0 764.4786 7900.0 765.4983 1100.0 778.4948 2100.0 779.5139 5800.0 780.546 8200.0 782.49 11000.0 782.5266 1200.0 790.4954 3400.0 792.5092 1200.0 794.5615 1300.0 796.5062 3400.0 806.5242 1200.0 806.5622 2400.0 808.5048 4200.0 809.51 1000.0 810.5201 6300.0 811.5226 1000.0 822.5198 1100.0 823.5054 1200.0 824.5361 5900.0 824.573 4400.0 825.5364 1400.0 832.5423 1100.0 838.5875 3100.0 840.5312 1400.0 849.5685 8400.0 850.5513 2100.0 859.5529 3000.0 867.5766 1100.0 875.5822 2000.0 877.5633 19000.0 891.5787 2100.0 892.5977 4100.0 893.6328 1600.0 895.5735 32000.0 903.579 4100.0 907.6091 1300.0 909.5885 8300.0 921.5883 11000.0 922.5721 3700.0 923.6068 3800.0 935.6046 4700.0 936.5971 1100.0 937.6566 1900.0 938.584 1100.0 939.5965 5300.0 953.6162 4100.0 954.6183 1200.0 962.6521 2700.0 963.6349 2800.0 972.6362 2900.0 980.6624 21000.0 990.6469 51000.0 1006.6802 7400.0 1008.6573 290000.0 1009.6607 1800.0 1016.6625 15000.0 1017.6663 3700.0 1024.6859 4500.0 1033.6582 2400.0 1034.6726 120000.0 1035.6769 27000.0 1051.6626 4700.0 1051.7133 2000.0 1052.6248 4700.0 1052.6827 130000.0 1053.6865 28000.0 END IONS BEGIN IONS SCANS=445 PEPMASS=1052.6862 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 87.0442 1400.0 89.0598 1900.0 91.5081 1200.0 117.0909 5800.0 133.0857 2300.0 175.1328 3600.0 201.1227 1400.0 208.1332 2800.0 225.1594 1400.0 227.1753 2100.0 229.118 2600.0 233.1743 2000.0 245.1855 2300.0 324.2279 1800.0 328.1862 3300.0 342.2021 3000.0 342.2382 4600.0 352.2476 4700.0 360.2121 6300.0 370.2582 3100.0 383.1918 1400.0 413.2388 1700.0 421.2438 1900.0 422.2278 4200.0 439.2546 12000.0 441.2699 4400.0 455.2848 1000.0 455.3474 1200.0 457.2645 5800.0 459.2808 3500.0 463.316 2500.0 465.3319 1500.0 481.3272 3000.0 483.3423 5600.0 485.2843 1600.0 496.2755 1500.0 501.3521 2200.0 524.3437 2000.0 526.3232 1300.0 534.3276 1600.0 535.3115 3400.0 552.3392 7900.0 554.3548 2100.0 558.39 1400.0 568.3961 1700.0 568.4318 1600.0 570.3491 3200.0 572.3643 5200.0 576.4005 2900.0 578.4166 1400.0 580.3583 1300.0 594.4099 6400.0 596.4268 8100.0 598.3694 3100.0 612.4209 3100.0 639.4067 1600.0 649.453 1100.0 657.4171 19000.0 657.4601 1000.0 665.4223 7400.0 666.4074 1400.0 667.4374 1100.0 667.4634 2300.0 668.4403 1000.0 675.4687 3300.0 683.433 66000.0 684.4365 9800.0 685.4488 8900.0 693.4426 3000.0 693.4783 6900.0 699.4632 1800.0 701.3915 1100.0 701.4434 40000.0 702.4465 5300.0 711.4525 15000.0 712.4565 1900.0 765.499 2100.0 772.4848 1000.0 780.5471 1800.0 782.4894 1300.0 790.4945 3300.0 792.5091 1300.0 806.563 2600.0 808.5064 2800.0 810.5214 3400.0 822.5208 1200.0 824.5362 1200.0 824.573 2600.0 826.5156 1500.0 840.5312 1200.0 849.5693 1700.0 875.5845 1400.0 877.563 3100.0 895.5734 3800.0 903.5797 3500.0 921.5896 12000.0 922.5887 2200.0 923.6046 3800.0 935.6035 3200.0 937.6207 1100.0 939.5991 3300.0 980.6639 2000.0 988.6641 1300.0 990.6472 7700.0 1006.6755 7000.0 1006.7159 1000.0 1007.6782 1300.0 1007.72 1500.0 1008.6583 38000.0 1016.6628 14000.0 1017.6688 4000.0 1022.6714 2200.0 1024.6885 1800.0 1034.6738 140000.0 1035.6772 29000.0 1051.6748 1100.0 1052.6842 53000.0 1053.6866 11000.0 END IONS BEGIN IONS SCANS=446 PEPMASS=1052.6801 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 87.0442 1400.0 89.0598 1900.0 91.5081 1200.0 117.0909 5800.0 133.0857 2300.0 175.1328 3600.0 201.1227 1400.0 208.1332 2800.0 225.1594 1400.0 227.1753 2100.0 229.118 2600.0 233.1743 2000.0 245.1855 2300.0 324.2279 1800.0 328.1862 3300.0 342.2021 3000.0 342.2382 4600.0 352.2476 4700.0 360.2121 6300.0 370.2582 3100.0 383.1918 1400.0 413.2388 1700.0 421.2438 1900.0 422.2278 4200.0 439.2546 12000.0 441.2699 4400.0 455.2848 1000.0 455.3474 1200.0 457.2645 5800.0 459.2808 3500.0 463.316 2500.0 465.3319 1500.0 481.3272 3000.0 483.3423 5600.0 485.2843 1600.0 496.2755 1500.0 501.3521 2200.0 524.3437 2000.0 526.3232 1300.0 534.3276 1600.0 535.3115 3400.0 552.3392 7900.0 554.3548 2100.0 558.39 1400.0 568.3961 1700.0 568.4318 1600.0 570.3491 3200.0 572.3643 5200.0 576.4005 2900.0 578.4166 1400.0 580.3583 1300.0 594.4099 6400.0 596.4268 8100.0 598.3694 3100.0 612.4209 3100.0 639.4067 1600.0 649.453 1100.0 657.4171 19000.0 657.4601 1000.0 665.4223 7400.0 666.4074 1400.0 667.4374 1100.0 667.4634 2300.0 668.4403 1000.0 675.4687 3300.0 683.433 66000.0 684.4365 9800.0 685.4488 8900.0 693.4426 3000.0 693.4783 6900.0 699.4632 1800.0 701.3915 1100.0 701.4434 40000.0 702.4465 5300.0 711.4525 15000.0 712.4565 1900.0 765.499 2100.0 772.4848 1000.0 780.5471 1800.0 782.4894 1300.0 790.4945 3300.0 792.5091 1300.0 806.563 2600.0 808.5064 2800.0 810.5214 3400.0 822.5208 1200.0 824.5362 1200.0 824.573 2600.0 826.5156 1500.0 840.5312 1200.0 849.5693 1700.0 875.5845 1400.0 877.563 3100.0 895.5734 3800.0 903.5797 3500.0 921.5896 12000.0 922.5887 2200.0 923.6046 3800.0 935.6035 3200.0 937.6207 1100.0 939.5991 3300.0 980.6639 2000.0 988.6641 1300.0 990.6472 7700.0 1006.6755 7000.0 1006.7159 1000.0 1007.6782 1300.0 1007.72 1500.0 1008.6583 38000.0 1016.6628 14000.0 1017.6688 4000.0 1022.6714 2200.0 1024.6885 1800.0 1034.6738 140000.0 1035.6772 29000.0 1051.6748 1100.0 1052.6842 53000.0 1053.6866 11000.0 END IONS BEGIN IONS SCANS=447 PEPMASS=1052.6849 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1000.0 86.0968 3800.0 87.0444 1500.0 89.0601 2100.0 115.0755 2200.0 117.091 4500.0 133.0858 1900.0 175.1327 2300.0 199.1804 1500.0 227.1752 3000.0 229.1183 3100.0 233.1745 2100.0 245.1855 2100.0 328.1866 1600.0 342.2018 3300.0 352.2484 1600.0 355.1857 8100.0 360.2124 2700.0 369.2015 1400.0 371.3261 8400.0 439.255 1900.0 441.2702 4700.0 454.2544 12000.0 455.285 1200.0 457.2649 4800.0 463.3158 1400.0 465.3316 1600.0 475.2757 1100.0 481.3274 2100.0 483.3426 3100.0 484.41 3700.0 552.3385 1600.0 554.3542 2800.0 569.2806 5800.0 570.3491 1800.0 572.3649 1700.0 576.4001 1700.0 594.4098 2500.0 596.426 4300.0 599.4372 8000.0 643.4009 1400.0 654.3707 1200.0 667.4373 1900.0 667.4641 1300.0 668.4409 1700.0 669.4428 1700.0 675.4687 1600.0 681.4792 1300.0 682.3645 2500.0 683.433 5500.0 685.4486 18000.0 686.451 1500.0 693.4778 2600.0 698.5039 1200.0 699.4642 1300.0 700.4681 2300.0 701.4433 22000.0 702.4459 2600.0 711.4528 2800.0 711.488 1900.0 790.4931 1200.0 806.5614 2000.0 808.5057 1900.0 824.5368 1100.0 903.5787 1800.0 921.5897 4200.0 922.5898 1100.0 938.6205 1100.0 939.5995 3500.0 976.6289 1600.0 980.6634 1100.0 990.6469 1600.0 994.6417 1600.0 1004.6635 1100.0 1006.669 1900.0 1008.6564 11000.0 1016.6621 3700.0 1022.6733 6500.0 1024.6871 3400.0 1034.6733 28000.0 1035.6777 6900.0 1051.7098 2800.0 1052.6826 25000.0 1053.6882 4600.0 END IONS BEGIN IONS SCANS=448 PEPMASS=1053.7208 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4400.0 89.0597 1800.0 115.0753 1100.0 117.0907 4900.0 133.0854 1900.0 175.1328 3500.0 177.1118 1100.0 199.1798 1400.0 201.123 1100.0 227.1752 4400.0 229.1183 2400.0 233.1744 1000.0 245.1313 1000.0 245.1856 2200.0 324.2164 2800.0 326.2435 2200.0 328.1862 2600.0 342.2017 2700.0 346.1418 1300.0 352.247 3300.0 360.2129 2800.0 370.2579 1300.0 378.1677 1800.0 395.2645 2400.0 423.2591 1700.0 437.3 4200.0 441.27 20000.0 455.2855 4300.0 455.3104 3900.0 459.2264 9700.0 459.2802 4800.0 465.3318 5200.0 473.2418 1100.0 473.321 1300.0 477.2371 1000.0 483.3426 6400.0 508.3485 2800.0 526.3049 1500.0 526.3586 1800.0 532.374 2300.0 536.3436 3800.0 540.4016 1100.0 544.3151 1000.0 550.3613 1000.0 550.3833 5900.0 554.2987 1800.0 554.3538 8800.0 560.4053 1300.0 568.3702 1300.0 568.3942 16000.0 569.3976 1600.0 570.3381 1500.0 572.3106 5300.0 572.364 5100.0 578.4156 3100.0 586.3265 1100.0 586.3811 1100.0 590.3209 2900.0 596.3717 3500.0 596.4262 7100.0 604.3376 1800.0 614.3824 4600.0 631.4415 1900.0 639.4434 1100.0 649.4271 1400.0 649.4521 5300.0 657.4178 3900.0 663.4673 1800.0 665.4108 2000.0 667.437 8200.0 667.4631 9700.0 668.4398 1200.0 669.4064 1200.0 671.4329 6600.0 677.4847 1500.0 681.4784 4800.0 683.4224 4400.0 684.4333 1400.0 685.3942 5500.0 685.4483 100000.0 686.451 12000.0 693.4421 1200.0 695.4397 1300.0 695.4935 3800.0 699.4631 2700.0 701.4443 1900.0 702.4459 1400.0 703.4045 62000.0 709.5095 1200.0 711.4539 2800.0 713.4512 4700.0 717.4194 1400.0 727.4668 1200.0 729.4089 1600.0 737.4686 1300.0 764.4785 3300.0 778.4939 2000.0 780.5475 6000.0 781.548 1200.0 782.4908 5100.0 796.5059 2600.0 810.467 1700.0 810.5201 1900.0 826.5364 3200.0 828.4767 2700.0 842.493 1000.0 849.5682 4500.0 859.5524 1700.0 877.5637 8000.0 878.5704 1100.0 891.5797 1700.0 893.6315 1500.0 895.5745 15000.0 896.5767 2600.0 905.5496 1000.0 905.5952 1100.0 909.5894 5500.0 923.5508 4000.0 923.6047 1700.0 937.5677 1100.0 939.6152 1300.0 941.561 8500.0 955.5782 3600.0 962.651 1900.0 963.6371 1700.0 972.6374 1900.0 980.6633 8500.0 981.6696 2200.0 990.6471 24000.0 991.6507 5600.0 1007.7207 3400.0 1008.658 130000.0 1009.6619 30000.0 1022.6723 3000.0 1026.6506 7300.0 1034.6727 3000.0 1035.6766 4400.0 1036.6357 10000.0 1052.6821 1500.0 1053.6871 3400.0 1054.6455 51000.0 END IONS BEGIN IONS SCANS=449 PEPMASS=1053.7172 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2900.0 89.0599 1300.0 115.0751 1900.0 117.0911 4800.0 133.0855 1800.0 175.1331 2700.0 177.1115 1300.0 227.1752 2600.0 229.1179 1400.0 233.1745 1300.0 326.2433 1600.0 328.1862 3200.0 338.2319 2500.0 346.1969 2100.0 356.2426 1800.0 360.2129 1000.0 395.2653 1200.0 423.2592 2200.0 427.2538 1200.0 437.2751 1000.0 441.2704 17000.0 442.2735 1200.0 445.2646 2700.0 451.3156 4200.0 455.2861 2200.0 455.3111 1300.0 459.281 1800.0 469.3266 7400.0 473.3217 1500.0 508.3481 3600.0 536.343 3800.0 540.3378 1900.0 546.3888 2000.0 550.3843 1200.0 554.3539 8300.0 558.3492 2200.0 564.3995 5500.0 568.3943 6800.0 572.3642 2800.0 582.4105 16000.0 583.4143 1800.0 584.3539 1300.0 625.4291 1300.0 635.4105 1500.0 645.4563 2100.0 653.4225 9500.0 654.4244 1400.0 657.4183 1600.0 663.4689 7200.0 665.4109 1500.0 667.4384 3900.0 667.4639 1200.0 671.433 88000.0 672.4365 11000.0 681.4789 19000.0 682.4809 2300.0 683.4221 4700.0 685.4482 34000.0 686.4521 4700.0 695.4952 2200.0 697.4366 1700.0 699.4642 6700.0 700.4687 1200.0 703.4059 1600.0 760.4844 1100.0 764.4793 1300.0 778.4946 5000.0 779.4966 1200.0 780.5473 4900.0 782.4905 1500.0 792.509 1100.0 794.5632 1500.0 796.5062 6500.0 810.5225 1000.0 831.5597 1000.0 849.5681 4200.0 877.5638 5800.0 878.5675 1000.0 891.5789 6000.0 895.5752 4400.0 905.5944 1200.0 909.5895 18000.0 910.5921 3200.0 923.6033 2300.0 962.6547 1900.0 963.6393 1600.0 972.6391 2100.0 980.6637 9200.0 981.6652 1300.0 990.6473 24000.0 991.6505 4000.0 994.6808 2100.0 1004.6626 4900.0 1005.6673 1500.0 1008.658 130000.0 1009.6613 28000.0 1018.6779 1200.0 1022.6744 27000.0 1023.6772 5200.0 1036.6906 9300.0 1037.6919 1900.0 1053.6864 2300.0 1054.6473 1400.0 END IONS BEGIN IONS SCANS=450 PEPMASS=1053.717 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 1600.0 89.06 1500.0 91.506 1300.0 101.0712 1800.0 117.091 4000.0 126.1024 1600.0 133.0859 1400.0 175.1326 2000.0 177.1118 1200.0 227.1751 1300.0 233.1745 1600.0 328.1864 1700.0 441.2699 7100.0 451.3156 2100.0 455.2858 3500.0 469.3271 3000.0 508.3483 1300.0 536.3428 1600.0 546.3895 1200.0 554.3542 2400.0 564.3995 3600.0 568.3691 1800.0 568.3946 3000.0 582.4107 8600.0 586.378 1200.0 635.4104 1100.0 653.4224 4400.0 663.4697 2200.0 667.4362 1100.0 671.4327 35000.0 672.4363 3900.0 677.4829 1100.0 681.4788 7600.0 682.4818 1500.0 683.4226 2200.0 685.4482 8700.0 686.4513 1500.0 695.4934 3000.0 699.4643 20000.0 700.467 2600.0 701.4419 1100.0 778.4941 1800.0 780.5453 1800.0 792.5113 1200.0 796.5047 1900.0 810.521 2200.0 849.5672 1300.0 877.5616 2800.0 877.6014 1100.0 891.5783 2100.0 895.5729 1800.0 905.5961 2100.0 909.5891 5800.0 910.5909 1100.0 923.6045 5300.0 980.6598 3300.0 981.6619 1200.0 990.6471 9200.0 991.6492 2000.0 1008.6572 49000.0 1009.6602 12000.0 1018.6761 3400.0 1019.6812 1100.0 1022.675 2400.0 1036.6892 24000.0 1037.694 5900.0 1053.6805 1200.0 END IONS BEGIN IONS SCANS=451 PEPMASS=1053.7153 CHARGE=1 COLLISION_ENERGY=0.0 117.0911 1900.0 126.1024 1100.0 175.1326 1400.0 360.2125 1200.0 423.2596 1000.0 441.2702 7100.0 465.3322 1200.0 469.326 1100.0 483.3415 1500.0 508.3471 1000.0 536.3431 1000.0 554.3542 2800.0 578.4154 2400.0 582.4106 2300.0 596.4261 4200.0 653.4224 1600.0 667.4385 2800.0 671.4332 14000.0 677.4841 2000.0 681.4785 2700.0 685.4485 32000.0 686.4523 4400.0 695.4938 4200.0 711.4513 1500.0 792.5089 1200.0 810.5201 2100.0 824.5384 1000.0 877.5974 1200.0 905.5939 3100.0 909.5903 2400.0 923.6047 3900.0 924.6063 1200.0 980.6628 1300.0 990.6467 4100.0 1008.656 17000.0 1008.7026 1100.0 1009.6585 4000.0 1018.6788 6000.0 1019.6832 2300.0 1036.6897 39000.0 1037.6932 11000.0 END IONS BEGIN IONS SCANS=452 PEPMASS=1053.7164 CHARGE=1 COLLISION_ENERGY=0.0 117.0912 1500.0 175.1328 1400.0 441.2704 5100.0 465.332 1100.0 483.342 1700.0 508.3483 1200.0 526.3585 1100.0 554.3546 2900.0 572.3649 1000.0 578.4151 1400.0 582.4094 1200.0 596.426 4600.0 667.438 3900.0 671.4312 1200.0 677.4826 1700.0 681.4792 1100.0 685.4485 38000.0 686.4517 5000.0 695.4943 4500.0 711.4536 1000.0 792.5104 1100.0 808.5768 1300.0 810.5187 1200.0 877.598 1400.0 905.5945 2100.0 923.6052 6000.0 1004.6622 1000.0 1008.6541 2000.0 1008.7019 2600.0 1018.6784 6100.0 1019.6781 1300.0 1022.6727 4800.0 1023.6742 1300.0 1035.6779 1000.0 1036.6896 35000.0 1037.6929 7800.0 END IONS BEGIN IONS SCANS=453 PEPMASS=1054.6479 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 8200.0 87.0442 2100.0 89.06 4400.0 99.0806 1100.0 104.0529 2800.0 115.0752 2700.0 117.0912 12000.0 124.0804 1100.0 126.1024 1100.0 130.0498 1000.0 133.0858 4100.0 175.1326 6300.0 177.1118 2000.0 190.1196 1200.0 199.1801 1500.0 201.1231 1600.0 217.1367 1700.0 227.1752 5700.0 229.1183 5100.0 233.1747 3100.0 243.1333 1100.0 245.1315 6600.0 245.1858 5500.0 263.1418 2700.0 324.2163 1800.0 326.2437 3100.0 328.1859 6000.0 342.2016 4600.0 344.1998 3900.0 346.1429 6300.0 352.2476 11000.0 360.1578 1800.0 360.2121 6800.0 370.258 6700.0 371.3261 1700.0 378.1685 2500.0 395.2648 3300.0 413.2215 2500.0 413.2751 1100.0 423.2593 4400.0 431.2314 1800.0 437.3001 2400.0 441.2162 5600.0 441.2701 23000.0 442.2741 3700.0 447.3207 1800.0 455.2321 1100.0 455.2857 3400.0 455.3105 4100.0 459.2264 33000.0 459.2807 6200.0 460.2303 3300.0 465.3317 16000.0 466.3347 1300.0 473.2416 4900.0 475.2943 1200.0 477.2368 2600.0 483.3423 20000.0 484.3455 2400.0 485.2843 1200.0 496.3114 1000.0 501.3518 2700.0 508.3484 1700.0 525.2902 1000.0 526.3049 5100.0 526.3589 1700.0 527.2916 1000.0 536.3437 3000.0 543.2479 1100.0 544.3153 4700.0 550.384 4000.0 551.388 1800.0 552.3639 1000.0 554.2998 6100.0 554.3542 6700.0 554.3795 1000.0 555.3573 1700.0 560.4047 1600.0 568.3944 7800.0 568.4325 1700.0 569.3973 3900.0 570.257 1100.0 572.3104 18000.0 572.3641 2500.0 573.3136 2300.0 578.3615 3000.0 578.4157 6600.0 580.3566 1500.0 582.4104 1400.0 586.3262 2900.0 586.3825 1400.0 588.3779 1800.0 590.3208 11000.0 596.3727 9500.0 596.4263 18000.0 597.4288 2900.0 598.3684 3100.0 599.437 1400.0 600.366 1300.0 604.3373 6500.0 614.3823 18000.0 615.387 1400.0 639.3891 1000.0 649.4527 2600.0 650.4561 1800.0 657.4202 4300.0 658.4204 1800.0 663.4673 1000.0 665.449 1200.0 667.3842 1600.0 667.4372 4200.0 667.4633 3700.0 668.4396 1700.0 668.4662 4100.0 671.4333 2100.0 672.4356 1200.0 677.4296 1900.0 677.4849 3600.0 681.4797 2100.0 682.4824 1300.0 683.4228 1600.0 683.4576 1000.0 684.4308 1100.0 685.3954 17000.0 685.4484 48000.0 686.3983 2400.0 686.4516 26000.0 687.455 1500.0 693.4436 4000.0 695.4399 6800.0 695.4934 6600.0 696.4985 1100.0 697.4378 1300.0 699.4651 2000.0 700.4675 1800.0 702.4493 1100.0 703.405 190000.0 704.408 22000.0 709.5105 1600.0 711.3981 1400.0 711.4527 9800.0 712.4564 1600.0 713.4513 15000.0 714.4534 1900.0 717.4191 2300.0 727.4674 2000.0 729.4099 4300.0 764.4788 1500.0 764.5142 1100.0 765.5031 2300.0 780.5485 2300.0 781.5518 1300.0 782.4943 2500.0 783.4939 1400.0 792.4568 2000.0 792.5111 2500.0 796.5051 2100.0 806.5247 2300.0 808.5248 2200.0 808.5782 1700.0 810.4665 6100.0 810.5207 4800.0 824.4838 1800.0 824.5377 3200.0 826.535 10000.0 827.5383 1500.0 828.4774 6400.0 829.4799 1000.0 840.5504 1400.0 842.4924 3200.0 848.5363 1000.0 849.5671 1900.0 850.5699 1100.0 877.5607 2900.0 878.5654 3900.0 892.5822 1000.0 895.5746 6600.0 896.5398 1800.0 896.5803 3600.0 905.5392 2900.0 905.5934 1800.0 909.59 1900.0 910.5931 2000.0 913.5677 1300.0 923.5507 10000.0 923.6049 3900.0 924.5539 2600.0 937.5666 3300.0 939.6197 1600.0 941.5618 25000.0 942.5652 3800.0 955.5771 7800.0 956.579 1800.0 978.6477 2200.0 980.6644 3800.0 981.6674 3900.0 990.6479 8000.0 991.6516 11000.0 992.6545 1100.0 1008.6584 49000.0 1009.662 57000.0 1010.6685 5400.0 1018.6225 2600.0 1022.673 2200.0 1023.6759 1400.0 1026.6506 19000.0 1027.6514 3700.0 1035.6776 2900.0 1036.6348 31000.0 1037.6371 7000.0 1053.6882 1300.0 1054.6456 140000.0 1055.649 32000.0 END IONS BEGIN IONS SCANS=454 PEPMASS=1054.647 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7200.0 87.0441 2600.0 89.0598 2500.0 91.506 1100.0 99.0803 1500.0 101.0708 2200.0 115.0752 3300.0 117.0911 11000.0 126.1023 1600.0 133.0859 3400.0 157.1224 1400.0 168.1063 1200.0 175.1328 7000.0 177.112 2400.0 199.1801 1000.0 201.1232 1400.0 217.1365 1800.0 221.1382 1100.0 227.1749 3400.0 229.1181 4400.0 233.1744 3200.0 245.1314 7100.0 245.1856 4700.0 291.2148 1100.0 328.1859 6500.0 342.2009 3700.0 344.1991 5500.0 352.2476 7100.0 355.1856 5300.0 356.1893 2000.0 360.1577 1400.0 360.2124 5700.0 370.2584 3300.0 371.326 4300.0 372.3296 2000.0 395.2649 2800.0 413.2201 2500.0 413.2752 1100.0 423.2591 1700.0 441.2152 4000.0 441.2697 13000.0 442.2735 2800.0 454.2541 4700.0 455.2317 1000.0 455.2582 3100.0 455.2855 1400.0 455.3105 1700.0 455.3462 1500.0 457.2651 1000.0 458.2676 1200.0 459.2263 27000.0 459.2799 5000.0 460.229 1900.0 465.2775 1400.0 469.3266 2100.0 473.2415 3400.0 475.2939 1400.0 483.2878 6100.0 483.3421 4300.0 484.4102 2100.0 485.2843 1300.0 485.4134 1300.0 501.2985 7600.0 501.3527 1000.0 508.3488 1400.0 526.3055 3100.0 526.3585 1400.0 527.3442 1200.0 536.3437 2100.0 544.3141 3100.0 550.3848 1800.0 554.2988 4200.0 554.3535 7500.0 555.3569 1200.0 564.3995 2000.0 565.4034 1100.0 568.3943 3800.0 569.2798 1600.0 569.3985 1400.0 570.2841 1400.0 572.3102 12000.0 572.3638 5800.0 573.3136 1100.0 573.3684 1300.0 578.3602 3400.0 580.3594 1100.0 582.4095 4500.0 583.4122 2400.0 586.3265 1300.0 590.3195 2300.0 596.3716 9000.0 596.4254 7300.0 598.3698 2400.0 599.4369 3000.0 600.4397 3300.0 604.3378 2400.0 614.3821 17000.0 615.3846 1600.0 649.4537 1100.0 663.4687 1600.0 665.4467 1100.0 667.4372 4600.0 667.463 3000.0 668.4398 2200.0 668.4665 1800.0 671.4333 1800.0 677.429 3000.0 681.4786 4200.0 682.4815 1900.0 683.368 1500.0 683.4576 1300.0 685.3959 14000.0 685.448 50000.0 686.3967 1900.0 686.451 24000.0 687.4543 1600.0 693.4406 2400.0 695.4402 7200.0 696.4424 1000.0 697.4362 1500.0 701.4436 2200.0 702.4464 3300.0 703.4046 110000.0 704.408 12000.0 711.4517 6400.0 713.4504 17000.0 714.4542 2400.0 727.4663 2100.0 764.4785 1300.0 765.4997 1900.0 778.4952 1100.0 792.4561 1300.0 794.5629 1700.0 796.5032 1700.0 797.5065 1500.0 808.5252 1800.0 810.4669 4400.0 810.5233 2400.0 824.4806 2800.0 826.5349 6600.0 828.4755 4400.0 842.4933 3300.0 849.5692 1100.0 891.5773 2300.0 892.5822 2000.0 894.5947 1100.0 895.5596 4000.0 896.5333 1100.0 896.5738 1800.0 905.5906 1200.0 909.5889 4400.0 910.5936 3000.0 923.551 6100.0 923.6017 2600.0 924.5551 1200.0 924.6091 1300.0 937.5665 1300.0 941.5611 14000.0 942.5632 2300.0 955.5757 6300.0 956.5805 1300.0 980.6608 2000.0 981.6681 1300.0 990.6497 3900.0 991.6517 4800.0 994.677 2100.0 995.6826 2700.0 1004.6616 4700.0 1005.6655 4300.0 1008.6585 22000.0 1009.6616 25000.0 1010.6664 3200.0 1022.6726 19000.0 1023.676 25000.0 1024.6771 2700.0 1026.6508 11000.0 1027.6521 2200.0 1035.6761 5000.0 1036.6338 16000.0 1036.6805 1500.0 1037.6372 4100.0 1053.6876 4000.0 1054.6451 69000.0 1055.6478 16000.0 END IONS BEGIN IONS SCANS=455 PEPMASS=1054.6975 CHARGE=1 COLLISION_ENERGY=0.0 82.6369 1100.0 84.0449 1400.0 84.4814 1200.0 86.0947 2100.0 86.0968 28000.0 91.5081 2700.0 95.1477 1000.0 102.0527 1800.0 102.0547 2300.0 104.8136 1000.0 111.0151 1200.0 112.8921 1000.0 117.0908 4200.0 126.0472 1100.0 130.0129 1100.0 133.8575 1600.0 142.8045 1300.0 147.7902 1100.0 158.4338 1100.0 159.6528 2100.0 161.5373 1400.0 164.4387 1100.0 171.3209 1100.0 174.642 1200.0 175.1324 1500.0 183.1124 1400.0 185.1646 2200.0 190.1196 1100.0 199.1805 8500.0 201.1233 3300.0 210.029 1300.0 211.2117 1200.0 213.1599 3200.0 215.1026 3200.0 227.1751 49000.0 228.1786 1700.0 229.1178 10000.0 231.1703 3100.0 239.1904 1000.0 240.2326 1300.0 245.1855 23000.0 281.2218 3700.0 281.3758 1200.0 298.2483 4200.0 300.1914 1300.0 326.2433 39000.0 327.2467 1700.0 328.1863 32000.0 342.2018 9300.0 342.2638 2300.0 344.2533 12000.0 346.1973 1700.0 352.2476 6000.0 356.2152 1100.0 360.2117 22000.0 361.215 1100.0 368.2423 3800.0 368.3357 1300.0 369.2454 2400.0 370.0778 1200.0 370.2582 97000.0 371.2612 5900.0 377.782 1100.0 395.2648 8200.0 397.3385 1100.0 413.2747 9800.0 419.3256 1600.0 423.2594 9200.0 429.7748 1700.0 437.2757 1900.0 437.337 2200.0 439.3279 1400.0 441.2701 250000.0 442.2735 19000.0 447.3205 2100.0 453.8268 1000.0 455.2855 8500.0 455.3472 3400.0 456.2906 1400.0 459.2805 59000.0 460.283 3500.0 464.3174 1400.0 465.3316 22000.0 466.3344 1200.0 469.3271 4600.0 478.8126 1000.0 481.3271 1200.0 482.3312 1700.0 483.3422 380000.0 484.3453 30000.0 508.3481 5200.0 526.3585 15000.0 536.3432 7700.0 547.5859 1700.0 550.4197 1300.0 554.3538 56000.0 555.3574 7300.0 560.4044 3200.0 564.4003 2500.0 568.3704 3200.0 568.4308 10000.0 571.3533 1800.0 572.3644 58000.0 573.368 6000.0 576.4014 1200.0 578.4149 31000.0 579.4183 5500.0 582.4093 3700.0 595.4133 1500.0 596.426 460000.0 597.4289 52000.0 599.4071 1600.0 613.4232 1600.0 639.4449 2200.0 647.6473 1600.0 649.4261 1300.0 654.0737 1200.0 665.446 3600.0 667.4377 40000.0 667.4986 8900.0 668.4401 3600.0 668.5024 1600.0 677.484 27000.0 678.4862 4100.0 685.4483 560000.0 686.4515 81000.0 687.4539 5500.0 693.4423 1300.0 695.4944 210000.0 696.4972 28000.0 701.4429 2900.0 702.4456 2600.0 705.1194 1200.0 711.4504 1600.0 721.0843 1200.0 764.5158 6800.0 774.4981 1900.0 777.998 1300.0 779.7864 1300.0 792.5098 23000.0 793.5128 3900.0 810.5211 8500.0 811.5243 3200.0 814.4883 1200.0 824.5374 2300.0 865.8922 1400.0 882.7662 1500.0 886.6019 1200.0 905.5955 6700.0 923.5565 1900.0 923.6046 35000.0 924.608 4000.0 941.6039 1500.0 976.6315 1800.0 994.642 10000.0 1017.6777 1300.0 1018.2712 1500.0 1018.6738 1500.0 1025.6982 1300.0 1035.6772 6500.0 1036.686 12000.0 1037.6918 1900.0 1053.6874 16000.0 1054.6927 11000.0 END IONS BEGIN IONS SCANS=456 PEPMASS=1056.6262 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 3900.0 166.0528 1300.0 199.1801 1000.0 215.139 1100.0 227.1755 2900.0 253.169 1400.0 261.1263 1800.0 263.0693 6900.0 279.137 14000.0 326.2435 2700.0 328.1864 2800.0 330.1653 1200.0 338.2319 7700.0 356.2426 2400.0 362.1374 4600.0 374.2098 1100.0 376.1532 7400.0 394.1637 21000.0 395.2657 1100.0 423.2591 2300.0 423.3228 1000.0 429.216 1100.0 429.2331 1100.0 433.3053 1700.0 441.2703 19000.0 442.2733 1400.0 447.2272 1300.0 448.2108 1700.0 451.3164 9800.0 452.3193 1000.0 457.3377 1200.0 469.3269 9000.0 475.2218 6300.0 478.302 1700.0 489.2368 1500.0 493.2324 11000.0 503.2173 1000.0 507.2482 1500.0 524.3077 3400.0 524.3304 1100.0 542.3185 1300.0 543.2839 1100.0 546.3888 5400.0 552.3621 3500.0 560.3116 1700.0 564.3999 12000.0 565.4034 1700.0 570.2943 5100.0 582.4102 15000.0 583.4137 1700.0 588.3055 17000.0 588.3672 2800.0 589.3082 1200.0 602.3204 2300.0 606.316 12000.0 607.3201 1100.0 616.362 16000.0 617.3647 1300.0 619.3729 2300.0 620.332 5600.0 637.3916 6900.0 645.4574 4600.0 655.4024 13000.0 656.4045 1000.0 663.4678 8000.0 664.4714 1300.0 665.4468 1900.0 667.3902 8700.0 668.3964 1300.0 673.3943 4300.0 674.3774 1000.0 681.479 15000.0 682.4817 1900.0 683.3793 1700.0 685.4485 2300.0 686.4524 3000.0 687.4545 2500.0 688.4566 1900.0 695.493 1300.0 701.3897 24000.0 702.3923 3600.0 703.394 1600.0 713.379 4700.0 719.4001 240000.0 720.4031 29000.0 729.4448 4600.0 731.3892 14000.0 732.3922 1900.0 750.4995 2400.0 760.4846 2300.0 762.4647 1200.0 766.4581 3000.0 776.552 2200.0 778.4949 5600.0 778.5316 1800.0 780.4749 1300.0 785.4363 4700.0 794.5637 6900.0 795.5665 1000.0 796.5046 2800.0 812.4498 3600.0 826.4617 3700.0 830.4581 6200.0 842.5316 2200.0 844.4728 8400.0 845.4758 1700.0 845.574 1700.0 861.5338 1400.0 863.5826 4400.0 875.546 1300.0 879.5431 3300.0 880.509 1300.0 891.5816 4100.0 893.5566 4000.0 897.5347 1100.0 898.519 5700.0 907.5212 2100.0 909.5892 1700.0 915.5468 2100.0 925.5308 8800.0 926.534 1600.0 929.563 1600.0 939.5474 4600.0 940.5531 1700.0 941.5972 2500.0 943.5411 23000.0 944.5444 4900.0 956.6057 2300.0 957.5563 12000.0 958.5605 1200.0 964.6317 4000.0 974.6174 22000.0 975.6196 4600.0 992.627 110000.0 993.6306 22000.0 1010.6194 4100.0 1011.6027 4300.0 1012.6078 1200.0 1020.6035 4900.0 1020.6561 1100.0 1021.6017 1200.0 1028.6309 19000.0 1029.6334 4800.0 1037.6863 1700.0 1038.615 55000.0 1039.62 12000.0 1039.6738 1000.0 1055.696 3500.0 1056.6255 210000.0 1057.6285 46000.0 END IONS BEGIN IONS SCANS=457 PEPMASS=1056.626 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 4700.0 91.5082 1400.0 166.053 1100.0 180.1013 2900.0 201.1232 1400.0 219.1155 1400.0 227.1749 1100.0 229.1177 2300.0 243.1334 1100.0 244.0998 1400.0 245.1859 3500.0 247.1106 4100.0 261.1263 17000.0 296.1964 1100.0 328.1863 3400.0 332.1992 1500.0 338.2317 6200.0 342.2013 2100.0 352.2473 1000.0 356.2424 2800.0 360.1943 16000.0 360.2113 3500.0 362.1372 10000.0 372.1576 1700.0 374.2102 1000.0 376.1533 1100.0 378.2042 1000.0 411.2236 4600.0 413.2748 1100.0 414.2584 1900.0 423.2594 1200.0 425.238 1000.0 429.2154 2100.0 433.305 1500.0 441.2701 6600.0 441.3317 1000.0 447.2263 1600.0 451.3159 7200.0 455.285 1000.0 457.2111 7700.0 459.2802 7100.0 469.3261 8300.0 471.2266 1200.0 471.269 1100.0 475.2213 64000.0 476.2246 5300.0 485.2672 1800.0 487.3369 1000.0 489.2369 3500.0 491.2894 1600.0 503.2774 1100.0 524.3071 4400.0 538.3483 1400.0 542.2999 5800.0 552.3641 2400.0 554.3557 3500.0 554.4149 2200.0 559.2426 1900.0 560.3098 6900.0 564.4001 1200.0 570.2943 6700.0 580.3405 7600.0 581.3427 1100.0 582.4102 11000.0 583.4136 1500.0 584.3532 2900.0 586.2533 1800.0 588.3049 25000.0 589.3074 2800.0 598.3513 15000.0 599.3557 1200.0 602.3207 1400.0 606.3159 12000.0 616.3612 18000.0 617.3648 2100.0 619.3797 1200.0 620.3315 3500.0 633.422 1300.0 637.3904 6600.0 641.3867 5200.0 651.4322 3200.0 655.4025 13000.0 656.4056 1800.0 665.4478 2800.0 669.444 1900.0 672.3252 1300.0 673.3936 3100.0 679.404 1600.0 679.4268 3400.0 683.379 2300.0 687.4338 1100.0 695.4927 3100.0 697.4174 5300.0 697.4387 6000.0 698.4415 1900.0 699.3353 1000.0 701.3895 28000.0 702.3925 2700.0 705.3839 7400.0 711.4324 1200.0 715.4297 16000.0 716.4329 1800.0 719.3997 220000.0 720.4026 30000.0 723.4896 1100.0 729.4443 3200.0 731.3914 1700.0 733.4145 3700.0 746.4714 1300.0 751.4841 5300.0 764.5168 2500.0 765.5202 1200.0 766.4609 1400.0 778.494 1200.0 784.4515 1300.0 792.5103 1200.0 794.4344 5800.0 796.505 3100.0 810.5194 2900.0 812.4467 10000.0 828.5143 12000.0 829.5173 1300.0 830.4566 17000.0 831.4597 2300.0 833.5363 1300.0 834.5209 1100.0 842.5287 1800.0 844.4715 2100.0 861.533 4500.0 864.5681 1400.0 879.5426 9000.0 880.5468 1500.0 893.5571 1900.0 897.5349 5000.0 907.5168 3400.0 909.5875 2000.0 925.5297 17000.0 926.5344 3400.0 939.5455 4100.0 941.5997 2200.0 943.5406 38000.0 944.5449 5900.0 947.6044 1200.0 956.6036 1200.0 957.5557 6800.0 958.559 1600.0 964.631 6600.0 974.616 14000.0 975.6202 3300.0 992.6263 67000.0 993.6295 13000.0 1010.6182 4300.0 1011.6025 3500.0 1020.604 3900.0 1028.6299 29000.0 1029.6351 5800.0 1038.6144 47000.0 1039.616 9300.0 1056.6249 230000.0 1057.6283 54000.0 END IONS BEGIN IONS SCANS=458 PEPMASS=1056.626 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 4000.0 115.0752 1400.0 117.0908 2800.0 175.1321 1600.0 201.1232 1100.0 227.1751 1500.0 229.1183 3300.0 233.1316 4400.0 233.1744 1000.0 245.1857 3400.0 259.0748 1100.0 261.1263 15000.0 277.0841 2400.0 328.1859 4300.0 332.1992 6500.0 338.2321 6400.0 342.2015 1900.0 352.2472 1800.0 356.2422 2400.0 357.3094 1200.0 360.1945 30000.0 360.2107 4800.0 361.1974 1900.0 372.1582 1100.0 376.1528 1500.0 378.2049 2900.0 383.1922 1600.0 395.2643 1200.0 397.2074 2300.0 411.2231 4100.0 413.2756 1200.0 429.2162 3400.0 441.2704 8600.0 441.3317 1500.0 444.2157 1800.0 457.2113 5100.0 459.2801 5900.0 467.2567 8500.0 469.3265 4400.0 471.2253 1400.0 475.2215 43000.0 476.225 2200.0 483.3419 1300.0 485.2675 21000.0 487.3373 2100.0 489.2365 2200.0 491.2894 1400.0 496.275 2100.0 503.2777 18000.0 504.2804 1400.0 510.2913 2400.0 524.3071 6900.0 542.3 4100.0 552.3636 3500.0 554.3545 2600.0 559.2422 1500.0 560.3105 4500.0 568.3957 1900.0 570.2941 6300.0 570.3557 1600.0 572.3647 2900.0 580.3405 7200.0 582.4103 6900.0 584.3534 1800.0 585.4211 1100.0 586.2536 1100.0 588.3051 19000.0 588.3662 1600.0 589.308 2200.0 596.4257 1500.0 598.3511 18000.0 599.3547 1700.0 602.3215 1700.0 606.3163 3500.0 616.3615 27000.0 617.3657 2900.0 620.3315 3000.0 633.4212 1700.0 637.3906 6400.0 641.3851 4200.0 651.4326 3300.0 655.4029 11000.0 656.4056 1000.0 665.4474 2400.0 669.4437 1500.0 673.3936 2400.0 679.4042 6700.0 681.4783 1000.0 683.3771 1400.0 685.4497 2500.0 687.4359 1900.0 697.4187 11000.0 697.4406 4900.0 698.4229 1900.0 701.3892 26000.0 701.45 1600.0 702.3929 4000.0 705.3837 6800.0 713.3772 1300.0 715.4299 35000.0 716.4343 3300.0 719.3997 160000.0 720.4031 18000.0 729.4451 3700.0 748.4487 1700.0 751.4832 2800.0 766.4581 1400.0 778.4944 1100.0 778.5298 1300.0 784.4509 1500.0 794.4362 3900.0 796.5031 2500.0 800.5193 1900.0 808.4536 1100.0 810.5016 3600.0 812.4466 12000.0 813.4503 2200.0 826.4615 2900.0 828.5142 16000.0 829.5177 2700.0 830.4568 14000.0 831.4595 1700.0 842.5295 2100.0 844.4736 4500.0 861.5345 4000.0 879.5431 5900.0 880.5482 1300.0 891.5805 1200.0 897.5355 6600.0 898.5264 1500.0 907.5177 2400.0 909.5896 1300.0 925.531 17000.0 926.535 3200.0 929.5611 2000.0 939.5478 2600.0 941.5984 2100.0 943.541 37000.0 944.544 6700.0 946.6221 1100.0 956.6031 1300.0 957.5561 9600.0 958.562 1400.0 964.6351 4700.0 974.6167 15000.0 975.6203 2400.0 992.6269 55000.0 993.6313 11000.0 1010.6176 4800.0 1011.5998 2300.0 1020.6042 5200.0 1028.63 29000.0 1029.6337 5800.0 1038.6143 47000.0 1039.6185 11000.0 1056.6251 180000.0 1057.6284 43000.0 END IONS BEGIN IONS SCANS=459 PEPMASS=1056.6259 CHARGE=1 COLLISION_ENERGY=0.0 86.0964 4500.0 87.044 2200.0 89.0596 3800.0 99.0802 2000.0 101.096 1600.0 115.075 2900.0 117.0906 11000.0 133.0854 3100.0 157.1221 1000.0 175.1326 6100.0 177.1115 2000.0 227.1747 3300.0 229.1182 2400.0 233.131 1400.0 233.1746 3900.0 245.1853 2500.0 261.1263 5900.0 277.0847 1000.0 324.2156 2000.0 326.2427 1400.0 328.185 2200.0 332.1996 2300.0 338.2322 2800.0 342.2014 1800.0 352.2467 1300.0 356.2417 1400.0 360.1946 11000.0 360.2118 2800.0 395.265 1100.0 423.259 1500.0 424.2628 1000.0 429.215 1700.0 437.2997 2400.0 438.3028 1400.0 441.2698 9600.0 442.2735 5300.0 443.2756 2100.0 451.3149 1600.0 455.2854 1700.0 455.3106 2400.0 456.3138 1800.0 457.2114 3200.0 459.2804 3400.0 460.2834 1600.0 467.2561 3600.0 469.3262 2400.0 475.2216 23000.0 476.2231 1100.0 485.2666 6600.0 503.2775 6200.0 508.3476 1800.0 509.3509 1100.0 524.3065 2600.0 526.3583 1400.0 536.3437 1600.0 538.3494 1300.0 542.3012 1500.0 550.3838 2800.0 551.3887 3600.0 552.3878 1300.0 554.3542 4400.0 555.3577 3400.0 556.3596 1900.0 560.3093 1400.0 568.3942 6100.0 569.3977 7000.0 570.2941 2800.0 570.4012 3700.0 571.4037 1200.0 572.3642 1700.0 573.3676 1500.0 580.3395 3900.0 582.4084 3100.0 588.3049 12000.0 589.3088 1400.0 598.3509 8300.0 602.3195 1100.0 606.3154 3000.0 616.3611 12000.0 620.3309 1400.0 637.3891 3000.0 649.4521 2500.0 650.4548 2900.0 651.4312 1600.0 651.4596 2000.0 655.402 6700.0 657.4159 1100.0 666.4128 1000.0 667.4401 3800.0 667.4623 3900.0 668.4391 4700.0 668.4662 5300.0 669.4426 3200.0 669.4691 4400.0 670.472 1100.0 673.3948 1600.0 679.4074 2100.0 683.4224 2000.0 684.4272 1600.0 685.4488 30000.0 686.4515 40000.0 687.4291 1500.0 687.4542 34000.0 688.4305 1400.0 688.4562 7200.0 697.418 5000.0 697.4396 3500.0 701.389 11000.0 701.4416 1100.0 701.4719 1000.0 702.3918 1700.0 702.4465 1700.0 703.4038 3100.0 715.4297 15000.0 716.434 2500.0 719.3994 88000.0 720.4026 12000.0 729.4461 1800.0 746.4715 1000.0 751.4852 1800.0 765.4821 1100.0 766.4858 1900.0 781.5215 1200.0 781.5516 1300.0 782.5555 2300.0 783.4916 1500.0 784.456 1000.0 784.4962 2900.0 794.4365 1200.0 796.5056 1700.0 812.4462 7100.0 826.461 2000.0 828.5132 6300.0 830.4572 6000.0 844.4727 1300.0 849.5672 1000.0 850.5734 1100.0 851.5736 1600.0 861.5306 1500.0 877.5632 1500.0 878.5656 2700.0 879.5724 3600.0 891.58 1300.0 895.572 2500.0 896.5776 6400.0 897.5346 2900.0 897.5798 10000.0 898.5828 2300.0 907.5192 1300.0 909.5876 1400.0 910.5922 1100.0 911.5912 2400.0 925.5294 7900.0 926.5346 1700.0 939.5461 1800.0 943.5402 18000.0 944.5435 4000.0 957.5568 4700.0 964.629 2700.0 974.614 6900.0 980.6631 1400.0 981.665 1700.0 982.6689 5600.0 983.6716 1900.0 990.649 2900.0 991.6513 5700.0 992.6273 19000.0 993.6299 2500.0 993.6583 3500.0 994.6389 1700.0 995.6454 1800.0 1008.6576 19000.0 1009.6603 26000.0 1010.6638 70000.0 1011.6665 31000.0 1012.6691 2500.0 1020.6024 2700.0 1020.657 3700.0 1021.6578 3400.0 1028.6298 14000.0 1029.6316 3100.0 1037.6815 3900.0 1038.6146 26000.0 1038.6725 4300.0 1039.5618 1300.0 1039.6166 5200.0 1039.6731 3200.0 1040.6283 3000.0 1055.6975 3500.0 1056.6243 97000.0 1057.5732 2700.0 1057.6271 23000.0 END IONS BEGIN IONS SCANS=460 PEPMASS=1056.6259 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1300.0 86.0967 2100.0 87.0443 3100.0 89.06 4400.0 99.0807 1400.0 101.0711 1600.0 101.0963 1200.0 115.0755 3600.0 117.0911 12000.0 128.1182 1700.0 133.0859 4800.0 157.1221 1400.0 175.1326 6900.0 177.1117 2600.0 227.1754 1600.0 227.6536 1100.0 233.1314 1300.0 233.1747 4600.0 245.1853 1300.0 261.1261 3100.0 291.2161 1600.0 324.2171 1100.0 328.1859 1900.0 338.2318 1400.0 342.2023 1100.0 360.1945 6600.0 360.2118 2300.0 437.2999 1300.0 438.3029 1400.0 441.2702 3500.0 442.2737 2700.0 455.2854 1200.0 456.3132 1000.0 457.2115 1200.0 457.317 1000.0 459.2801 2500.0 467.2572 1900.0 469.3261 1400.0 475.2218 9400.0 485.2669 5200.0 503.2778 4500.0 524.3078 1300.0 550.3833 1400.0 551.3892 1100.0 554.3531 1600.0 555.3575 1800.0 556.3578 1000.0 568.3941 2600.0 569.3983 3800.0 570.2941 1700.0 570.4014 2500.0 572.364 1800.0 580.3398 1400.0 582.4103 1200.0 588.3051 4200.0 598.3509 3600.0 616.3615 7000.0 637.3916 1200.0 651.4294 1300.0 655.4041 2300.0 667.4622 1200.0 668.4401 1300.0 668.4664 2400.0 669.4422 1800.0 669.4685 2300.0 679.4078 1800.0 683.4192 1100.0 685.4492 8700.0 686.4517 20000.0 687.4543 22000.0 688.4558 4800.0 697.4142 2900.0 701.3889 7100.0 702.3912 1200.0 703.4042 1300.0 715.4296 7800.0 716.4304 1100.0 719.3997 37000.0 720.4031 4900.0 729.444 1500.0 751.4824 1100.0 782.5514 1000.0 784.494 1300.0 796.5053 1000.0 798.5114 1200.0 812.447 2600.0 826.4601 1000.0 828.5142 2900.0 830.4586 3100.0 851.5729 1400.0 879.5701 1200.0 880.5723 1000.0 896.5781 2500.0 897.5336 1600.0 897.5784 4800.0 898.5822 2000.0 911.5951 1500.0 925.5317 4100.0 943.5406 8600.0 944.5397 1100.0 957.5556 2300.0 974.6124 2900.0 982.6693 2900.0 991.6462 1200.0 992.6147 7000.0 992.6501 3600.0 993.6546 2300.0 1008.6588 2600.0 1009.6616 7200.0 1010.6643 46000.0 1011.6675 21000.0 1012.6678 1400.0 1020.6021 1200.0 1024.6783 1400.0 1028.6304 6900.0 1029.6293 1500.0 1038.6149 11000.0 1039.6173 3300.0 1055.6925 1300.0 1056.6224 39000.0 1057.5732 1000.0 1057.6254 9100.0 END IONS BEGIN IONS SCANS=461 PEPMASS=1058.6733 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 9100.0 89.0602 1900.0 101.0712 1200.0 115.0757 1400.0 117.0911 4600.0 131.0813 3500.0 133.0859 1500.0 175.1327 2200.0 233.1747 1400.0 1058.6714 75000.0 1059.6748 16000.0 END IONS BEGIN IONS SCANS=462 PEPMASS=1058.673 CHARGE=1 COLLISION_ENERGY=0.0 1058.6713 380000.0 1059.6744 79000.0 END IONS BEGIN IONS SCANS=463 PEPMASS=1058.6704 CHARGE=1 COLLISION_ENERGY=0.0 1058.6713 380000.0 1059.6744 79000.0 END IONS BEGIN IONS SCANS=464 PEPMASS=1058.6721 CHARGE=1 COLLISION_ENERGY=0.0 1058.6715 170000.0 1059.675 34000.0 END IONS BEGIN IONS SCANS=465 PEPMASS=1058.6725 CHARGE=1 COLLISION_ENERGY=0.0 1058.6715 170000.0 1059.675 34000.0 END IONS BEGIN IONS SCANS=466 PEPMASS=1058.6737 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 3800.0 117.0913 1900.0 131.0817 1600.0 1058.6718 70000.0 1059.6748 14000.0 END IONS BEGIN IONS SCANS=467 PEPMASS=1062.5772 CHARGE=1 COLLISION_ENERGY=0.0 89.0601 1400.0 115.0756 1800.0 117.091 6200.0 133.0859 2200.0 175.1328 2800.0 177.1121 1100.0 233.175 1600.0 508.2222 1000.0 534.2383 1000.0 568.2424 1900.0 594.2579 1900.0 626.285 1300.0 666.2418 1800.0 702.3894 2700.0 720.3981 3400.0 728.4039 1600.0 733.3208 1600.0 739.368 3700.0 751.3317 1300.0 764.4242 1200.0 800.3885 3000.0 806.3386 1400.0 818.3981 6900.0 832.389 2900.0 836.4084 5200.0 846.4047 1800.0 856.3897 1200.0 874.4005 3300.0 876.3785 1100.0 885.4784 1000.0 892.4105 3800.0 894.3876 2900.0 903.4885 1900.0 913.4725 5200.0 921.4985 4400.0 931.4819 7100.0 932.4838 1100.0 949.4932 2600.0 956.5162 1300.0 974.5237 2400.0 975.5266 3000.0 1000.5762 4500.0 1001.5069 1600.0 1002.558 1600.0 1003.5596 2100.0 1016.5723 1200.0 1017.5784 1600.0 1018.5168 3500.0 1018.585 2100.0 1019.5187 4600.0 1026.5554 27000.0 1027.5574 4200.0 1034.5823 2000.0 1043.5709 7000.0 1044.5669 130000.0 1045.5698 24000.0 1061.5797 16000.0 1062.5773 290000.0 1063.5803 63000.0 1064.5801 1700.0 END IONS BEGIN IONS SCANS=468 PEPMASS=1064.5815 CHARGE=1 COLLISION_ENERGY=0.0 86.0968 4300.0 120.0809 4800.0 233.1646 1600.0 261.1594 3400.0 303.1699 32000.0 304.1731 1500.0 330.18 2600.0 344.1968 2200.0 355.1971 1300.0 374.243 2000.0 401.2178 2600.0 408.2283 2400.0 422.243 4800.0 443.265 2600.0 450.2381 100000.0 451.2414 7900.0 491.2648 4200.0 502.2649 8600.0 514.3018 4100.0 563.3221 91000.0 564.3253 11000.0 590.3333 1800.0 597.3392 1700.0 604.3495 1600.0 615.3493 16000.0 616.3529 2000.0 661.3703 5000.0 685.4476 2500.0 703.4147 1200.0 710.3903 19000.0 711.3935 3500.0 744.4052 1200.0 762.4178 20000.0 763.4207 3300.0 774.4527 2400.0 793.4273 19000.0 794.4297 4100.0 811.4366 1400.0 864.5006 2300.0 875.5023 9500.0 876.5036 2800.0 892.496 15000.0 893.4991 2400.0 963.5338 3800.0 964.535 1200.0 1000.5908 1200.0 1063.6267 1400.0 1064.5925 2100.0 1064.6376 2200.0 END IONS BEGIN IONS SCANS=469 PEPMASS=1064.7217 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1500.0 227.1754 1600.0 243.1336 2400.0 352.2484 1200.0 356.2173 2700.0 374.2282 2900.0 465.3308 2500.0 469.3014 4900.0 483.3423 2600.0 487.3126 1800.0 560.4062 1300.0 578.415 3800.0 582.3846 3700.0 596.4257 7200.0 600.3962 3600.0 673.4915 1100.0 691.4998 2300.0 695.4706 1400.0 709.5106 5400.0 713.4798 31000.0 714.4836 3700.0 725.4691 3000.0 793.5323 1100.0 820.5416 1900.0 838.5531 7200.0 933.6276 1500.0 951.6364 7400.0 1032.6923 2300.0 1036.7269 5300.0 1046.7106 3300.0 1064.7207 24000.0 1065.7225 4900.0 END IONS BEGIN IONS SCANS=470 PEPMASS=1064.7236 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 7700.0 192.1237 1000.0 199.1802 2900.0 217.119 2100.0 227.1749 8200.0 229.118 3700.0 245.1853 4900.0 340.2589 5500.0 342.2017 12000.0 358.2693 1300.0 360.2122 7000.0 366.2632 9100.0 384.2735 8200.0 409.2797 5000.0 410.264 1100.0 427.2908 2700.0 428.2749 1200.0 437.2752 7300.0 455.2857 48000.0 456.2897 3100.0 471.3533 1700.0 473.2964 8900.0 479.3471 13000.0 480.3501 1100.0 497.3578 22000.0 498.3605 1100.0 499.3007 1600.0 515.3687 2400.0 522.3639 5600.0 523.3477 1800.0 540.3746 4800.0 550.359 5900.0 560.4053 1300.0 566.379 1200.0 568.3696 22000.0 569.3735 2700.0 574.4205 3400.0 582.4469 3200.0 586.3802 15000.0 587.3835 1700.0 592.431 15000.0 593.4346 1900.0 594.375 1600.0 610.4416 40000.0 611.4457 4700.0 612.3842 4000.0 635.4488 1100.0 653.459 2000.0 663.4433 1400.0 679.4633 4100.0 681.4533 18000.0 682.4579 2600.0 687.5033 1700.0 695.5308 2000.0 697.4724 1900.0 699.4641 170000.0 700.4674 20000.0 705.5153 7700.0 707.4584 5200.0 723.5252 28000.0 724.528 3900.0 725.4682 13000.0 726.4728 1600.0 792.546 4100.0 793.5292 4600.0 802.531 2200.0 808.6143 2100.0 810.5591 1600.0 818.5994 1200.0 820.5416 12000.0 821.5452 1700.0 836.6091 11000.0 837.6133 1600.0 838.5524 15000.0 839.5557 2400.0 848.5367 1400.0 905.6313 6200.0 906.6115 3500.0 915.6169 1400.0 923.6426 3600.0 933.626 14000.0 934.63 2700.0 949.6912 1000.0 951.6362 36000.0 952.6394 6300.0 1018.7151 2900.0 1019.6978 3300.0 1020.7059 1100.0 1028.6984 1800.0 1032.6954 1900.0 1036.7256 18000.0 1037.7272 3300.0 1046.71 23000.0 1047.7131 5200.0 1064.7208 110000.0 1065.7236 29000.0 END IONS BEGIN IONS SCANS=471 PEPMASS=1064.725 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 8400.0 192.1239 1100.0 199.1803 2500.0 201.1228 1100.0 217.1194 1800.0 227.1754 9900.0 229.1179 3600.0 245.1856 6000.0 326.2431 5100.0 328.1858 5100.0 340.2592 1800.0 342.2022 5500.0 360.2122 7600.0 366.2632 2100.0 380.2791 7600.0 395.2649 4500.0 398.2899 3900.0 409.2807 1500.0 413.2752 2300.0 423.2593 5000.0 437.2751 2000.0 441.2701 33000.0 442.2738 2400.0 455.2856 14000.0 457.3373 1000.0 459.2803 6600.0 473.2962 3100.0 479.348 2300.0 483.378 1100.0 493.3629 11000.0 497.3579 4300.0 508.3488 5900.0 511.3733 17000.0 512.3768 1800.0 522.3646 1600.0 526.3585 3700.0 529.384 1300.0 536.3436 4900.0 550.3586 1800.0 554.3535 16000.0 555.3572 1700.0 568.3694 6300.0 572.3644 6700.0 574.4181 1200.0 580.3962 1300.0 586.3803 7000.0 588.436 5000.0 592.4311 4000.0 596.4611 2500.0 606.4467 13000.0 607.4501 1400.0 610.4416 10000.0 624.4573 33000.0 625.4608 3500.0 626.4006 2600.0 627.4677 1300.0 639.4427 1900.0 649.4286 1500.0 667.4375 15000.0 668.4409 1700.0 681.4539 3800.0 685.4485 150000.0 686.4518 18000.0 687.5043 4700.0 693.4796 2000.0 699.4639 36000.0 700.4676 5500.0 705.5156 10000.0 706.5194 2300.0 707.4581 2200.0 709.5456 1100.0 711.4874 1300.0 713.4806 1000.0 719.5323 1200.0 721.4739 4000.0 723.5255 23000.0 724.5265 3100.0 725.4673 4200.0 737.5418 2900.0 739.4844 10000.0 740.4867 1300.0 792.5465 1800.0 793.5308 3500.0 802.5317 2600.0 806.564 1300.0 808.614 1000.0 818.5975 2500.0 820.5418 9300.0 821.5444 1500.0 834.5558 3200.0 836.6083 12000.0 837.6135 1900.0 838.5526 11000.0 839.5557 1200.0 850.6263 1900.0 852.5677 4000.0 887.6207 1200.0 905.6321 6300.0 906.6179 4200.0 915.614 2200.0 923.6421 1200.0 933.6257 16000.0 934.6334 2600.0 937.6564 1200.0 947.6399 1700.0 949.6942 1800.0 951.6364 30000.0 952.6405 6100.0 965.6522 7300.0 966.6556 1400.0 1018.715 3500.0 1019.6989 3900.0 1020.7038 1300.0 1028.6997 1900.0 1036.7255 17000.0 1037.729 3800.0 1046.7098 29000.0 1047.7144 7700.0 1064.7207 140000.0 1065.7238 32000.0 END IONS BEGIN IONS SCANS=472 PEPMASS=1064.7231 CHARGE=1 COLLISION_ENERGY=0.0 73.7061 1700.0 74.3978 1500.0 75.3896 1800.0 75.7695 1800.0 76.817 1600.0 83.927 2100.0 84.0446 2600.0 85.0936 2000.0 86.0949 3500.0 86.0968 48000.0 86.1202 1900.0 88.4963 1800.0 91.5828 1800.0 92.2274 1800.0 97.223 1700.0 115.7679 1700.0 116.1127 1800.0 123.5576 1800.0 126.1434 1700.0 130.0495 3300.0 180.852 2200.0 183.1126 3200.0 185.1645 3800.0 185.8535 1900.0 199.1807 10000.0 201.1229 8100.0 211.0022 3800.0 213.1594 6000.0 227.1751 57000.0 229.1181 23000.0 231.17 2700.0 243.1329 4000.0 245.1856 32000.0 268.2636 2400.0 281.2219 2700.0 281.6248 1900.0 283.1642 3600.0 283.2011 4400.0 283.9315 1900.0 293.1848 2000.0 295.2369 2100.0 296.1962 5500.0 297.1805 4100.0 299.8817 1900.0 300.085 2100.0 300.1917 2100.0 311.1964 5300.0 324.19 3000.0 326.2433 34000.0 327.2466 2500.0 328.1857 41000.0 338.207 2700.0 339.2777 2000.0 340.2597 3400.0 342.2014 27000.0 344.2548 5000.0 358.2684 4800.0 360.2121 47000.0 364.3181 2300.0 370.2938 2200.0 380.2788 57000.0 381.2822 6000.0 392.2542 2800.0 394.1964 2100.0 395.2648 30000.0 396.2486 7300.0 396.2664 1800.0 398.2896 45000.0 399.2928 2900.0 399.3572 11000.0 400.3586 2000.0 406.5435 2100.0 408.2125 2300.0 409.2807 3100.0 411.3315 2800.0 413.2749 12000.0 414.2606 5000.0 414.2768 2100.0 423.2594 38000.0 426.2233 2100.0 426.325 2300.0 427.2899 4200.0 437.2746 7100.0 439.3274 2800.0 441.2701 260000.0 442.2736 19000.0 447.3563 2700.0 455.2854 31000.0 457.3374 12000.0 459.2808 42000.0 460.284 3000.0 469.266 2800.0 473.2964 4900.0 475.3522 12000.0 483.3783 7700.0 493.3627 76000.0 494.3665 9300.0 495.3054 3700.0 507.2796 4400.0 508.3485 40000.0 509.3327 11000.0 511.3734 110000.0 512.377 14000.0 512.4419 3000.0 513.3159 9900.0 525.2918 6500.0 526.3589 30000.0 527.3429 3500.0 527.3634 2900.0 529.3836 14000.0 536.3432 43000.0 537.3477 3000.0 550.3595 5400.0 552.3024 6800.0 554.3535 130000.0 555.3569 11000.0 560.4422 2400.0 568.369 16000.0 570.421 7800.0 572.3641 54000.0 573.3684 4400.0 578.4515 5800.0 580.3951 5600.0 586.3799 28000.0 588.4357 28000.0 589.4375 3300.0 592.4321 4700.0 596.4623 19000.0 596.7806 2500.0 606.4467 95000.0 607.4495 10000.0 608.3898 7400.0 610.4413 8200.0 616.7075 2500.0 621.4318 6500.0 622.4158 5200.0 624.457 210000.0 625.4608 25000.0 626.4003 23000.0 627.4695 6300.0 638.3771 2900.0 639.4417 16000.0 640.4243 3900.0 647.9002 2700.0 649.429 11000.0 665.3853 3400.0 667.438 120000.0 668.442 13000.0 679.4621 2700.0 685.4482 1100000.0 686.4516 140000.0 687.5038 20000.0 692.5204 2300.0 693.48 9300.0 695.5315 3000.0 699.463 9800.0 703.4614 4100.0 705.5153 61000.0 706.5185 8800.0 707.4589 8000.0 709.547 7400.0 711.4894 6900.0 719.5321 6100.0 721.4741 30000.0 722.478 2600.0 723.5252 150000.0 724.5286 20000.0 725.4685 6800.0 726.5378 4500.0 737.5405 30000.0 739.4836 69000.0 740.4886 9300.0 754.5671 3000.0 765.5351 4400.0 774.5362 4300.0 778.4709 3200.0 792.5475 10000.0 793.5311 18000.0 796.4803 2800.0 802.531 18000.0 803.5377 3800.0 805.6069 3000.0 806.5605 9900.0 807.544 2700.0 808.6146 5700.0 810.5571 4500.0 816.5471 5500.0 818.599 14000.0 819.6006 2900.0 820.5414 51000.0 821.5452 11000.0 822.6323 3100.0 823.6329 2300.0 824.5717 3400.0 834.5578 21000.0 835.5582 2700.0 836.6094 68000.0 837.6118 12000.0 838.5518 59000.0 839.5562 11000.0 850.625 8200.0 851.6268 3500.0 852.5682 28000.0 853.5702 5800.0 875.772 2500.0 881.9294 2400.0 887.6177 6300.0 888.6061 2900.0 904.6719 5700.0 905.6306 45000.0 906.6129 21000.0 907.6157 4200.0 915.6151 17000.0 923.642 9100.0 930.6193 3000.0 933.6262 77000.0 934.6302 18000.0 935.6782 2400.0 937.6569 8900.0 947.6398 17000.0 948.6433 3300.0 949.6931 10000.0 951.6359 160000.0 952.639 29000.0 959.6769 2900.0 961.6199 2800.0 965.6519 54000.0 966.6541 15000.0 1001.6843 3700.0 1018.7153 19000.0 1019.6982 19000.0 1020.7013 4400.0 1028.6997 13000.0 1029.7003 6000.0 1036.7256 120000.0 1037.7297 27000.0 1046.71 180000.0 1047.7131 48000.0 1064.7203 890000.0 1065.7234 210000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=1067.7333 CHARGE=1 COLLISION_ENERGY=0.0 86.0946 1000.0 86.0966 11000.0 89.0599 1400.0 99.2992 1400.0 99.3005 1500.0 115.0754 1300.0 117.0908 4500.0 133.0858 1500.0 175.1323 2500.0 199.1808 4000.0 199.9458 1000.0 201.123 2300.0 209.5439 2900.0 227.1753 18000.0 229.1182 7500.0 243.133 1000.0 245.1855 9000.0 295.2375 1200.0 296.1959 1100.0 324.1912 1500.0 324.2161 11000.0 325.2205 1100.0 340.2591 9900.0 342.2017 21000.0 342.2263 4900.0 343.2949 2200.0 358.2689 3100.0 360.2122 9500.0 366.263 1500.0 370.1962 1400.0 409.2801 8100.0 410.2638 1300.0 419.2888 2300.0 423.2957 1400.0 427.2903 2900.0 427.3165 2100.0 428.2739 1900.0 437.276 14000.0 437.3001 22000.0 441.2695 1700.0 451.2904 1500.0 455.2855 86000.0 455.3108 33000.0 456.2893 6500.0 456.3137 2200.0 457.2542 2600.0 471.3534 4000.0 473.2962 21000.0 473.321 9500.0 497.3579 1800.0 504.3784 1500.0 508.3722 1500.0 521.2958 2400.0 522.3643 17000.0 522.3884 1400.0 523.3483 2300.0 523.3684 1500.0 524.3319 2500.0 532.3737 13000.0 539.3076 1300.0 540.3746 11000.0 540.3998 5100.0 550.3591 16000.0 550.3842 40000.0 551.3624 2100.0 551.3875 4400.0 552.3266 4800.0 566.3172 2800.0 568.3695 49000.0 568.3947 100000.0 569.3726 4200.0 569.3981 8900.0 570.3378 10000.0 571.4053 1900.0 584.4357 3500.0 586.3799 33000.0 587.3834 3500.0 610.443 1100.0 619.4034 1000.0 635.4472 2500.0 636.4296 1100.0 637.4142 4600.0 645.4581 8600.0 646.4623 1800.0 653.4574 4100.0 653.4844 2600.0 654.4418 1100.0 655.4254 3900.0 663.4413 3100.0 663.4679 31000.0 664.4714 5000.0 665.4113 15000.0 667.4377 1100.0 667.4636 1000.0 679.4009 1600.0 681.4531 43000.0 681.4791 72000.0 682.4562 5000.0 682.4824 8400.0 683.4218 33000.0 684.4248 3600.0 685.4474 6800.0 686.4517 1400.0 691.462 1200.0 693.4075 1600.0 698.5061 1200.0 699.464 580000.0 700.4676 68000.0 715.4583 1100.0 716.4667 1200.0 732.4865 1800.0 733.4725 1100.0 750.5008 7200.0 751.4834 8500.0 760.4831 8200.0 766.5692 1500.0 768.5089 2200.0 776.5516 4800.0 778.4946 34000.0 779.4966 5600.0 794.5627 29000.0 795.5663 4100.0 796.5055 42000.0 797.5082 7000.0 804.5472 1400.0 806.489 1900.0 823.5057 1900.0 845.5732 6000.0 863.5837 24000.0 864.569 7600.0 873.5681 6600.0 874.5722 1100.0 881.5938 5500.0 891.5786 59000.0 892.5814 7800.0 907.6446 5900.0 908.6513 1200.0 909.5893 120000.0 910.5922 22000.0 917.6342 2100.0 919.5739 2400.0 935.6406 1700.0 937.5854 1400.0 949.5475 1000.0 976.6677 8700.0 977.6506 9400.0 986.6522 8800.0 987.6548 1700.0 994.5646 1000.0 994.6788 60000.0 995.6816 11000.0 1004.6631 140000.0 1005.6667 31000.0 1008.6575 2400.0 1009.6592 1200.0 1022.6734 710000.0 1023.6768 160000.0 1032.6575 1900.0 1048.6913 2300.0 1049.6923 4000.0 1066.6373 2200.0 1066.6998 2200.0 1067.5811 1400.0 1067.6387 2100.0 1067.7014 3400.0 1068.7072 1400.0 END IONS BEGIN IONS SCANS=474 PEPMASS=1067.7328 CHARGE=1 COLLISION_ENERGY=0.0 74.6824 5300.0 82.3717 6000.0 82.9389 5200.0 83.9099 5200.0 86.0948 10000.0 86.0965 87000.0 86.2726 9600.0 90.2792 7000.0 91.7275 5400.0 92.9546 5200.0 93.8189 5200.0 95.8521 5600.0 96.8759 5400.0 97.0154 5300.0 98.5424 8400.0 98.5436 7400.0 104.0182 6000.0 106.4532 6800.0 112.4672 5400.0 113.802 6900.0 114.9182 5300.0 124.8382 6700.0 125.7977 6000.0 138.9022 6700.0 144.2751 5700.0 153.94 5300.0 159.5814 5500.0 162.1018 5400.0 172.9057 6000.0 182.5447 5200.0 183.113 6300.0 199.1802 20000.0 201.1224 18000.0 201.6564 5100.0 207.2301 24000.0 227.175 110000.0 229.1181 51000.0 231.1696 6600.0 243.1332 9500.0 245.1858 61000.0 253.078 6200.0 259.0979 7600.0 281.2218 9500.0 286.1395 7000.0 295.2376 9500.0 296.1958 7400.0 297.1801 7300.0 305.4954 6100.0 323.8746 6800.0 326.2429 79000.0 328.1859 92000.0 338.2319 120000.0 342.2015 64000.0 344.2535 14000.0 356.2423 67000.0 357.3099 20000.0 358.2686 15000.0 358.2942 7800.0 360.2123 110000.0 395.2645 64000.0 396.2491 10000.0 405.31 7000.0 409.2806 18000.0 413.2744 26000.0 414.2589 10000.0 423.2595 89000.0 423.3201 12000.0 425.7762 6700.0 427.2898 6400.0 433.3045 17000.0 437.2747 30000.0 441.27 720000.0 441.3318 14000.0 442.2734 42000.0 449.3861 6700.0 449.855 6200.0 451.2525 8000.0 451.316 170000.0 452.3186 12000.0 455.2851 76000.0 457.3375 19000.0 459.2805 130000.0 469.3266 290000.0 470.3298 17000.0 470.3943 8600.0 471.2676 17000.0 471.3539 7900.0 473.2956 14000.0 479.6119 7300.0 487.3365 69000.0 488.3424 7800.0 491.1863 10000.0 507.2794 19000.0 508.3488 110000.0 509.3329 11000.0 509.3522 8500.0 518.3935 9100.0 526.3589 87000.0 527.3437 12000.0 527.3627 8000.0 536.3434 160000.0 536.4062 6800.0 537.3464 21000.0 538.3487 12000.0 544.478 7700.0 546.3891 92000.0 547.3919 10000.0 552.3009 19000.0 554.3537 380000.0 554.4142 48000.0 555.3568 41000.0 556.3596 7000.0 564.3997 310000.0 565.4031 25000.0 566.3427 12000.0 568.3696 40000.0 568.395 16000.0 570.4197 16000.0 572.364 160000.0 573.369 9400.0 582.4101 750000.0 583.4138 78000.0 584.3519 55000.0 585.3564 6500.0 585.4205 14000.0 586.3802 68000.0 596.207 6300.0 600.4213 8900.0 601.0889 7000.0 621.4318 18000.0 638.3753 11000.0 639.4424 51000.0 645.4575 80000.0 646.4608 6400.0 649.426 47000.0 650.4345 6300.0 651.4313 29000.0 653.4848 13000.0 661.417 8700.0 663.4678 280000.0 664.4715 39000.0 665.3859 11000.0 665.4123 14000.0 667.4377 490000.0 667.4996 25000.0 668.4409 51000.0 669.4415 32000.0 671.431 19000.0 677.484 16000.0 679.4271 84000.0 680.4299 11000.0 681.4788 600000.0 682.4818 75000.0 683.4206 17000.0 684.4902 8800.0 685.4482 4900000.0 686.4516 520000.0 695.4944 82000.0 696.498 8700.0 697.437 290000.0 698.4409 32000.0 699.462 8400.0 705.4794 8300.0 712.5209 12000.0 731.9953 6300.0 732.4883 10000.0 733.4718 8100.0 740.5349 7400.0 750.5005 35000.0 751.484 56000.0 752.4879 13000.0 752.8718 7100.0 760.4847 49000.0 761.4874 8000.0 764.516 27000.0 766.5676 12000.0 768.5106 13000.0 774.4982 14000.0 776.5516 45000.0 778.4948 200000.0 779.4995 33000.0 780.5437 7200.0 782.5267 15000.0 786.295 6500.0 790.5682 7900.0 792.5112 74000.0 794.5622 200000.0 795.5649 29000.0 796.5055 300000.0 797.5079 36000.0 808.5786 29000.0 810.5212 110000.0 811.5223 12000.0 820.5018 7700.0 845.5734 35000.0 846.5713 9000.0 862.6223 23000.0 863.5836 200000.0 864.5656 82000.0 865.5729 11000.0 873.5661 56000.0 874.5699 8300.0 881.5919 27000.0 889.6361 13000.0 891.5783 430000.0 892.5823 60000.0 895.6108 22000.0 905.5952 55000.0 906.5998 8300.0 907.6462 37000.0 908.6514 9800.0 909.5893 740000.0 910.5928 140000.0 919.5741 17000.0 923.6049 200000.0 924.6077 27000.0 937.587 11000.0 959.6385 7700.0 976.6686 65000.0 977.6509 84000.0 978.6558 17000.0 986.6519 75000.0 987.652 18000.0 994.679 430000.0 995.6816 82000.0 1004.6627 1100000.0 1005.6662 240000.0 1022.6732 5900000.0 1023.6761 1200000.0 1067.6382 8800.0 END IONS BEGIN IONS SCANS=475 PEPMASS=1067.733 CHARGE=1 COLLISION_ENERGY=0.0 441.2704 5200.0 455.2855 1200.0 465.3315 1600.0 483.3424 2700.0 508.3488 1300.0 536.3444 1200.0 554.3538 2300.0 560.4052 1200.0 564.3994 1400.0 572.3636 1100.0 578.4146 2400.0 582.4099 3600.0 586.3788 1200.0 596.4262 4800.0 653.4216 2700.0 667.437 2200.0 671.433 29000.0 672.4369 4300.0 677.484 2800.0 681.4781 1400.0 685.4486 16000.0 686.453 2300.0 695.4944 6000.0 697.4365 1700.0 699.4641 8400.0 700.4667 1700.0 792.5098 1300.0 810.521 2200.0 824.5344 1400.0 863.5826 1200.0 891.5768 1900.0 905.5917 1700.0 909.5908 2100.0 923.6041 4700.0 937.6185 1700.0 994.6768 3000.0 1004.6633 8400.0 1005.6688 2000.0 1018.6758 1700.0 1022.6734 46000.0 1023.6769 9600.0 1032.6935 1900.0 1036.6902 6000.0 1037.6896 1500.0 1050.7057 9800.0 1051.7115 2800.0 END IONS BEGIN IONS SCANS=476 PEPMASS=1068.6802 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 4600.0 201.1231 1400.0 227.1754 6600.0 229.1177 2700.0 245.186 3400.0 294.1695 2000.0 312.1798 1700.0 326.2437 3000.0 328.1865 4500.0 338.1956 1900.0 342.202 3200.0 350.232 1800.0 360.2125 4600.0 368.2419 2200.0 395.2646 2900.0 407.2537 2500.0 414.2598 1200.0 423.2597 4000.0 425.2643 3100.0 441.2702 27000.0 442.274 2400.0 451.2795 1600.0 455.2857 5300.0 456.2885 1100.0 459.2803 4400.0 463.316 2900.0 469.2898 1300.0 473.2964 1100.0 481.3268 4000.0 499.3374 1400.0 508.348 4000.0 520.3379 2700.0 526.359 2600.0 536.3436 5400.0 538.3474 3300.0 554.3541 11000.0 564.3643 2100.0 566.4146 1400.0 568.3698 2500.0 568.5282 1200.0 572.3647 5800.0 576.3988 4500.0 582.3748 1200.0 586.3805 2400.0 592.3933 1000.0 594.4104 10000.0 596.3533 1100.0 610.4053 2800.0 619.4066 1000.0 628.4163 4700.0 637.4163 2800.0 639.4418 1100.0 651.4321 1200.0 653.3722 1100.0 657.4582 1500.0 663.433 1400.0 667.4379 14000.0 668.4417 2200.0 675.468 3900.0 681.4157 1600.0 685.4487 140000.0 686.4518 22000.0 687.4551 1700.0 691.425 1600.0 693.4792 9300.0 694.4808 1100.0 699.4273 1800.0 699.4638 3700.0 700.4676 5400.0 701.4711 1400.0 707.4953 2200.0 708.4982 2000.0 709.4374 4800.0 709.4736 1500.0 710.4395 1400.0 725.4335 1500.0 727.4853 2500.0 734.4328 1200.0 750.5002 1000.0 752.4431 1900.0 776.5153 1100.0 790.4944 2500.0 806.5601 2800.0 808.506 3400.0 822.5228 1800.0 824.501 1300.0 847.5184 1200.0 865.5276 1900.0 875.5854 2500.0 879.5428 1200.0 885.5678 1500.0 903.5796 6300.0 905.5571 1300.0 921.5897 9500.0 922.5391 1900.0 922.5914 1700.0 935.6027 2700.0 936.6091 2300.0 937.5818 3200.0 950.6196 1600.0 951.6007 1500.0 955.5945 3300.0 960.6013 1500.0 978.6111 5500.0 979.6149 1000.0 998.6501 1500.0 1004.6255 6500.0 1005.6304 1700.0 1006.6819 3600.0 1016.6633 16000.0 1017.6652 3200.0 1022.6345 6900.0 1023.646 1500.0 1031.6829 3400.0 1032.6514 2400.0 1034.6738 69000.0 1035.6766 14000.0 1040.6846 5700.0 1049.6931 14000.0 1050.671 9400.0 1051.6683 3800.0 1067.5988 2300.0 1067.7067 1600.0 1068.6791 45000.0 1069.6838 7900.0 END IONS BEGIN IONS SCANS=477 PEPMASS=1068.7167 CHARGE=1 COLLISION_ENERGY=0.0 86.0948 1100.0 86.0967 12000.0 87.0443 1400.0 89.0599 2200.0 102.0551 1400.0 115.0755 2500.0 117.0912 5700.0 133.0861 2400.0 146.1172 3800.0 168.1066 1000.0 175.1329 3000.0 177.1118 1600.0 199.1807 3800.0 201.123 1100.0 213.1595 1500.0 227.1751 19000.0 229.1181 4500.0 233.1747 1700.0 245.1855 1900.0 259.2012 6700.0 281.2225 1400.0 298.2488 1600.0 326.2432 15000.0 328.1859 18000.0 342.2014 3400.0 342.2635 1900.0 344.2535 3700.0 352.2477 4300.0 356.2177 1000.0 370.2582 37000.0 371.2617 2800.0 374.2279 8600.0 384.2737 1800.0 395.2646 3500.0 413.275 3400.0 423.2593 4200.0 441.2701 120000.0 442.2736 9000.0 455.2856 7400.0 455.3472 1700.0 459.2802 1700.0 465.3315 9500.0 469.3269 2100.0 473.2964 17000.0 483.3422 140000.0 484.3457 11000.0 497.3578 4200.0 508.349 2800.0 526.3588 5700.0 536.3432 3300.0 554.3539 21000.0 555.3572 2300.0 560.4042 1100.0 568.3703 3000.0 568.3936 1000.0 568.43 4600.0 572.3644 5100.0 578.4154 14000.0 579.4209 1400.0 582.4108 2000.0 586.3802 12000.0 596.4259 160000.0 597.4291 19000.0 610.4417 7200.0 611.4445 1000.0 649.4515 1000.0 665.4485 1700.0 667.4388 5200.0 667.4653 1100.0 667.4977 3900.0 677.4832 8500.0 678.4863 1300.0 681.4534 12000.0 682.4568 1400.0 685.4489 18000.0 686.4521 4000.0 695.4944 73000.0 696.4977 9500.0 699.4639 140000.0 700.4672 21000.0 709.5095 1800.0 711.4515 1100.0 764.5146 3600.0 792.5105 9300.0 810.5213 5400.0 824.537 1400.0 895.5722 1900.0 905.5955 2800.0 923.6053 11000.0 924.6082 2900.0 990.6472 1300.0 1008.6589 11000.0 1009.6597 2800.0 1010.6618 1100.0 1034.67 1800.0 1036.6879 1100.0 1050.7061 1300.0 1052.6851 1100.0 1068.5837 2000.0 END IONS BEGIN IONS SCANS=478 PEPMASS=1069.7126 CHARGE=1 COLLISION_ENERGY=0.0 87.0442 1900.0 89.0598 3100.0 99.0804 1400.0 115.0755 2100.0 117.0911 9000.0 124.0804 1500.0 133.0858 3300.0 168.1065 1600.0 175.1327 5700.0 177.1121 2200.0 227.1749 2000.0 233.1747 3800.0 245.1854 1300.0 324.2162 1400.0 328.1856 1500.0 360.2122 2100.0 423.2589 1900.0 437.3004 1800.0 441.2699 11000.0 442.2734 1600.0 455.2855 1700.0 455.3104 2700.0 459.2807 1300.0 473.322 1300.0 497.3572 1400.0 508.3488 1400.0 536.3441 1900.0 550.3844 4600.0 554.3541 4800.0 568.3942 9600.0 569.399 1300.0 572.364 2200.0 586.3804 1000.0 596.4255 1100.0 610.4411 1700.0 631.4416 1400.0 649.4525 3300.0 665.4111 1300.0 667.4377 5700.0 667.4633 8200.0 668.4675 1400.0 681.4784 1300.0 683.4209 3100.0 685.4485 74000.0 686.4518 16000.0 687.4545 3100.0 701.4434 1200.0 764.4807 3100.0 778.4949 1100.0 780.547 3100.0 782.4894 3700.0 796.5037 1000.0 849.5699 2700.0 859.5566 1100.0 877.5631 8000.0 878.5679 1800.0 891.5807 1400.0 895.5743 10000.0 896.5778 3200.0 909.5903 2300.0 972.6368 1200.0 980.6629 5900.0 981.6653 1600.0 990.6473 18000.0 991.6501 5300.0 1008.6578 97000.0 1009.6609 29000.0 1010.6635 6800.0 1011.6651 2500.0 1034.6742 3300.0 1051.6719 1100.0 1052.6832 4600.0 1053.6882 1400.0 1068.5931 2000.0 1069.5968 2300.0 END IONS BEGIN IONS SCANS=479 PEPMASS=1070.6412 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 7000.0 123.4086 1000.0 166.0531 16000.0 167.8799 1000.0 199.1804 1700.0 217.2494 1800.0 227.175 4700.0 229.1177 1200.0 254.7003 1000.0 261.1257 1000.0 265.1211 1000.0 279.1365 16000.0 289.1202 1500.0 326.2433 4600.0 328.1859 5000.0 342.2021 1800.0 352.248 8300.0 358.1411 1100.0 370.2579 2200.0 376.1529 8000.0 392.2208 1000.0 394.1632 17000.0 395.1661 1300.0 395.2644 4500.0 404.7508 1000.0 405.2773 5100.0 423.2592 5700.0 441.27 29000.0 442.2728 2600.0 447.3212 3100.0 448.2114 1100.0 455.2852 4200.0 457.212 1200.0 465.3313 13000.0 475.2215 9300.0 483.3412 7800.0 484.3459 1000.0 489.2974 2200.0 491.2892 2300.0 493.2318 13000.0 499.2827 1700.0 507.2498 1300.0 508.3486 4200.0 517.2933 21000.0 518.2955 1200.0 524.3057 1100.0 526.3592 5200.0 535.3034 9100.0 536.342 4600.0 550.4208 1000.0 552.3013 1100.0 554.3537 14000.0 555.3582 1100.0 560.4048 7300.0 561.2947 1300.0 566.3786 3800.0 578.4152 17000.0 588.3047 6000.0 596.4258 18000.0 597.4303 2200.0 598.3665 1100.0 602.3202 3200.0 602.3806 4500.0 604.3721 1200.0 606.3159 12000.0 612.366 3700.0 616.2975 1000.0 620.3309 6100.0 630.3771 36000.0 631.3795 4600.0 635.5427 1100.0 637.3898 4300.0 647.4032 1900.0 655.402 14000.0 659.4728 4200.0 663.3948 1400.0 677.4832 13000.0 678.4858 2300.0 679.4641 1300.0 681.4063 2300.0 683.3779 1600.0 685.4477 2000.0 686.4502 5200.0 687.4533 1500.0 695.4937 17000.0 696.4947 2000.0 698.4385 1200.0 699.3975 1800.0 701.3888 25000.0 702.3915 2000.0 715.4652 2900.0 717.4064 2300.0 719.3993 290000.0 720.4026 32000.0 725.4519 2300.0 727.394 7800.0 743.4612 13000.0 744.4605 1700.0 745.4036 27000.0 746.4077 3400.0 755.3898 1200.0 760.4877 1400.0 771.4576 1000.0 774.4989 3300.0 792.5107 4900.0 794.4874 1200.0 798.4645 1100.0 799.4504 4900.0 810.5212 3700.0 811.5226 1800.0 812.4805 2000.0 813.4656 1400.0 814.5353 2400.0 824.5148 4000.0 826.4606 3900.0 828.5483 1100.0 840.4778 6900.0 842.5287 27000.0 843.5328 3000.0 844.472 8800.0 845.4753 2500.0 854.4569 1000.0 856.543 5300.0 858.4888 9600.0 859.4945 1100.0 875.5464 3000.0 893.5495 1500.0 905.5946 5700.0 907.5745 2000.0 910.5936 1800.0 911.5502 13000.0 912.5328 6200.0 913.5363 1300.0 921.5363 3200.0 923.6049 9300.0 924.5477 1100.0 929.5568 1300.0 939.5452 26000.0 940.5533 5100.0 943.576 2300.0 953.5603 8100.0 954.5602 1200.0 955.6154 2800.0 957.5558 30000.0 958.559 5100.0 967.5403 2300.0 970.6219 1000.0 971.5713 24000.0 972.5766 4300.0 978.6473 4100.0 988.6313 11000.0 989.6342 1600.0 1006.6419 45000.0 1007.6475 8700.0 1024.6343 7400.0 1025.6208 6700.0 1034.62 5000.0 1035.6224 1300.0 1042.6454 42000.0 1043.6487 10000.0 1052.6296 67000.0 1053.6327 14000.0 1069.6825 2500.0 1070.64 430000.0 1071.6432 110000.0 END IONS BEGIN IONS SCANS=480 PEPMASS=1070.6415 CHARGE=1 COLLISION_ENERGY=0.0 74.4523 1500.0 75.0307 1400.0 76.3898 1400.0 76.7672 1800.0 77.8073 1400.0 79.0758 1500.0 79.3487 1400.0 84.0447 1600.0 85.7692 1800.0 85.9849 1600.0 86.0965 7600.0 87.1991 1600.0 89.0598 1800.0 90.3399 1600.0 90.4813 1800.0 91.5062 3600.0 97.7764 1400.0 101.5727 1700.0 104.9105 1700.0 107.2848 1800.0 113.6221 1800.0 114.7167 1500.0 117.0907 2200.0 125.414 1600.0 126.2933 1800.0 132.564 1900.0 134.577 1700.0 136.7919 1600.0 138.1904 1700.0 141.8681 1800.0 142.5207 1700.0 144.8097 1500.0 145.4713 1800.0 149.6429 1700.0 152.7465 1600.0 162.8557 1700.0 166.0528 4000.0 178.656 1800.0 180.1014 4900.0 183.1122 1900.0 196.8264 1600.0 217.2493 2700.0 219.1161 4700.0 222.3714 1700.0 226.2732 1600.0 227.1745 3100.0 229.1177 5600.0 244.0994 5600.0 245.1857 9300.0 246.3099 2000.0 247.1103 7000.0 261.1263 37000.0 265.1211 3100.0 265.6914 1800.0 279.1364 2700.0 325.0555 1900.0 328.1867 5000.0 332.1989 5300.0 332.9661 1900.0 342.2017 4400.0 352.2475 20000.0 353.2507 1700.0 357.4861 1700.0 358.1941 1600.0 360.1947 37000.0 360.2125 6300.0 361.1987 2200.0 362.1372 27000.0 370.258 7400.0 371.326 2400.0 372.1582 2900.0 372.8328 1900.0 375.6296 1700.0 378.206 3600.0 388.6548 1800.0 406.5131 1900.0 411.2228 8700.0 414.2597 4800.0 429.2158 4700.0 441.2698 8200.0 447.2266 4000.0 447.3209 5900.0 455.347 2200.0 457.2111 19000.0 459.281 14000.0 465.3319 19000.0 475.2215 160000.0 476.2245 14000.0 478.3036 2000.0 481.2718 1800.0 483.3425 22000.0 484.3447 3100.0 489.2381 8100.0 491.2914 2800.0 499.2835 3200.0 501.3525 3700.0 502.3637 2400.0 505.3038 1900.0 512.4473 1700.0 517.2939 5400.0 524.307 14000.0 530.3546 1900.0 541.231 1900.0 542.3 15000.0 543.2836 3500.0 548.3702 2200.0 558.1281 1800.0 559.2431 4700.0 560.3109 17000.0 568.4303 6000.0 570.2953 11000.0 578.4158 3600.0 586.1795 2000.0 586.2525 7000.0 588.3053 63000.0 589.3087 6100.0 594.3563 21000.0 596.4262 31000.0 597.4289 4900.0 598.3694 8400.0 599.4373 2200.0 602.3211 4400.0 606.3156 34000.0 607.3185 2900.0 612.3668 36000.0 620.332 9800.0 630.3776 43000.0 631.3827 2800.0 637.3901 15000.0 638.3928 4000.0 647.4359 3300.0 655.403 38000.0 656.4041 4600.0 664.4359 1900.0 665.4468 6700.0 672.326 2900.0 673.3937 5200.0 674.9487 1800.0 683.3797 6600.0 683.4318 8400.0 684.4355 3400.0 686.4521 2600.0 693.4212 5100.0 693.4438 5700.0 695.4957 1800.0 696.4964 2200.0 699.3374 2100.0 701.3896 68000.0 702.3929 11000.0 709.5096 5100.0 711.4333 9000.0 711.4537 16000.0 719.3999 600000.0 720.4033 73000.0 729.4458 35000.0 730.4482 4800.0 737.5033 3500.0 743.4611 5200.0 745.4053 2600.0 746.4993 2500.0 764.2429 1800.0 765.5004 8900.0 776.293 1800.0 780.4769 3100.0 782.5249 2000.0 792.5117 3000.0 798.4677 2300.0 806.527 2700.0 808.4517 11000.0 810.5206 9000.0 811.522 2400.0 814.5356 4000.0 824.5386 10000.0 826.4612 26000.0 827.4673 3500.0 840.4793 3800.0 842.5291 24000.0 843.5339 4300.0 844.4724 36000.0 845.4745 8100.0 856.5441 4500.0 857.5365 2100.0 858.4875 3500.0 873.9633 1900.0 875.5493 7500.0 878.5837 7400.0 893.5615 10000.0 907.5743 2400.0 911.552 15000.0 912.554 2500.0 921.5349 7800.0 923.6035 2800.0 929.563 4600.0 939.5463 39000.0 940.5504 7600.0 953.5608 7100.0 955.6138 3800.0 957.5566 100000.0 958.5616 15000.0 960.633 3700.0 970.6179 2900.0 971.5736 25000.0 972.5761 4700.0 978.6511 8900.0 988.6315 24000.0 989.6361 5500.0 1006.642 140000.0 1007.6468 30000.0 1012.1299 2400.0 1012.9695 2700.0 1024.6357 7800.0 1025.6224 9000.0 1034.6233 8600.0 1035.624 3400.0 1042.6462 72000.0 1043.6495 18000.0 1052.6305 110000.0 1053.6327 27000.0 1070.6412 560000.0 1071.644 130000.0 END IONS BEGIN IONS SCANS=481 PEPMASS=1070.6414 CHARGE=1 COLLISION_ENERGY=0.0 75.1733 2300.0 79.6618 2800.0 86.0965 9000.0 89.06 2700.0 91.2617 2700.0 97.0313 2700.0 112.6858 2700.0 117.0907 4200.0 133.0855 2600.0 133.8125 2600.0 146.8781 2700.0 151.635 2800.0 153.3094 2700.0 161.935 3100.0 162.1349 3100.0 175.1324 3300.0 184.3783 2500.0 191.3635 3000.0 192.2042 2900.0 201.1228 4200.0 229.1177 12000.0 231.9923 2700.0 233.131 11000.0 243.7016 2800.0 245.1851 7700.0 259.0747 3100.0 261.126 66000.0 268.1653 3500.0 277.084 10000.0 278.153 4700.0 283.1644 3100.0 290.3468 2700.0 296.1958 8800.0 328.1864 9800.0 332.1996 25000.0 342.2012 5800.0 352.2473 36000.0 355.1842 2700.0 360.1945 120000.0 360.2112 19000.0 361.1982 4000.0 370.2576 9700.0 371.3256 4400.0 373.0909 3000.0 376.1523 4300.0 378.2051 11000.0 381.5484 2800.0 383.1917 10000.0 395.2661 3900.0 411.2229 11000.0 414.2603 3700.0 416.2207 5400.0 429.2163 16000.0 441.2698 15000.0 444.2155 8000.0 455.3473 4400.0 457.21 23000.0 458.1953 3400.0 459.2799 18000.0 475.2215 190000.0 476.2254 12000.0 476.2644 3400.0 477.266 2900.0 481.2723 32000.0 483.342 7900.0 489.2371 9900.0 491.2899 4500.0 496.2751 9100.0 496.3127 3600.0 499.2825 84000.0 500.2857 8500.0 501.3532 5400.0 506.2964 3700.0 507.2475 3900.0 508.3489 3500.0 517.2935 81000.0 518.2953 3800.0 524.3068 21000.0 542.2995 11000.0 543.284 5400.0 554.3535 14000.0 555.3577 3800.0 559.2433 7300.0 560.3103 17000.0 566.379 5700.0 568.4302 4000.0 570.2944 27000.0 571.2993 4100.0 572.3636 13000.0 580.3573 4300.0 584.3718 6700.0 586.2535 9800.0 588.3052 92000.0 589.3085 7500.0 594.3561 26000.0 596.4252 21000.0 598.368 12000.0 599.4371 5100.0 602.3201 5400.0 602.3829 9300.0 606.3153 12000.0 612.3663 80000.0 613.3691 11000.0 620.3316 8500.0 630.3772 120000.0 631.3798 16000.0 637.3917 25000.0 655.4024 48000.0 656.4052 4300.0 661.4164 3100.0 665.4484 13000.0 673.3943 8800.0 676.2261 2900.0 679.4236 3100.0 683.3785 12000.0 683.4567 5900.0 693.4207 25000.0 701.3889 110000.0 701.4475 5600.0 702.3931 16000.0 711.4352 62000.0 711.4561 15000.0 712.4597 3800.0 719.3995 730000.0 720.4029 88000.0 727.3954 5000.0 729.4454 150000.0 730.4496 23000.0 743.4615 15000.0 744.4581 4500.0 745.4043 4200.0 755.363 2800.0 760.4891 6600.0 765.4992 11000.0 767.4293 3300.0 778.5316 7800.0 798.4675 11000.0 808.4513 20000.0 810.5215 9600.0 814.5349 9100.0 822.4681 3500.0 824.5189 9400.0 826.4616 55000.0 827.4645 8000.0 840.4776 15000.0 841.481 3900.0 842.5293 69000.0 843.5319 13000.0 844.4723 62000.0 845.4745 12000.0 852.5148 8000.0 858.489 19000.0 866.5303 4200.0 875.5499 13000.0 878.5847 4000.0 893.5593 13000.0 905.3488 3600.0 905.5941 8400.0 907.5692 3700.0 908.5797 3100.0 910.5927 5500.0 911.5518 25000.0 912.5421 5900.0 921.5345 10000.0 922.5337 4500.0 923.6042 5300.0 937.6078 3700.0 939.5457 89000.0 940.5521 13000.0 943.5786 9600.0 946.4305 3000.0 953.5607 18000.0 955.6146 9300.0 957.5563 150000.0 958.558 33000.0 960.64 4700.0 965.5952 4700.0 971.5718 36000.0 972.5724 5700.0 978.6469 13000.0 983.608 3700.0 988.6306 50000.0 989.6353 6300.0 1006.6423 210000.0 1007.6465 42000.0 1024.635 20000.0 1025.6229 11000.0 1026.6128 5900.0 1034.6188 23000.0 1042.6458 130000.0 1043.6482 22000.0 1052.6299 220000.0 1053.6335 55000.0 1070.6406 850000.0 1071.6436 180000.0 END IONS BEGIN IONS SCANS=482 PEPMASS=1070.6425 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2000.0 87.0442 4200.0 89.0598 6200.0 91.5083 1000.0 99.0805 2800.0 101.096 1400.0 115.0755 3400.0 117.0911 14000.0 131.0879 1000.0 133.0859 6500.0 157.122 1600.0 168.1066 1300.0 173.117 1100.0 175.1328 8300.0 177.112 3700.0 221.1382 1000.0 227.1749 1300.0 233.1745 4300.0 261.1264 2300.0 279.136 1000.0 291.2155 1300.0 342.2019 1900.0 352.2473 2500.0 360.1942 2600.0 360.2126 1400.0 362.1373 2800.0 394.1639 1500.0 441.2705 2400.0 455.2859 2900.0 456.2886 3700.0 457.2101 1500.0 459.28 2200.0 465.3316 1800.0 474.2991 1200.0 475.2214 14000.0 483.3405 2100.0 489.2366 1200.0 493.2322 1300.0 524.3075 1800.0 551.389 1100.0 552.3903 1300.0 568.3709 1000.0 568.3948 1800.0 569.3732 1700.0 569.3988 4100.0 570.2947 1100.0 570.3745 1400.0 570.4008 2300.0 578.416 1400.0 587.384 1000.0 588.3047 6000.0 594.3561 1700.0 596.4254 4000.0 606.3168 2300.0 612.3661 3700.0 620.3326 1500.0 630.3771 4400.0 637.3925 2400.0 655.4027 3300.0 669.4692 1100.0 682.456 1800.0 682.4822 1600.0 683.4594 1200.0 683.4856 1900.0 685.4496 2200.0 686.4529 2500.0 687.4555 2100.0 695.4969 1200.0 699.4653 7600.0 700.4677 19000.0 701.3895 7700.0 701.4698 21000.0 702.3934 1200.0 702.4731 5100.0 703.4049 1400.0 711.452 1700.0 719.3999 66000.0 720.4025 8200.0 729.4448 2800.0 745.4041 1800.0 780.5004 1600.0 796.5698 1200.0 797.5115 1400.0 798.5115 3300.0 826.4616 2100.0 842.5289 2800.0 844.4745 3700.0 865.5893 1100.0 893.5877 2100.0 894.5891 1100.0 910.5939 2000.0 911.5502 1700.0 911.5955 5400.0 912.5961 1800.0 939.5463 5200.0 957.5564 7800.0 958.5583 1700.0 971.5726 3000.0 979.6559 1400.0 988.6309 3700.0 992.6556 1000.0 996.6857 4300.0 997.687 2000.0 1005.6636 1300.0 1006.6436 13000.0 1007.6453 3600.0 1022.6724 1400.0 1023.6767 4800.0 1024.6802 48000.0 1025.6827 21000.0 1026.6835 1300.0 1042.6464 5500.0 1043.6475 1300.0 1052.6305 14000.0 1053.6346 3200.0 1070.6411 66000.0 1071.6436 14000.0 END IONS BEGIN IONS SCANS=483 PEPMASS=1070.6422 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2500.0 87.0445 3200.0 89.06 3400.0 91.5081 1500.0 99.0808 1700.0 115.0755 4400.0 117.0912 12000.0 133.0858 5100.0 146.094 1800.0 168.1072 1600.0 175.1148 1000.0 175.1327 5400.0 177.1123 3000.0 197.1283 1100.0 221.1389 1400.0 227.1752 2500.0 229.1186 2000.0 233.1744 3800.0 245.1859 2700.0 261.126 4300.0 291.2162 1400.0 326.2438 1000.0 328.1859 2400.0 332.2004 2200.0 338.2325 1700.0 339.2365 1600.0 342.2023 2400.0 352.2479 2400.0 356.2422 1200.0 360.1948 7800.0 360.2119 3800.0 361.2162 1700.0 396.2687 1100.0 413.2752 1100.0 423.2594 1200.0 441.2702 9800.0 442.274 8400.0 443.2761 3700.0 451.3168 2200.0 452.3197 2600.0 453.3232 1500.0 454.2548 1800.0 455.2868 1200.0 457.2129 1800.0 459.2814 2900.0 469.3268 3300.0 470.3298 3600.0 471.3326 3200.0 475.2214 16000.0 481.2727 3000.0 488.3414 1000.0 499.2831 7600.0 508.3486 1400.0 509.3528 1600.0 517.2935 6400.0 524.3087 1900.0 527.3646 1200.0 536.3458 1700.0 537.3478 1800.0 538.3506 1100.0 547.3931 1300.0 554.3539 5200.0 555.3571 4500.0 556.3611 3300.0 560.3113 1400.0 564.4 2300.0 565.4039 3900.0 566.4074 1500.0 570.2952 2600.0 572.365 2200.0 573.3693 2800.0 574.3711 1400.0 582.4099 4800.0 583.4138 10000.0 584.4163 8100.0 588.3055 5000.0 589.3102 1300.0 594.3552 3100.0 596.428 1700.0 598.3691 1600.0 599.4381 1700.0 600.441 1100.0 606.3153 1100.0 612.367 6600.0 630.3771 9000.0 631.3809 1100.0 637.3917 1400.0 655.4025 4100.0 663.4689 1300.0 664.4715 3800.0 665.4755 3400.0 667.4382 2400.0 668.4414 4800.0 669.4442 5200.0 670.4476 1500.0 680.4301 1100.0 681.4353 1300.0 681.4765 2900.0 682.482 8700.0 683.4849 8300.0 684.4874 1800.0 685.449 26000.0 686.4518 58000.0 687.4545 59000.0 688.4571 14000.0 693.4221 2300.0 696.4964 1500.0 697.4379 1700.0 697.5012 1400.0 698.4414 3200.0 699.4432 3400.0 701.389 10000.0 702.3917 1100.0 703.4053 2000.0 711.4355 4200.0 711.4576 1400.0 719.3998 57000.0 720.4033 7500.0 729.4453 11000.0 730.4501 1400.0 743.4611 1500.0 779.4999 2200.0 780.5013 2600.0 793.5151 1000.0 795.5674 2000.0 796.5696 3700.0 797.5106 3100.0 798.5114 4800.0 799.5152 1100.0 808.4513 1500.0 810.5233 1500.0 811.5258 1100.0 812.5276 1800.0 826.463 2900.0 842.5272 4600.0 844.472 4800.0 858.486 1000.0 864.5887 1100.0 865.5888 2900.0 866.5832 1100.0 892.5827 1600.0 893.5876 6900.0 894.5883 2300.0 907.6001 1400.0 909.587 1100.0 910.5932 6100.0 911.5493 1600.0 911.5954 13000.0 912.5985 4200.0 921.5364 1400.0 924.6085 1200.0 925.6112 3400.0 926.614 1100.0 939.5457 5500.0 953.5634 1200.0 957.5571 13000.0 958.5598 2800.0 971.571 2400.0 978.6793 1000.0 979.6603 2000.0 988.6268 3300.0 995.6812 1200.0 996.6854 9600.0 997.6888 3500.0 1005.6694 2500.0 1006.6699 16000.0 1007.677 8000.0 1022.6733 6300.0 1023.6771 17000.0 1024.6801 120000.0 1025.6825 53000.0 1026.6851 2800.0 1034.6179 1100.0 1042.6448 9200.0 1043.6473 1400.0 1052.6304 18000.0 1053.6338 3200.0 1054.6451 2000.0 1070.6405 70000.0 1071.6439 16000.0 END IONS BEGIN IONS SCANS=484 PEPMASS=1070.6727 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 14000.0 87.0441 2800.0 89.0597 4100.0 99.0805 1600.0 115.0754 2600.0 117.0911 12000.0 133.0858 4300.0 157.1221 1100.0 168.1068 1600.0 173.1166 1000.0 175.1325 5800.0 177.1116 2000.0 190.1194 1300.0 199.1805 3500.0 201.1234 2600.0 213.1591 2100.0 221.138 1200.0 227.1752 18000.0 228.1782 2600.0 229.1183 7100.0 233.1745 4500.0 243.1332 1200.0 245.1857 7700.0 259.2008 1900.0 281.2217 1500.0 283.1646 1100.0 296.196 1200.0 298.249 1100.0 311.1967 1100.0 326.243 9300.0 327.2463 2200.0 328.1861 15000.0 329.1893 2500.0 342.202 8200.0 344.2541 1800.0 352.2477 2100.0 360.2123 9400.0 370.258 9100.0 371.2621 5200.0 374.2279 1600.0 375.2303 1000.0 386.2319 13000.0 395.2647 5600.0 396.2485 1500.0 396.2678 1300.0 404.2423 7200.0 405.3106 2300.0 413.2754 3500.0 414.2586 1700.0 423.2592 10000.0 424.2624 1200.0 437.2742 1600.0 440.2384 1500.0 441.2701 76000.0 442.2736 20000.0 443.2764 2700.0 455.2855 8000.0 455.3476 1200.0 456.2896 1800.0 457.3377 2400.0 459.2804 9300.0 465.3313 1600.0 466.3358 2000.0 469.2652 1100.0 473.2964 5000.0 474.2995 2300.0 481.3054 2600.0 483.3421 25000.0 484.3454 24000.0 485.3478 4600.0 489.3315 1700.0 497.3587 1500.0 498.3606 2400.0 499.316 18000.0 508.3488 7800.0 509.333 1900.0 509.3522 1400.0 517.3266 26000.0 518.329 2500.0 519.2687 1600.0 525.291 2100.0 525.3281 1100.0 526.3587 6800.0 527.3433 1000.0 527.3632 1600.0 535.3365 3700.0 536.3428 7400.0 537.3469 1400.0 550.3826 1000.0 552.3032 1200.0 553.3212 1500.0 554.3537 27000.0 555.3572 5900.0 568.3699 3100.0 570.4204 1100.0 572.3641 13000.0 573.3671 2200.0 578.4158 1800.0 579.42 2600.0 584.4037 1100.0 586.3475 1500.0 586.3795 8000.0 587.3843 2800.0 594.3892 5800.0 596.4254 20000.0 597.4294 34000.0 598.4328 11000.0 602.415 2600.0 610.4422 1500.0 611.4453 2600.0 612.3997 19000.0 613.4031 2000.0 614.3433 1700.0 621.4343 1600.0 630.4102 45000.0 631.4141 6200.0 632.353 3500.0 633.4223 1300.0 639.4422 2700.0 649.4265 2100.0 667.4376 23000.0 667.4619 1300.0 668.441 3800.0 678.4868 1500.0 681.4522 1300.0 682.4571 2800.0 685.4483 220000.0 686.4515 35000.0 687.4551 1900.0 693.4567 3900.0 694.4606 1400.0 695.4941 7800.0 696.4973 14000.0 697.5012 5700.0 699.4319 2600.0 699.4648 14000.0 700.467 32000.0 701.4412 1700.0 701.4688 9000.0 702.4453 1500.0 710.5139 1000.0 711.4683 12000.0 712.4706 1600.0 713.4122 1400.0 715.4988 1000.0 717.4422 1600.0 719.4001 1700.0 725.483 1400.0 727.4259 6000.0 729.4781 29000.0 730.481 4900.0 731.4224 1700.0 733.4134 1400.0 743.4941 5300.0 745.437 15000.0 746.4393 1800.0 793.514 1800.0 798.501 2000.0 799.4838 4100.0 808.4845 2900.0 811.5234 1300.0 812.518 1700.0 814.5658 1200.0 824.5526 2800.0 826.4944 9200.0 827.4982 1200.0 840.5114 3200.0 842.5622 13000.0 843.5668 2500.0 844.5053 11000.0 845.5092 2000.0 856.5781 1400.0 858.5203 5400.0 866.562 1000.0 893.5729 1400.0 894.5551 1000.0 895.5756 1600.0 911.5839 7100.0 912.566 4300.0 921.5665 2300.0 924.6072 3200.0 925.6111 1200.0 929.5941 1300.0 939.5785 15000.0 940.5815 2900.0 943.6099 1000.0 953.5945 3300.0 955.6484 2400.0 957.5895 28000.0 958.5932 5500.0 971.6051 10000.0 972.61 2200.0 981.6663 1400.0 990.6445 1800.0 991.6513 2100.0 1008.657 9200.0 1009.6608 12000.0 1010.6641 1100.0 1024.6692 3500.0 1025.6516 4600.0 1034.6569 2500.0 1035.6769 2400.0 1042.6781 22000.0 1043.684 3600.0 1052.6621 36000.0 1053.6696 6700.0 1070.674 140000.0 1071.6768 36000.0 END IONS BEGIN IONS SCANS=485 PEPMASS=1074.6465 CHARGE=1 COLLISION_ENERGY=0.0 1074.6453 75000.0 1075.6486 16000.0 END IONS BEGIN IONS SCANS=486 PEPMASS=1074.6459 CHARGE=1 COLLISION_ENERGY=0.0 1074.6453 75000.0 1075.6486 16000.0 END IONS BEGIN IONS SCANS=487 PEPMASS=1076.5944 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 87.0444 2100.0 89.06 3100.0 99.0809 1500.0 112.0873 1100.0 115.0756 2400.0 117.0911 8900.0 133.086 3900.0 175.1327 5300.0 177.1122 1600.0 233.1747 2700.0 716.4058 1100.0 832.4163 2000.0 850.4258 2200.0 906.4279 1300.0 927.4879 1700.0 935.5131 1200.0 945.4982 3300.0 989.5437 1200.0 1014.5936 1300.0 1017.5771 1200.0 1032.5308 2000.0 1033.5333 2400.0 1040.5732 6800.0 1057.5825 3400.0 1058.5835 49000.0 1059.5863 8900.0 1075.5963 8900.0 1076.5939 100000.0 1077.5967 24000.0 END IONS BEGIN IONS SCANS=488 PEPMASS=1076.5917 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 87.0444 1600.0 89.0602 2000.0 115.0755 2000.0 117.091 5800.0 133.0858 2300.0 168.1071 1200.0 173.1175 1300.0 175.1327 2900.0 177.1122 1600.0 190.12 1000.0 233.1749 2100.0 594.2576 1100.0 716.404 1400.0 734.4139 1700.0 739.3679 1400.0 793.3299 1300.0 832.4151 1800.0 850.4242 1300.0 874.3992 1600.0 892.4106 1300.0 894.3881 1000.0 917.5015 1100.0 927.4875 1700.0 935.5149 1600.0 945.4974 2800.0 963.5067 1200.0 988.5402 1300.0 989.5438 1400.0 1014.5923 1200.0 1015.5238 1500.0 1017.5735 1400.0 1032.532 3200.0 1033.5315 3100.0 1040.5714 13000.0 1041.5776 2300.0 1048.599 1400.0 1057.5857 3300.0 1058.5825 61000.0 1059.5861 14000.0 1075.595 8800.0 1076.5929 150000.0 1077.5962 32000.0 END IONS BEGIN IONS SCANS=489 PEPMASS=1076.594 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 89.0601 3300.0 115.0756 2400.0 117.0911 6100.0 133.0861 3000.0 175.1328 4400.0 177.1122 1000.0 190.12 1000.0 233.1747 2700.0 734.4146 1100.0 832.4153 1400.0 927.4875 1200.0 945.4981 1200.0 1014.5927 1100.0 1032.5316 1400.0 1033.532 2100.0 1040.5715 5400.0 1041.5747 1300.0 1057.5868 1600.0 1058.5829 31000.0 1059.5857 5900.0 1075.5931 5300.0 1075.6495 2900.0 1076.5934 72000.0 1077.5962 13000.0 END IONS BEGIN IONS SCANS=490 PEPMASS=1076.5942 CHARGE=1 COLLISION_ENERGY=0.0 85.0766 1600.0 89.0601 3300.0 115.0756 2400.0 117.0911 6100.0 133.0861 3000.0 175.1328 4400.0 177.1122 1000.0 190.12 1000.0 233.1747 2700.0 734.4146 1100.0 832.4153 1400.0 927.4875 1200.0 945.4981 1200.0 1014.5927 1100.0 1032.5316 1400.0 1033.532 2100.0 1040.5715 5400.0 1041.5747 1300.0 1057.5868 1600.0 1058.5829 31000.0 1059.5857 5900.0 1075.5931 5300.0 1075.6495 2900.0 1076.5934 72000.0 1077.5962 13000.0 END IONS BEGIN IONS SCANS=491 PEPMASS=1079.732 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 2100.0 117.0907 1300.0 227.1755 3200.0 229.1181 1000.0 245.185 1500.0 326.243 1800.0 328.1865 2100.0 338.2319 2400.0 342.2015 1700.0 356.2421 1600.0 360.2125 3000.0 395.2652 1000.0 423.2597 2000.0 441.2701 16000.0 451.3163 4400.0 455.2856 2100.0 459.281 1700.0 469.3266 6700.0 487.337 1900.0 508.3484 2200.0 526.3594 1500.0 536.3435 3700.0 546.3886 2300.0 554.3544 8000.0 554.4146 1100.0 564.3999 6500.0 572.3655 3600.0 582.4109 17000.0 583.4146 1800.0 584.3533 1600.0 586.3813 1200.0 645.4589 2600.0 663.4681 6800.0 664.4721 1400.0 667.4377 9100.0 668.4401 1300.0 679.4263 2000.0 681.4788 12000.0 682.4816 1900.0 685.4485 110000.0 686.4514 12000.0 695.4937 1800.0 697.4373 6000.0 751.4839 1400.0 778.4948 5100.0 792.5099 1400.0 794.563 5400.0 796.5067 6700.0 810.5197 2400.0 863.5837 4700.0 873.5653 1700.0 891.5797 7800.0 892.5834 1500.0 905.5936 1300.0 909.59 16000.0 910.5929 3000.0 923.605 5300.0 976.6694 1500.0 977.6516 1700.0 986.652 1300.0 994.6772 9000.0 995.6838 1800.0 1004.6636 26000.0 1005.666 4600.0 1022.674 140000.0 1023.6776 22000.0 1042.5742 1500.0 1060.5862 5000.0 1061.5894 6700.0 1062.5878 1200.0 1078.5975 11000.0 1078.7179 1400.0 1079.5995 11000.0 1079.7181 1700.0 1080.5916 3500.0 END IONS BEGIN IONS SCANS=492 PEPMASS=1079.7329 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1000.0 117.0911 2200.0 227.1747 1800.0 233.1744 1200.0 326.2437 1800.0 328.1865 2200.0 338.232 2700.0 342.2015 1300.0 356.2418 1300.0 360.2122 1700.0 395.2648 1200.0 423.2588 2600.0 441.2701 13000.0 451.3159 4000.0 455.2858 1600.0 459.2809 3200.0 469.327 6100.0 487.3377 1100.0 508.3485 2200.0 526.3584 1500.0 536.3426 3400.0 546.389 1300.0 554.3542 9200.0 564.4003 6400.0 572.3648 3300.0 582.4106 15000.0 583.4134 1600.0 584.3547 1100.0 645.4571 1400.0 663.4682 6400.0 667.4384 7500.0 679.4278 1900.0 681.4792 12000.0 682.4808 1700.0 685.4487 92000.0 686.4517 10000.0 695.4952 1800.0 697.4376 4000.0 760.4863 1100.0 778.4956 3200.0 792.51 1800.0 794.5618 3300.0 796.5064 4600.0 810.521 2400.0 863.5849 4200.0 891.5799 7200.0 892.5833 1100.0 905.5965 1300.0 909.59 15000.0 910.5917 2900.0 923.6043 3600.0 986.6547 1500.0 994.6789 7200.0 995.6819 1400.0 1004.6636 21000.0 1005.6644 4300.0 1022.674 110000.0 1023.6769 21000.0 1043.5836 1000.0 1060.5865 3300.0 1061.5903 4100.0 1062.5833 1000.0 1078.5967 5800.0 1078.7167 1500.0 1079.5988 9100.0 1079.7233 1000.0 1080.5948 2100.0 END IONS BEGIN IONS SCANS=493 PEPMASS=1081.752 CHARGE=1 COLLISION_ENERGY=0.0 326.2441 1300.0 352.2483 1100.0 441.2702 9200.0 459.2808 1200.0 483.3423 2300.0 508.3491 1800.0 536.3436 2500.0 554.3541 4600.0 572.3651 1500.0 578.4159 3000.0 596.4259 6600.0 597.4293 1200.0 667.4379 5700.0 671.4325 6300.0 672.436 1300.0 677.4835 1800.0 685.4487 50000.0 686.4518 6500.0 695.4945 5600.0 709.5115 1800.0 711.4521 3200.0 792.5103 1800.0 806.5266 1200.0 808.5778 3100.0 810.5201 2800.0 824.538 1200.0 877.6008 1600.0 905.5941 3400.0 923.605 8700.0 924.6079 2200.0 937.6219 2500.0 1008.6948 6000.0 1009.6965 1400.0 1018.6785 12000.0 1019.682 3200.0 1036.6893 72000.0 1037.6925 16000.0 END IONS BEGIN IONS SCANS=494 PEPMASS=1081.7506 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 1064.7207 15000.0 1065.7234 3000.0 END IONS BEGIN IONS SCANS=495 PEPMASS=1081.7515 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 1064.7207 15000.0 1065.7234 3000.0 END IONS BEGIN IONS SCANS=496 PEPMASS=1081.7508 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 1064.7207 15000.0 1065.7234 3000.0 END IONS BEGIN IONS SCANS=497 PEPMASS=1081.7494 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 1064.7207 15000.0 1065.7234 3000.0 END IONS BEGIN IONS SCANS=498 PEPMASS=1081.7493 CHARGE=1 COLLISION_ENERGY=0.0 423.2597 1400.0 441.2705 5500.0 483.3419 1500.0 511.3729 1200.0 554.3539 3300.0 572.3647 1300.0 578.415 1200.0 596.4254 3100.0 624.457 1800.0 667.4376 4100.0 685.4485 33000.0 686.4516 4100.0 695.4937 2500.0 723.5238 1200.0 905.5919 1300.0 923.6065 2600.0 951.6338 2500.0 1008.6905 1800.0 1018.6784 4300.0 1036.689 24000.0 1037.6931 5700.0 1046.7086 2500.0 1050.7042 1300.0 1064.7207 15000.0 1065.7234 3000.0 END IONS BEGIN IONS SCANS=499 PEPMASS=1081.7491 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1200.0 227.175 1300.0 328.1858 1300.0 342.2014 1100.0 352.2473 1100.0 441.2703 7800.0 459.2806 1300.0 465.3316 1800.0 483.3425 2700.0 508.3486 1500.0 536.3431 1600.0 554.3534 4200.0 572.3639 1800.0 578.4158 2700.0 586.3813 1300.0 596.4256 9000.0 667.4367 5300.0 668.4385 1000.0 671.4329 1500.0 677.4826 2500.0 685.4482 62000.0 686.4509 7900.0 695.4943 6400.0 711.4561 2000.0 723.5267 1200.0 792.5094 1100.0 808.5771 2500.0 810.5216 2500.0 877.5986 1800.0 905.5946 3900.0 923.6052 8800.0 924.6058 1100.0 937.621 2600.0 1008.6933 4500.0 1018.6791 13000.0 1019.681 3100.0 1036.689 66000.0 1037.692 15000.0 1046.7091 1200.0 1064.7201 6200.0 1065.726 2100.0 END IONS BEGIN IONS SCANS=500 PEPMASS=1081.7513 CHARGE=1 COLLISION_ENERGY=0.0 91.5062 1200.0 227.175 1300.0 328.1858 1300.0 342.2014 1100.0 352.2473 1100.0 441.2703 7800.0 459.2806 1300.0 465.3316 1800.0 483.3425 2700.0 508.3486 1500.0 536.3431 1600.0 554.3534 4200.0 572.3639 1800.0 578.4158 2700.0 586.3813 1300.0 596.4256 9000.0 667.4367 5300.0 668.4385 1000.0 671.4329 1500.0 677.4826 2500.0 685.4482 62000.0 686.4509 7900.0 695.4943 6400.0 711.4561 2000.0 723.5267 1200.0 792.5094 1100.0 808.5771 2500.0 810.5216 2500.0 877.5986 1800.0 905.5946 3900.0 923.6052 8800.0 924.6058 1100.0 937.621 2600.0 1008.6933 4500.0 1018.6791 13000.0 1019.681 3100.0 1036.689 66000.0 1037.692 15000.0 1046.7091 1200.0 1064.7201 6200.0 1065.726 2100.0 END IONS BEGIN IONS SCANS=501 PEPMASS=1082.5673 CHARGE=1 COLLISION_ENERGY=0.0 217.1331 2000.0 245.1282 3100.0 263.1385 2800.0 337.223 3900.0 360.1904 2300.0 365.2179 13000.0 399.2021 1900.0 422.2387 1700.0 479.2639 1200.0 507.2601 2000.0 576.313 90000.0 577.3168 8700.0 604.3128 2700.0 609.3385 4900.0 661.3335 3000.0 723.3802 3100.0 820.434 46000.0 821.4371 7700.0 871.47 12000.0 872.4747 2600.0 983.4973 3600.0 1082.5658 71000.0 1083.5688 19000.0 END IONS BEGIN IONS SCANS=502 PEPMASS=1082.5663 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1100.0 217.133 1600.0 245.1281 3000.0 263.1379 1600.0 337.2224 3400.0 360.1913 2500.0 365.2177 11000.0 399.2023 2200.0 422.2391 1900.0 479.2634 1100.0 507.2599 1300.0 576.3132 86000.0 577.3159 7900.0 604.3098 2100.0 609.3394 5600.0 661.333 3300.0 723.3817 2400.0 820.4341 44000.0 821.4369 7300.0 871.4703 12000.0 872.4716 2200.0 983.4977 3000.0 1064.5558 1400.0 1082.5659 69000.0 1083.5686 17000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=1082.566 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1100.0 217.133 1600.0 245.1281 3000.0 263.1379 1600.0 337.2224 3400.0 360.1913 2500.0 365.2177 11000.0 399.2023 2200.0 422.2391 1900.0 479.2634 1100.0 507.2599 1300.0 576.3132 86000.0 577.3159 7900.0 604.3098 2100.0 609.3394 5600.0 661.333 3300.0 723.3817 2400.0 820.4341 44000.0 821.4369 7300.0 871.4703 12000.0 872.4716 2200.0 983.4977 3000.0 1064.5558 1400.0 1082.5659 69000.0 1083.5686 17000.0 END IONS BEGIN IONS SCANS=504 PEPMASS=1082.5659 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1700.0 337.2234 1700.0 365.218 4100.0 474.2357 1500.0 576.3132 6500.0 609.3382 7000.0 610.3426 1300.0 675.3829 1900.0 718.3553 5700.0 772.4012 2100.0 820.4341 4000.0 838.4448 5400.0 871.4723 1200.0 919.5038 1100.0 1037.5421 1200.0 1054.5714 7000.0 1055.5741 1100.0 1065.5394 8200.0 1066.5396 1900.0 1082.566 59000.0 1083.5684 16000.0 END IONS BEGIN IONS SCANS=505 PEPMASS=1082.5657 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1700.0 337.2234 1700.0 365.218 4100.0 474.2357 1500.0 576.3132 6500.0 609.3382 7000.0 610.3426 1300.0 675.3829 1900.0 718.3553 5700.0 772.4012 2100.0 820.4341 4000.0 838.4448 5400.0 871.4723 1200.0 919.5038 1100.0 1037.5421 1200.0 1054.5714 7000.0 1055.5741 1100.0 1065.5394 8200.0 1066.5396 1900.0 1082.566 59000.0 1083.5684 16000.0 END IONS BEGIN IONS SCANS=506 PEPMASS=1082.5667 CHARGE=1 COLLISION_ENERGY=0.0 183.149 1400.0 212.1024 2700.0 245.1282 2800.0 252.1339 1000.0 283.1765 1100.0 311.1706 8700.0 337.2227 13000.0 365.2178 36000.0 366.2215 2500.0 399.2017 3700.0 408.1906 1300.0 422.239 1300.0 446.2385 4100.0 462.2704 1600.0 467.2653 1500.0 474.234 15000.0 475.2377 1200.0 479.2973 2000.0 512.2863 2400.0 521.3084 2300.0 528.2817 1700.0 554.2603 1200.0 555.2916 1100.0 559.2875 3600.0 562.2659 1700.0 571.287 4900.0 576.2811 1200.0 576.313 16000.0 581.3436 8000.0 588.3135 3200.0 593.3393 6300.0 609.3385 70000.0 610.3408 7300.0 627.3491 1000.0 630.3606 3100.0 647.388 3000.0 656.3777 1400.0 658.3546 9300.0 659.3586 1300.0 673.3343 2000.0 675.3814 23000.0 676.3834 2400.0 684.3705 6900.0 690.3602 6800.0 691.3624 1100.0 692.4089 2300.0 701.3281 9500.0 718.3544 48000.0 719.3578 7200.0 723.4175 1400.0 727.3801 2100.0 741.3922 1600.0 744.4072 2300.0 772.4017 14000.0 773.404 2100.0 775.4114 1400.0 777.4273 1200.0 803.4086 2600.0 810.4498 6300.0 815.4094 2700.0 820.4338 7500.0 821.4169 9300.0 822.4536 2900.0 826.4494 2700.0 838.4445 41000.0 839.4472 7600.0 855.4038 1600.0 871.4714 5300.0 872.4297 8000.0 891.5069 2200.0 902.4767 5500.0 919.5023 7600.0 928.4902 3300.0 935.4984 2600.0 940.4924 3600.0 968.4872 1800.0 969.4801 2000.0 983.4974 4100.0 985.5148 5800.0 1037.5442 7800.0 1038.5481 2500.0 1047.5315 2500.0 1054.5706 71000.0 1055.5746 16000.0 1064.5554 11000.0 1065.5388 78000.0 1066.5427 19000.0 1082.5654 500000.0 1083.5687 120000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=1090.6089 CHARGE=1 COLLISION_ENERGY=0.0 87.0444 1400.0 89.06 2600.0 115.0755 2100.0 117.0911 6800.0 133.0859 2400.0 175.1329 3900.0 177.1121 2300.0 190.12 1200.0 233.175 1900.0 864.4407 1100.0 959.5151 1000.0 1047.5491 2000.0 1054.5883 4400.0 1072.5984 22000.0 1073.6011 5000.0 1089.6105 4000.0 1090.6091 53000.0 1091.6118 13000.0 END IONS BEGIN IONS SCANS=508 PEPMASS=1090.6086 CHARGE=1 COLLISION_ENERGY=0.0 87.0445 1500.0 89.06 2600.0 115.0756 1300.0 117.0911 4700.0 133.0858 2400.0 175.1329 2800.0 177.1123 1600.0 233.1751 1300.0 730.419 1200.0 748.4305 1300.0 906.4254 1200.0 941.5034 1700.0 959.5136 1300.0 1003.5601 1200.0 1046.5474 1600.0 1047.5492 1900.0 1054.587 3900.0 1071.598 2000.0 1072.5988 31000.0 1073.6019 6500.0 1089.6094 5900.0 1090.6091 64000.0 1091.6123 16000.0 END IONS BEGIN IONS SCANS=509 PEPMASS=1090.6101 CHARGE=1 COLLISION_ENERGY=0.0 89.0602 1000.0 91.5081 1200.0 117.0911 2400.0 217.1201 1300.0 846.4308 1400.0 959.5142 1500.0 1003.5573 1200.0 1031.5917 1000.0 1046.5487 1500.0 1047.5498 1200.0 1054.5863 3000.0 1071.6017 1900.0 1072.5991 21000.0 1073.6028 4900.0 1089.6115 5300.0 1090.6096 53000.0 1091.6123 12000.0 END IONS BEGIN IONS SCANS=510 PEPMASS=1090.6098 CHARGE=1 COLLISION_ENERGY=0.0 91.508 1500.0 217.1201 1000.0 959.5162 1600.0 1003.5605 1300.0 1031.5917 1400.0 1046.5461 1800.0 1047.5508 2100.0 1054.5886 3700.0 1071.6 3500.0 1072.5989 25000.0 1073.6033 4700.0 1089.6119 7600.0 1090.6101 57000.0 1091.6129 14000.0 END IONS BEGIN IONS SCANS=511 PEPMASS=1090.61 CHARGE=1 COLLISION_ENERGY=0.0 217.1199 1600.0 846.4318 1300.0 1028.6058 1200.0 1030.5896 1000.0 1031.5929 1100.0 1046.5472 1500.0 1047.5498 1300.0 1054.5869 4400.0 1055.5955 1000.0 1071.5983 3000.0 1072.5985 25000.0 1073.6012 6000.0 1089.6111 8200.0 1090.6096 57000.0 1091.6129 12000.0 END IONS BEGIN IONS SCANS=512 PEPMASS=1092.6227 CHARGE=1 COLLISION_ENERGY=0.0 117.091 2300.0 175.1328 1000.0 958.546 1700.0 1001.6014 1300.0 1028.6245 130000.0 1029.6277 21000.0 1074.5616 1100.0 1074.6067 2400.0 1077.5978 1600.0 1091.5746 2500.0 1092.6227 470000.0 1093.6259 94000.0 END IONS BEGIN IONS SCANS=513 PEPMASS=1092.7296 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 7000.0 87.0445 1200.0 89.0601 1900.0 115.0756 1500.0 117.0911 3800.0 133.0859 1200.0 175.1326 2200.0 233.1741 1200.0 441.2701 1000.0 568.3944 1100.0 657.4172 1000.0 667.4372 1800.0 685.4482 6900.0 686.4507 1700.0 877.5596 1100.0 980.6616 1400.0 990.6454 2000.0 1008.6586 15000.0 1009.6635 2900.0 END IONS BEGIN IONS SCANS=514 PEPMASS=1092.7267 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 7000.0 87.0445 1200.0 89.0601 1900.0 115.0756 1500.0 117.0911 3800.0 133.0859 1200.0 175.1326 2200.0 233.1741 1200.0 441.2701 1000.0 568.3944 1100.0 657.4172 1000.0 667.4372 1800.0 685.4482 6900.0 686.4507 1700.0 877.5596 1100.0 980.6616 1400.0 990.6454 2000.0 1008.6586 15000.0 1009.6635 2900.0 END IONS BEGIN IONS SCANS=515 PEPMASS=1092.729 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1200.0 117.0912 1400.0 685.4489 3600.0 1008.6578 3400.0 1036.6895 2400.0 1055.5898 1500.0 1056.5923 2100.0 1073.6029 4300.0 1074.6001 14000.0 1075.6023 3200.0 1091.6122 10000.0 1092.6116 26000.0 1093.6129 5400.0 END IONS BEGIN IONS SCANS=516 PEPMASS=1093.5913 CHARGE=1 COLLISION_ENERGY=0.0 86.0966 15000.0 91.5081 1900.0 120.0806 9800.0 187.5625 1000.0 221.1283 1600.0 231.1126 3700.0 233.1642 1700.0 249.1228 4700.0 254.1492 7000.0 261.1591 3500.0 272.16 4200.0 275.1753 1300.0 276.17 2300.0 290.1702 1500.0 303.17 110000.0 304.1732 4500.0 318.1812 1600.0 320.1961 2400.0 325.1864 1700.0 330.1805 7300.0 334.2123 1300.0 344.1963 42000.0 345.2 3000.0 345.2121 1100.0 348.1913 3300.0 353.2177 4400.0 355.1972 7000.0 362.2067 10000.0 373.2072 2500.0 389.2543 1700.0 391.2338 1300.0 401.2182 1400.0 415.27 2300.0 416.2499 2500.0 417.2503 1200.0 419.2282 8500.0 422.2433 8900.0 423.2461 1300.0 424.2542 1700.0 426.2341 6500.0 433.2801 3800.0 443.2643 12000.0 444.2446 21000.0 444.2614 1100.0 444.2679 1200.0 450.2381 110000.0 451.2414 9700.0 454.2658 5900.0 461.2759 5500.0 472.2765 1000.0 502.2649 7100.0 504.3164 1100.0 505.2811 2400.0 507.2597 23000.0 507.2915 1100.0 508.2632 2000.0 514.3026 4500.0 523.2913 6500.0 525.3027 5300.0 526.3033 1200.0 532.3127 7700.0 533.2751 200000.0 534.2789 20000.0 543.3127 18000.0 544.3153 3100.0 551.2855 82000.0 552.2885 8300.0 578.332 1400.0 597.3381 2000.0 601.3349 3000.0 604.3484 4100.0 606.3276 10000.0 607.3295 1900.0 615.349 11000.0 622.3602 1200.0 626.3502 4700.0 632.3434 260000.0 633.3462 32000.0 644.3605 49000.0 645.3628 6800.0 650.3541 42000.0 651.3574 5400.0 672.3714 2000.0 696.4077 2800.0 703.3791 3600.0 714.4178 6600.0 721.391 20000.0 722.3942 3100.0 755.4069 1100.0 773.4182 7300.0 785.4548 3900.0 786.4172 2200.0 791.4288 82000.0 792.4316 12000.0 803.4652 1800.0 804.4293 7400.0 805.4363 1200.0 822.4409 1900.0 875.5024 1900.0 876.4474 1300.0 876.5162 1200.0 877.4476 1200.0 885.4861 1200.0 886.5016 8500.0 898.3856 1100.0 903.4977 20000.0 904.5127 170000.0 905.5159 27000.0 923.4866 4500.0 974.5339 8900.0 975.5366 1500.0 992.5467 1300.0 994.5184 3500.0 1022.5546 2800.0 1031.5548 1200.0 1065.5948 3600.0 1075.5815 20000.0 1076.5839 6400.0 1093.5914 32000.0 1094.595 7200.0 END IONS BEGIN IONS SCANS=517 PEPMASS=1093.7471 CHARGE=1 COLLISION_ENERGY=0.0 85.0763 1100.0 86.0966 1600.0 227.1752 1400.0 245.1855 1000.0 326.2431 1600.0 328.1865 1300.0 342.2022 1100.0 352.2477 1600.0 360.212 1600.0 423.2596 1300.0 441.2703 10000.0 465.3317 2800.0 483.342 4500.0 508.3488 1300.0 526.3597 1000.0 536.3446 2500.0 554.3539 5100.0 560.4038 1200.0 572.3651 3200.0 578.4148 5000.0 596.426 10000.0 665.448 1000.0 667.4387 5400.0 677.4835 4300.0 685.4485 67000.0 686.4513 7200.0 695.4949 8800.0 696.497 1200.0 711.4536 3400.0 790.5679 1200.0 792.5121 2800.0 808.5787 2500.0 810.5222 3800.0 824.537 1900.0 877.5979 2600.0 887.5842 1300.0 905.5942 4600.0 906.5996 1300.0 919.6134 1100.0 923.6058 10000.0 924.6086 1700.0 937.6205 1400.0 1008.6967 6200.0 1009.7001 1300.0 1018.6794 14000.0 1019.6807 3500.0 1036.6895 85000.0 1037.6932 15000.0 1074.6007 1700.0 1075.6031 1900.0 1092.6135 3100.0 1093.6151 4500.0 END IONS BEGIN IONS SCANS=518 PEPMASS=1094.7456 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1500.0 87.0444 1600.0 87.0921 2700.0 89.0601 2100.0 115.0754 1500.0 117.0912 5200.0 133.0857 2800.0 175.1329 2600.0 177.1119 1300.0 233.1745 1400.0 441.2701 4500.0 455.2855 1300.0 554.354 1900.0 578.4156 1200.0 582.41 1400.0 596.4257 3000.0 667.438 2300.0 671.4313 2300.0 677.4834 1200.0 685.4488 23000.0 686.4517 4800.0 695.4957 3100.0 699.4642 8400.0 700.467 1900.0 711.4523 1200.0 743.4525 1100.0 810.5203 1400.0 877.5994 1100.0 905.5928 1700.0 923.6042 4600.0 924.6066 1500.0 937.6219 1000.0 1008.6506 2300.0 1008.6976 1000.0 1018.6794 6700.0 1019.6801 1600.0 1036.6897 39000.0 1037.693 12000.0 1038.6962 1100.0 1058.5841 1000.0 1075.6029 2500.0 1076.5988 3700.0 1077.5941 1300.0 1093.6132 2400.0 1094.6099 7100.0 END IONS BEGIN IONS SCANS=519 PEPMASS=1095.7659 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 87.0918 4700.0 117.0908 3100.0 227.1751 2300.0 229.1177 1000.0 245.1854 1400.0 326.2428 1300.0 328.186 1600.0 338.2322 2300.0 342.2017 1400.0 356.2429 1300.0 360.2122 2100.0 423.2589 2400.0 441.2702 14000.0 451.3163 3000.0 455.2854 1500.0 459.2815 2700.0 469.3261 5300.0 487.3369 1100.0 508.3488 2000.0 526.3593 1500.0 536.3431 3700.0 546.3889 1400.0 554.3538 7100.0 564.3998 6100.0 568.3718 1000.0 568.3951 1600.0 572.3639 3300.0 582.4105 13000.0 583.4146 1500.0 639.4439 1400.0 645.4575 1400.0 663.4693 5600.0 664.4733 1200.0 667.4385 9500.0 668.4416 1300.0 679.4275 1500.0 681.4788 11000.0 682.4821 2400.0 685.4486 110000.0 686.4518 15000.0 695.4941 1300.0 697.4371 6000.0 751.4844 1100.0 760.4843 1600.0 778.4944 3600.0 792.5124 1400.0 794.5622 4500.0 795.5653 1200.0 796.5053 4900.0 797.5105 1000.0 810.5215 2200.0 863.5848 3000.0 891.5797 7800.0 892.5846 2300.0 895.5736 1200.0 905.5944 1500.0 907.6453 1200.0 909.5897 15000.0 910.5925 2900.0 923.6057 3300.0 976.668 1300.0 977.6524 1700.0 986.6514 1300.0 994.6798 7000.0 995.6826 1600.0 1004.6635 25000.0 1005.6682 5100.0 1008.6589 6000.0 1009.6628 2500.0 1022.6738 120000.0 1023.6774 31000.0 1024.6808 1600.0 1050.7047 1500.0 END IONS BEGIN IONS SCANS=520 PEPMASS=1095.7647 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1900.0 87.0919 1500.0 117.0911 2900.0 175.1324 1300.0 227.1747 2300.0 245.1855 1100.0 326.2429 2300.0 328.1856 1900.0 338.2325 2200.0 356.2419 1000.0 360.212 2000.0 395.2652 1200.0 423.2593 2100.0 441.2701 13000.0 451.3161 2700.0 459.2812 2300.0 469.3269 5400.0 487.3369 1400.0 508.3489 2200.0 526.3598 1600.0 536.3439 3100.0 546.3891 1900.0 552.3014 1100.0 554.3541 7900.0 564.3994 6700.0 572.3645 4000.0 582.4103 16000.0 583.413 1800.0 584.3538 1300.0 586.3807 1300.0 639.4426 1200.0 645.4581 1600.0 649.4269 1100.0 663.468 5100.0 664.4706 1100.0 667.4381 8800.0 668.4413 1300.0 679.4263 1700.0 681.4786 14000.0 682.4816 2000.0 685.4485 99000.0 686.452 15000.0 695.4943 1400.0 697.4385 5600.0 698.4411 1200.0 751.4837 1000.0 778.4949 4400.0 779.498 1200.0 792.5107 1400.0 794.5631 4400.0 796.506 5400.0 797.5078 1200.0 810.52 1700.0 863.5828 3000.0 873.5701 1700.0 891.5782 7600.0 892.5817 1900.0 905.5945 1300.0 909.5899 13000.0 910.5931 3200.0 923.6053 4400.0 976.6692 1700.0 977.6528 1500.0 986.6497 1700.0 994.6791 7300.0 995.6852 2200.0 1004.6637 21000.0 1005.6658 5500.0 1006.6686 1000.0 1008.6582 2000.0 1022.6738 120000.0 1023.6772 34000.0 1024.6786 2300.0 END IONS BEGIN IONS SCANS=521 PEPMASS=1095.7604 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 86.0969 1000.0 117.091 2600.0 245.186 1600.0 342.2021 1300.0 352.248 1300.0 441.2695 2000.0 455.2857 5000.0 465.3316 1500.0 473.2965 1200.0 483.3424 2700.0 568.3701 3000.0 578.4159 2700.0 586.3805 1900.0 596.4266 6900.0 667.4402 1200.0 681.4539 2800.0 685.449 10000.0 686.4525 5500.0 691.499 1400.0 695.4944 2300.0 699.4644 30000.0 700.4672 3400.0 709.5104 4600.0 711.4531 2000.0 713.4813 3900.0 806.5258 2100.0 822.5935 1600.0 824.5376 2200.0 891.6154 1100.0 919.611 3400.0 924.608 1300.0 937.6217 7600.0 938.622 1700.0 1018.6766 1900.0 1019.6818 1800.0 1022.7172 2600.0 1032.6946 7000.0 1033.6957 1600.0 1036.6892 9100.0 1037.6929 9300.0 1038.6987 2600.0 1050.7061 45000.0 1051.7096 12000.0 1059.5857 1200.0 1076.5952 2000.0 1077.598 3000.0 1078.5944 1000.0 1094.61 3200.0 1095.6089 4300.0 1096.6091 1300.0 END IONS BEGIN IONS SCANS=522 PEPMASS=1095.7676 CHARGE=1 COLLISION_ENERGY=0.0 86.0969 1400.0 227.1757 1800.0 245.1854 1300.0 342.2019 2000.0 352.2484 1000.0 441.2698 4100.0 455.2861 5100.0 465.3322 1600.0 473.2975 1100.0 479.3486 1300.0 483.3428 1200.0 497.3587 1600.0 554.3547 2000.0 568.3704 3300.0 578.4156 2500.0 586.3812 1700.0 592.4317 1500.0 596.426 4900.0 610.4423 4100.0 667.437 2700.0 677.4849 1500.0 681.455 3400.0 685.4485 27000.0 686.4515 4000.0 691.4985 3500.0 695.4944 2700.0 699.464 36000.0 700.4679 3600.0 709.5098 6300.0 710.5148 1200.0 711.4532 1100.0 725.4698 2400.0 806.5265 2600.0 822.5915 2200.0 824.5373 5800.0 825.5393 1200.0 838.5529 1700.0 891.6176 1300.0 919.6104 4600.0 937.6205 9100.0 938.6228 1400.0 951.6382 1700.0 1005.6829 1300.0 1022.7099 6800.0 1032.6946 12000.0 1033.6991 2500.0 1036.6879 1200.0 1037.6927 1600.0 1050.7056 68000.0 1051.7083 17000.0 1064.7198 2400.0 1077.6002 2900.0 1094.6099 1700.0 1095.6093 3200.0 1096.6089 1000.0 END IONS BEGIN IONS SCANS=523 PEPMASS=1095.7671 CHARGE=1 COLLISION_ENERGY=0.0 227.1755 1500.0 328.1868 1200.0 342.2021 1000.0 360.2118 1000.0 441.2697 4700.0 455.2854 3700.0 479.3477 1200.0 483.3423 1700.0 497.3587 1900.0 536.345 1500.0 554.3558 1900.0 568.3695 2300.0 572.364 1100.0 586.3812 1500.0 592.4324 1800.0 596.4264 4400.0 610.4413 5000.0 611.4449 1000.0 667.4377 4000.0 681.4547 1500.0 685.4483 34000.0 686.4516 4900.0 691.499 2100.0 695.493 2000.0 699.4641 23000.0 700.4672 2400.0 709.5099 7100.0 710.5125 1200.0 711.4551 1200.0 725.4693 2000.0 806.525 2200.0 822.593 2000.0 824.5361 5000.0 838.5528 1300.0 891.6152 1700.0 919.6104 4900.0 937.6212 7600.0 938.6242 2300.0 951.6354 1500.0 1005.6862 1100.0 1018.68 1300.0 1022.7115 5800.0 1023.7136 1200.0 1032.6951 10000.0 1033.6979 1700.0 1036.6884 2700.0 1037.6943 2000.0 1050.705 62000.0 1051.708 14000.0 1076.5948 2200.0 1077.5992 2600.0 1094.6094 1900.0 1095.6073 2900.0 END IONS BEGIN IONS SCANS=524 PEPMASS=1095.7677 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 1076.593 1200.0 1077.5951 1900.0 1094.606 1300.0 1095.6118 2200.0 END IONS BEGIN IONS SCANS=525 PEPMASS=1095.7675 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 1076.593 1200.0 1077.5951 1900.0 1094.606 1300.0 1095.6118 2200.0 END IONS BEGIN IONS SCANS=526 PEPMASS=1095.7667 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 1076.593 1200.0 1077.5951 1900.0 1094.606 1300.0 1095.6118 2200.0 END IONS BEGIN IONS SCANS=527 PEPMASS=1095.7665 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 1076.593 1200.0 1077.5951 1900.0 1094.606 1300.0 1095.6118 2200.0 END IONS BEGIN IONS SCANS=528 PEPMASS=1095.767 CHARGE=1 COLLISION_ENERGY=0.0 227.1752 1400.0 366.2632 1300.0 441.2699 5700.0 455.2852 1600.0 459.2801 1000.0 497.357 2800.0 536.3427 1500.0 554.3536 3800.0 568.3696 1200.0 572.365 2000.0 592.4316 1300.0 596.427 1000.0 610.4407 5900.0 667.438 4400.0 685.4485 42000.0 686.4518 4900.0 691.499 1800.0 699.4639 8000.0 709.5101 5000.0 725.4697 2700.0 779.5134 1100.0 806.5243 1800.0 822.5955 2200.0 824.538 2900.0 891.615 1400.0 919.6093 4400.0 937.6212 7100.0 938.6215 1400.0 951.6339 1400.0 1018.6772 1200.0 1022.7114 4400.0 1032.6949 8900.0 1033.6924 1900.0 1036.6886 1200.0 1037.6917 1300.0 1050.7053 50000.0 1051.7081 13000.0 1076.593 1200.0 1077.5951 1900.0 1094.606 1300.0 1095.6118 2200.0 END IONS BEGIN IONS SCANS=529 PEPMASS=1095.7643 CHARGE=1 COLLISION_ENERGY=0.0 441.2698 5000.0 497.3583 2400.0 554.3533 1900.0 572.3635 1400.0 610.4417 4000.0 667.438 3900.0 685.4484 34000.0 686.4519 5400.0 699.4622 1300.0 709.5102 4700.0 723.5241 1100.0 725.4675 1200.0 806.5255 1800.0 824.5358 1500.0 919.6116 2200.0 937.6214 4900.0 951.6375 2100.0 1018.6746 1300.0 1022.7109 2500.0 1032.694 3800.0 1046.7048 1500.0 1050.7048 25000.0 1051.708 7200.0 1064.7202 6900.0 1065.7209 1500.0 1095.6058 1200.0 END IONS BEGIN IONS SCANS=530 PEPMASS=1099.7061 CHARGE=1 COLLISION_ENERGY=0.0 87.0441 2300.0 89.0598 3400.0 115.0755 3100.0 117.0912 9000.0 133.0857 3900.0 173.1172 1100.0 175.1329 4700.0 177.1121 2900.0 233.1745 4100.0 245.1314 1200.0 291.2158 1000.0 346.142 1300.0 352.2478 2300.0 441.2702 2900.0 459.2269 8000.0 459.2807 1400.0 465.3309 3100.0 483.3419 3200.0 544.3154 1300.0 554.3 1000.0 572.3109 4300.0 578.4152 1700.0 590.3204 2400.0 596.3718 2300.0 596.4269 5300.0 598.3699 1100.0 604.3378 1200.0 614.3828 5400.0 685.3954 6100.0 695.4414 2000.0 695.494 1900.0 703.4051 65000.0 704.4084 7200.0 711.453 2300.0 713.4515 4500.0 810.4677 1500.0 810.5216 1200.0 826.5359 2400.0 828.4783 3500.0 895.5558 1800.0 923.5525 4600.0 941.5616 10000.0 942.5646 1700.0 955.5771 2900.0 1026.6504 5700.0 1027.6533 1200.0 1035.6772 3400.0 1036.6354 13000.0 1036.6798 1000.0 1037.6381 3900.0 1044.5654 1300.0 1053.689 1400.0 1054.6462 71000.0 1055.6498 17000.0 1062.5785 2800.0 1063.5802 2800.0 1064.5775 1100.0 END IONS BEGIN IONS SCANS=531 PEPMASS=1100.5781 CHARGE=1 COLLISION_ENERGY=0.0 230.1129 3200.0 245.1282 2100.0 337.2223 3500.0 360.1919 1100.0 365.218 11000.0 399.2022 1300.0 440.2504 3200.0 507.2597 1200.0 577.2953 2900.0 594.3239 71000.0 595.3278 6100.0 604.3133 1700.0 609.3386 7900.0 627.348 1300.0 661.3348 1800.0 741.3919 2300.0 821.4183 1900.0 838.4446 38000.0 839.4478 6200.0 843.475 1500.0 871.4703 22000.0 872.4722 3100.0 968.5237 1100.0 1001.5093 2500.0 1082.5641 1500.0 1083.55 5200.0 1100.5769 89000.0 1101.58 24000.0 END IONS BEGIN IONS SCANS=532 PEPMASS=1100.5784 CHARGE=1 COLLISION_ENERGY=0.0 230.1129 3200.0 245.1282 2100.0 337.2223 3500.0 360.1919 1100.0 365.218 11000.0 399.2022 1300.0 440.2504 3200.0 507.2597 1200.0 577.2953 2900.0 594.3239 71000.0 595.3278 6100.0 604.3133 1700.0 609.3386 7900.0 627.348 1300.0 661.3348 1800.0 741.3919 2300.0 821.4183 1900.0 838.4446 38000.0 839.4478 6200.0 843.475 1500.0 871.4703 22000.0 872.4722 3100.0 968.5237 1100.0 1001.5093 2500.0 1082.5641 1500.0 1083.55 5200.0 1100.5769 89000.0 1101.58 24000.0 END IONS BEGIN IONS SCANS=533 PEPMASS=1106.7429 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 130000.0 86.0797 1100.0 86.0842 3500.0 86.0968 1600.0 91.5082 1600.0 227.1753 1500.0 229.118 1100.0 245.1859 1100.0 326.2446 1600.0 328.1868 1900.0 338.2316 2500.0 342.202 1100.0 360.213 1900.0 423.2603 1800.0 441.2701 14000.0 442.2735 1300.0 451.3162 2900.0 455.2863 1500.0 459.2812 1600.0 469.3269 5000.0 487.3381 2000.0 508.3485 2300.0 526.3603 1700.0 536.3433 3000.0 546.39 1800.0 554.3542 6400.0 564.3997 6100.0 572.3641 3600.0 582.4104 14000.0 583.4146 1900.0 586.3807 1100.0 645.4583 1500.0 663.4682 6000.0 667.4378 9200.0 668.4427 1200.0 679.4269 1600.0 681.4788 13000.0 682.482 2300.0 685.4485 100000.0 686.4514 14000.0 695.4962 1100.0 697.4374 5000.0 698.4406 1300.0 751.4834 1400.0 760.4852 1000.0 778.4954 4700.0 794.5616 4300.0 796.5071 5200.0 810.5195 2100.0 863.5839 4000.0 873.5682 1900.0 891.5789 8200.0 892.5837 1900.0 909.5895 16000.0 910.5933 2800.0 923.6053 3000.0 976.6675 1700.0 977.6517 2200.0 986.6479 2300.0 994.6791 8300.0 995.6789 2500.0 1004.6635 23000.0 1005.6669 6200.0 1022.6738 140000.0 1023.6771 31000.0 1024.6785 1100.0 END IONS BEGIN IONS SCANS=534 PEPMASS=1106.7433 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 130000.0 86.0843 3900.0 86.0969 2700.0 91.5082 2100.0 117.0911 1500.0 227.1756 1800.0 326.2447 1900.0 328.1871 2000.0 338.2319 2200.0 356.2429 1100.0 360.2123 2000.0 395.2655 1400.0 423.2592 2300.0 441.2701 15000.0 451.3162 3900.0 455.2852 1200.0 459.2815 3000.0 469.3262 5200.0 508.3497 2700.0 526.3594 1600.0 536.3429 2800.0 546.3896 1700.0 554.3538 9300.0 564.3992 6300.0 572.3648 3400.0 582.4104 15000.0 583.4146 2300.0 584.3539 1300.0 586.3817 1300.0 645.4582 1400.0 663.4684 5500.0 667.4387 7600.0 668.4416 1800.0 679.4282 2300.0 681.4789 14000.0 682.4843 2600.0 685.4487 110000.0 686.4519 14000.0 695.496 1900.0 697.4371 5700.0 751.4842 1400.0 760.4853 1500.0 776.552 1100.0 778.4955 3800.0 794.5635 3600.0 796.5058 5900.0 810.5228 2900.0 863.5862 3500.0 864.5648 1000.0 873.5702 2200.0 891.5803 9600.0 892.5812 1600.0 905.5912 1100.0 907.6453 1000.0 909.5901 16000.0 910.592 2900.0 923.6057 4800.0 977.653 1900.0 994.6797 11000.0 995.6812 1200.0 1004.6638 26000.0 1005.667 6700.0 1022.674 140000.0 1023.6771 32000.0 1024.6798 1100.0 1105.5966 1100.0 END IONS BEGIN IONS SCANS=535 PEPMASS=1106.7448 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 12000.0 117.0911 2600.0 441.2702 1800.0 582.4102 1900.0 667.4371 2600.0 681.4775 2500.0 685.4485 17000.0 686.4516 2000.0 796.5038 1000.0 863.5797 1000.0 891.5766 1200.0 909.5889 2300.0 1004.6634 3600.0 1018.6743 1500.0 1019.681 1100.0 1022.6743 26000.0 1023.6785 5600.0 END IONS BEGIN IONS SCANS=536 PEPMASS=1106.7441 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 12000.0 117.0911 2600.0 441.2702 1800.0 582.4102 1900.0 667.4371 2600.0 681.4775 2500.0 685.4485 17000.0 686.4516 2000.0 796.5038 1000.0 863.5797 1000.0 891.5766 1200.0 909.5889 2300.0 1004.6634 3600.0 1018.6743 1500.0 1019.681 1100.0 1022.6743 26000.0 1023.6785 5600.0 END IONS BEGIN IONS SCANS=537 PEPMASS=1106.7436 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 697.4383 1000.0 699.4661 1000.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 1088.616 3100.0 1105.6246 1600.0 1106.6298 5900.0 1107.6251 1500.0 END IONS BEGIN IONS SCANS=538 PEPMASS=1106.7435 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 697.4383 1000.0 699.4661 1000.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 1088.616 3100.0 1105.6246 1600.0 1106.6298 5900.0 1107.6251 1500.0 END IONS BEGIN IONS SCANS=539 PEPMASS=1106.7466 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 697.4383 1000.0 699.4661 1000.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 1088.616 3100.0 1105.6246 1600.0 1106.6298 5900.0 1107.6251 1500.0 END IONS BEGIN IONS SCANS=540 PEPMASS=1106.7433 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 13000.0 441.2691 2000.0 554.3532 1200.0 582.4108 2100.0 667.4386 1300.0 671.4324 5800.0 681.4789 1300.0 685.4482 11000.0 686.4514 1900.0 695.4932 1600.0 697.4383 1000.0 699.4661 1000.0 891.5779 1700.0 909.5917 2200.0 923.6034 1400.0 994.6754 1500.0 1004.6651 5300.0 1005.6654 1300.0 1022.6744 28000.0 1023.6774 7300.0 1088.616 3100.0 1105.6246 1600.0 1106.6298 5900.0 1107.6251 1500.0 END IONS BEGIN IONS SCANS=541 PEPMASS=1106.7435 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 6500.0 91.5082 1100.0 117.0913 1100.0 441.2705 1400.0 554.3551 1100.0 671.4328 2300.0 681.4797 1000.0 685.4486 9900.0 686.4518 1400.0 699.4653 1400.0 891.5803 1200.0 909.5901 2100.0 1004.662 3100.0 1022.6744 17000.0 1023.6771 3800.0 1050.7048 1800.0 1074.5975 1400.0 1087.6185 1300.0 1088.6162 5800.0 1089.6138 1300.0 1105.6292 4100.0 1106.6268 17000.0 1107.6284 4800.0 END IONS BEGIN IONS SCANS=542 PEPMASS=1106.7434 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 6500.0 91.5082 1100.0 117.0913 1100.0 441.2705 1400.0 554.3551 1100.0 671.4328 2300.0 681.4797 1000.0 685.4486 9900.0 686.4518 1400.0 699.4653 1400.0 891.5803 1200.0 909.5901 2100.0 1004.662 3100.0 1022.6744 17000.0 1023.6771 3800.0 1050.7048 1800.0 1074.5975 1400.0 1087.6185 1300.0 1088.6162 5800.0 1089.6138 1300.0 1105.6292 4100.0 1106.6268 17000.0 1107.6284 4800.0 END IONS BEGIN IONS SCANS=543 PEPMASS=1108.7605 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 2000.0 87.0921 7000.0 117.0911 1500.0 441.27 1200.0 455.2866 2300.0 483.3417 1400.0 568.37 1600.0 578.415 1400.0 596.4266 2800.0 671.4318 2600.0 685.4483 5800.0 686.453 1100.0 691.4984 1200.0 699.4648 14000.0 700.4673 3600.0 709.5084 2000.0 711.4532 1100.0 824.5341 1400.0 919.6108 1100.0 937.6216 4100.0 938.6216 1300.0 1004.66 1500.0 1022.6725 5800.0 1023.6729 2300.0 1032.6949 3700.0 1033.6952 1700.0 1036.6906 3100.0 1050.7051 17000.0 1051.7084 7400.0 1052.7113 1000.0 1072.603 1100.0 1089.6134 2200.0 1090.6136 3500.0 1107.6279 3100.0 1108.625 5000.0 1109.6239 1400.0 END IONS BEGIN IONS SCANS=544 PEPMASS=1108.7591 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 4800.0 87.0921 4100.0 441.2699 1600.0 455.286 1300.0 465.3323 1000.0 483.3418 1200.0 568.3706 2100.0 578.4156 1600.0 586.3799 1200.0 596.4265 3500.0 668.4408 1200.0 671.4327 4200.0 677.4838 1500.0 685.4489 5900.0 686.4519 5500.0 687.4543 1900.0 695.4938 5300.0 699.4642 21000.0 700.4682 3400.0 824.5366 3000.0 919.6101 1100.0 923.6014 1200.0 937.6213 2700.0 1004.6619 1200.0 1005.6649 1900.0 1006.6697 1000.0 1022.6705 7900.0 1023.6767 11000.0 1024.6804 9400.0 1025.6836 1000.0 1032.6899 2300.0 1036.6857 1200.0 1050.7058 27000.0 1051.709 8300.0 1058.5856 1000.0 1089.6173 1400.0 1090.616 3100.0 1107.6283 3500.0 1108.6238 6600.0 1109.6224 1600.0 END IONS BEGIN IONS SCANS=545 PEPMASS=1108.7608 CHARGE=1 COLLISION_ENERGY=0.0 366.2629 1100.0 441.2701 4800.0 479.346 1200.0 497.3584 2400.0 554.3531 3200.0 592.4304 1600.0 610.4409 5000.0 667.4379 3300.0 685.4485 34000.0 686.4527 7000.0 709.5105 4300.0 725.4687 1500.0 822.5903 1100.0 824.5366 1200.0 891.6139 1400.0 919.6091 1900.0 937.6212 4400.0 938.6246 1100.0 951.6335 1300.0 1018.6756 1400.0 1022.7156 2400.0 1032.6936 4800.0 1033.6943 1900.0 1036.6847 2000.0 1050.7053 32000.0 1051.7084 10000.0 1089.6188 3300.0 1090.6123 8800.0 1091.6123 1300.0 1107.6284 5300.0 1108.6245 9200.0 1109.6255 2000.0 END IONS BEGIN IONS SCANS=546 PEPMASS=1109.7441 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 9500.0 86.0717 1100.0 86.0799 1200.0 86.0843 3700.0 86.0952 1000.0 86.0968 4800.0 87.092 350000.0 88.0872 1400.0 88.0889 1000.0 88.0953 12000.0 89.0601 1100.0 91.506 2000.0 117.0911 3200.0 133.086 1800.0 173.6578 1400.0 175.1329 2600.0 201.1233 1200.0 227.1751 5300.0 229.1185 2300.0 245.1855 3600.0 326.2431 4000.0 328.1856 3900.0 338.2327 4700.0 342.2019 4100.0 356.2423 2800.0 360.2124 4600.0 395.2651 2400.0 413.2752 1400.0 423.2592 4800.0 441.2701 31000.0 442.2738 4000.0 451.3159 7900.0 452.3202 1300.0 455.2857 3000.0 457.3388 1000.0 459.2808 5900.0 460.2839 1100.0 469.3265 12000.0 470.3303 1900.0 487.3366 2900.0 508.3489 4900.0 526.3593 3200.0 536.3436 8500.0 546.389 4300.0 552.3015 1200.0 554.3535 14000.0 554.4149 1600.0 555.357 2900.0 564.3996 13000.0 565.4038 2500.0 568.3694 1500.0 568.3927 1100.0 572.3644 7500.0 582.4103 32000.0 583.4131 4900.0 584.353 2600.0 585.4205 1100.0 586.3788 2700.0 639.4426 1300.0 645.4572 4000.0 649.428 2500.0 651.4306 1200.0 663.4683 15000.0 664.472 1900.0 665.3874 1000.0 667.4379 20000.0 668.4402 3600.0 669.4433 1800.0 679.4267 3400.0 680.43 1200.0 681.4788 27000.0 682.4807 5300.0 683.4242 1200.0 685.4483 220000.0 686.4514 46000.0 687.4551 5800.0 695.4938 3700.0 697.4366 12000.0 698.4407 2500.0 750.501 1700.0 751.483 3000.0 760.4846 1700.0 776.552 1400.0 778.4958 9300.0 779.498 2400.0 792.5112 3100.0 794.5636 8800.0 795.5662 2300.0 796.5064 11000.0 797.5082 2100.0 810.5196 5100.0 811.5233 1100.0 845.574 2200.0 863.584 11000.0 864.5737 2200.0 873.5686 2400.0 874.5708 1000.0 881.5937 1300.0 891.5795 17000.0 892.5825 5300.0 893.6321 1200.0 905.5958 3200.0 907.6466 1200.0 909.5895 35000.0 910.5928 8500.0 911.594 2400.0 923.6052 7200.0 924.6092 2800.0 976.665 3200.0 977.6533 2300.0 986.6515 3400.0 991.6481 1300.0 994.6783 18000.0 995.6826 5800.0 996.6856 1600.0 1004.663 51000.0 1005.667 16000.0 1006.6697 2500.0 1008.6575 3700.0 1009.6606 5000.0 1010.6624 1600.0 1022.6735 280000.0 1023.6769 92000.0 1024.6799 15000.0 1025.6838 6800.0 END IONS BEGIN IONS SCANS=547 PEPMASS=1109.7423 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 11000.0 86.0797 1800.0 86.0842 4700.0 86.0967 7400.0 87.092 320000.0 88.0872 1300.0 88.0953 8900.0 89.0601 1100.0 91.5083 1300.0 117.091 1500.0 199.1804 1500.0 207.2305 1100.0 227.1753 6000.0 229.1177 2500.0 245.1858 3300.0 326.2434 4600.0 328.1856 4900.0 338.2314 5700.0 342.2017 3600.0 356.2425 3300.0 357.3106 1200.0 360.2126 5500.0 395.2643 2800.0 413.2746 1000.0 423.2597 5100.0 433.3063 1100.0 437.2758 1100.0 441.2701 34000.0 442.2731 3200.0 451.3159 8500.0 455.2857 3600.0 457.3373 1300.0 459.2799 6300.0 469.3265 14000.0 470.3305 2000.0 487.3373 3200.0 508.3487 5600.0 509.3343 1200.0 526.3589 4500.0 536.3437 7600.0 536.4058 1100.0 537.3466 1000.0 538.3487 1100.0 546.3893 4700.0 552.3026 1100.0 554.3541 19000.0 554.4163 1500.0 555.3566 3100.0 556.3602 1200.0 564.3997 16000.0 565.4031 2500.0 566.3425 1300.0 568.3692 2000.0 572.3642 7800.0 582.4104 33000.0 583.4134 5800.0 584.3525 2600.0 584.4175 1300.0 585.4201 1200.0 586.3799 3800.0 621.4333 1200.0 639.4441 1500.0 645.4576 5200.0 649.4277 3500.0 651.4337 1600.0 663.4681 14000.0 664.4698 3100.0 667.4381 22000.0 668.4413 4100.0 669.4437 1800.0 679.4267 4300.0 681.4785 31000.0 682.4813 5000.0 683.4861 1500.0 685.4483 250000.0 686.4517 42000.0 687.4543 7700.0 688.4573 1400.0 695.4944 4500.0 697.437 12000.0 698.4418 2800.0 751.4849 2000.0 760.4856 2200.0 764.5167 1700.0 776.5533 1800.0 778.4956 9400.0 779.4978 2200.0 792.5124 3000.0 794.5624 11000.0 795.5651 2000.0 796.5061 12000.0 796.5654 1000.0 797.5072 2800.0 810.5195 5600.0 845.5739 1500.0 863.5845 8400.0 864.5646 3900.0 873.5682 3000.0 881.5973 1000.0 891.5789 24000.0 892.582 4900.0 905.5923 2500.0 907.6465 1700.0 909.5895 35000.0 910.5927 9500.0 911.5977 2600.0 923.6044 10000.0 924.6074 2500.0 976.6675 3000.0 977.6509 4300.0 986.6516 4400.0 994.6779 20000.0 995.6813 5500.0 996.6837 1200.0 1004.6629 56000.0 1005.6656 16000.0 1006.6674 2400.0 1007.6735 1100.0 1022.6735 290000.0 1023.6766 84000.0 1024.6799 18000.0 1025.6807 6600.0 END IONS BEGIN IONS SCANS=548 PEPMASS=1109.7422 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1600.0 86.0968 1000.0 87.092 12000.0 117.0912 1900.0 227.1756 1400.0 328.1867 1300.0 360.2126 1000.0 441.2704 7300.0 455.286 1700.0 483.3427 2700.0 536.3438 2300.0 554.354 4300.0 572.3654 1500.0 578.4155 1900.0 582.4095 4300.0 596.4261 5600.0 653.4238 2700.0 663.4673 1700.0 667.4387 3000.0 671.4334 28000.0 672.4361 4700.0 677.4832 2400.0 681.4806 2400.0 685.4485 23000.0 686.4521 4000.0 695.4952 4400.0 696.4973 1300.0 697.4373 2100.0 699.4639 7000.0 700.467 3800.0 792.512 2200.0 794.5607 1900.0 796.5059 1600.0 810.5235 2100.0 824.5389 1200.0 863.5828 1400.0 891.5816 2800.0 909.5914 4500.0 923.6057 4800.0 924.6069 1400.0 937.6178 1300.0 994.6794 3500.0 1004.6641 9100.0 1005.6676 3100.0 1022.6744 54000.0 1023.677 16000.0 1024.6783 2000.0 1033.6948 1700.0 1036.6884 5500.0 1037.6896 1200.0 1050.7065 7200.0 1051.709 6100.0 1052.709 1900.0 1091.6101 1100.0 1108.6212 1300.0 1109.623 1600.0 END IONS BEGIN IONS SCANS=549 PEPMASS=1109.7795 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 87.0918 1300.0 227.1748 1900.0 326.2433 1000.0 328.1858 1300.0 360.2116 1200.0 370.2578 1000.0 441.2704 8300.0 459.2805 1700.0 465.3318 2300.0 483.3424 3400.0 501.3531 1100.0 536.3433 1800.0 554.3544 5500.0 555.3566 1100.0 560.4052 1500.0 572.3644 2200.0 578.416 4400.0 596.4261 10000.0 597.4299 1700.0 649.4263 1000.0 659.4736 1200.0 667.4377 6500.0 677.4844 4300.0 685.4485 68000.0 686.4516 12000.0 695.494 9100.0 696.497 1300.0 699.4652 1300.0 711.4531 2900.0 792.5094 3100.0 808.5789 2800.0 810.5222 2400.0 824.5369 1300.0 877.5995 1700.0 905.5953 4800.0 906.5974 1400.0 923.6054 9400.0 924.6082 2300.0 937.6208 2300.0 990.6828 1000.0 991.6711 1400.0 1000.6674 1100.0 1008.6951 6600.0 1018.6788 17000.0 1019.6816 5000.0 1022.6722 1300.0 1024.681 1300.0 1036.6895 86000.0 1037.6927 23000.0 1038.6926 2600.0 END IONS BEGIN IONS SCANS=550 PEPMASS=1109.7794 CHARGE=1 COLLISION_ENERGY=0.0 91.5061 1700.0 441.2702 4600.0 469.3025 1000.0 479.3474 1200.0 483.342 1000.0 497.3575 1900.0 554.3549 2300.0 555.3578 1300.0 578.415 1300.0 592.4304 1300.0 596.4258 2900.0 610.4414 3800.0 611.4446 2000.0 667.4384 3200.0 668.4396 1300.0 685.4485 33000.0 686.4518 16000.0 687.4557 2200.0 691.4975 1800.0 709.5106 6400.0 710.5115 1700.0 713.4796 13000.0 714.4817 1500.0 725.4686 3200.0 726.4721 1200.0 806.5252 1600.0 822.5931 1400.0 824.5377 1200.0 838.5529 3000.0 891.6132 1000.0 919.611 2300.0 920.6126 1300.0 933.6224 1200.0 937.62 4100.0 938.6235 3200.0 951.6363 4300.0 952.6382 1200.0 1018.676 1200.0 1022.7077 1900.0 1023.7114 1700.0 1032.6962 5800.0 1033.6989 4200.0 1034.6971 1600.0 1036.6866 1700.0 1046.7125 1200.0 1050.7052 26000.0 1051.7083 22000.0 1052.7111 6300.0 1064.7211 14000.0 1065.7238 3700.0 1090.6143 2900.0 1091.6156 4800.0 1108.6219 4600.0 1109.6266 7900.0 1110.6322 1800.0 END IONS BEGIN IONS SCANS=551 PEPMASS=1109.7813 CHARGE=1 COLLISION_ENERGY=0.0 441.27 4000.0 465.3309 1200.0 483.3431 1800.0 554.3545 2000.0 578.4164 2800.0 596.4255 4600.0 667.4374 2300.0 677.4833 1100.0 685.4485 24000.0 686.452 5300.0 695.4958 3500.0 709.5093 2200.0 711.4508 1000.0 713.4797 9300.0 725.4671 1200.0 810.5208 1200.0 838.5519 1800.0 905.5956 2000.0 923.6052 4600.0 937.6219 1000.0 951.6396 2100.0 1008.6921 1700.0 1018.6775 4900.0 1019.6788 1500.0 1022.6727 1300.0 1032.6907 1600.0 1036.6884 23000.0 1037.6899 5700.0 1046.7091 1400.0 1050.7057 3800.0 1051.7087 2900.0 1064.7208 12000.0 1065.7245 2600.0 1109.6237 1300.0 END IONS BEGIN IONS SCANS=552 PEPMASS=1109.7828 CHARGE=1 COLLISION_ENERGY=0.0 374.2284 1700.0 455.2861 3400.0 469.3014 1200.0 473.296 1900.0 479.348 1700.0 497.3574 3200.0 568.3693 3000.0 586.3791 2100.0 592.4303 2000.0 600.3957 1200.0 610.4417 5800.0 667.4359 1800.0 681.4543 2000.0 685.4489 3700.0 691.4993 1600.0 699.4643 40000.0 700.4678 5400.0 709.5107 5900.0 723.5259 1000.0 739.4847 2900.0 838.5524 5200.0 852.5681 1100.0 951.6368 5400.0 952.6359 1600.0 1022.6707 1300.0 1032.6932 2200.0 1033.698 1200.0 1036.6801 1200.0 1036.7233 3700.0 1046.7115 3900.0 1050.703 1700.0 1051.7014 1700.0 1064.7213 35000.0 1065.7244 10000.0 1091.6111 1900.0 1108.6229 1000.0 1109.6252 2600.0 END IONS BEGIN IONS SCANS=553 PEPMASS=1115.6989 CHARGE=1 COLLISION_ENERGY=0.0 91.5082 1400.0 117.0912 2300.0 175.1326 1300.0 261.1266 1400.0 332.2002 1100.0 352.2482 1100.0 360.1947 6100.0 441.2704 1300.0 457.2115 1200.0 475.2211 8800.0 481.2738 1800.0 483.3436 1300.0 499.2826 3200.0 517.2935 3000.0 524.3079 1200.0 542.2994 1000.0 570.2966 2300.0 572.3653 1100.0 588.3043 3900.0 594.3588 1200.0 596.4272 3900.0 612.3664 3000.0 630.3773 5500.0 637.3917 1100.0 655.4036 1500.0 685.4486 3500.0 693.4232 1400.0 701.3889 8100.0 711.4362 3500.0 719.4 58000.0 720.4024 7700.0 729.4458 10000.0 730.4499 1300.0 765.4995 1000.0 808.4528 1200.0 826.4601 4200.0 842.5303 3300.0 844.4737 3900.0 858.4875 1100.0 911.5516 1200.0 921.538 1200.0 939.5464 7200.0 940.5493 1200.0 953.5596 1100.0 957.5565 13000.0 958.5593 2500.0 971.575 1800.0 988.6314 3800.0 1006.642 13000.0 1007.6455 3000.0 1024.6381 1400.0 1034.6193 2100.0 1042.646 9100.0 1043.65 2400.0 1052.6305 26000.0 1053.6334 6500.0 1070.641 120000.0 1071.644 32000.0 1072.6414 3200.0 1114.6101 1400.0 1115.6053 1100.0 END IONS BEGIN IONS SCANS=554 PEPMASS=1118.6412 CHARGE=1 COLLISION_ENERGY=0.0 739.3688 1100.0 987.5482 1500.0 1074.5789 1900.0 1075.5817 2800.0 1082.6179 3800.0 1099.6324 4600.0 1100.6304 25000.0 1101.6333 4400.0 1117.6426 12000.0 1118.6415 69000.0 1119.6432 15000.0 END IONS BEGIN IONS SCANS=555 PEPMASS=1118.6413 CHARGE=1 COLLISION_ENERGY=0.0 739.3688 1100.0 987.5482 1500.0 1074.5789 1900.0 1075.5817 2800.0 1082.6179 3800.0 1099.6324 4600.0 1100.6304 25000.0 1101.6333 4400.0 1117.6426 12000.0 1118.6415 69000.0 1119.6432 15000.0 END IONS BEGIN IONS SCANS=556 PEPMASS=1120.7595 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 64000.0 86.0842 2000.0 112.0871 2100.0 117.0913 1300.0 227.1754 1000.0 423.2601 1700.0 441.2708 6200.0 455.2863 1400.0 459.2802 1100.0 483.3421 2600.0 508.3489 1400.0 536.3439 1400.0 554.3535 3300.0 572.3657 1300.0 578.416 1900.0 596.4258 6400.0 667.4391 3300.0 677.4844 3900.0 685.4485 42000.0 686.4517 5400.0 695.4943 5400.0 699.4641 3600.0 711.4547 2400.0 792.5112 1600.0 808.5781 2500.0 810.5223 2100.0 877.6019 1200.0 905.5955 2600.0 923.6052 6400.0 924.6083 1600.0 937.6215 1100.0 991.6696 1200.0 1000.6663 1100.0 1008.6956 3900.0 1018.679 11000.0 1019.6814 2400.0 1036.6898 59000.0 1037.6929 16000.0 END IONS BEGIN IONS SCANS=557 PEPMASS=1120.7584 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 48000.0 85.0776 2900.0 85.0782 1800.0 86.0839 3600.0 86.0965 2000.0 227.1754 1000.0 328.1862 1100.0 352.2469 1300.0 360.2121 1500.0 370.2581 1000.0 423.2595 1400.0 441.2702 8600.0 459.2812 1100.0 465.3314 3000.0 483.342 3100.0 508.3495 1500.0 526.3593 1100.0 536.3438 1800.0 554.3538 4900.0 572.364 2400.0 578.4162 3400.0 596.4263 9000.0 659.4729 1300.0 667.4385 5200.0 677.4844 4200.0 685.4485 63000.0 686.4514 7400.0 693.4424 1500.0 695.4957 7200.0 696.4961 1200.0 709.5113 1200.0 711.4526 2800.0 792.5107 1900.0 808.5773 2200.0 810.5229 3300.0 824.5374 1500.0 877.5992 1600.0 905.5967 4700.0 923.6048 8600.0 924.6091 1200.0 937.6215 2300.0 1008.6966 5100.0 1009.6974 1300.0 1018.6794 12000.0 1019.6824 2900.0 1036.6897 74000.0 1037.6921 20000.0 END IONS BEGIN IONS SCANS=558 PEPMASS=1120.7607 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 48000.0 86.0843 1900.0 99.0918 2200.0 360.2123 1100.0 441.2702 5600.0 465.332 1300.0 483.3425 2900.0 501.3544 1000.0 536.3441 1500.0 554.3539 3600.0 572.3648 1500.0 578.4147 2600.0 596.4261 7400.0 597.4301 1400.0 667.4382 4900.0 677.485 2300.0 685.4486 48000.0 686.4521 6500.0 693.4423 1100.0 695.4946 6300.0 711.4521 3100.0 792.51 1400.0 808.5787 2100.0 810.5219 3300.0 824.54 1000.0 877.6018 1600.0 905.5949 4300.0 919.6108 1100.0 923.605 7500.0 924.6082 1300.0 937.6211 1500.0 991.6695 1200.0 1008.6949 4500.0 1018.679 12000.0 1019.683 2500.0 1022.6735 3400.0 1036.6898 72000.0 1037.6936 17000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=1120.7589 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 20000.0 227.1753 1200.0 441.2704 3400.0 465.3319 1000.0 483.3419 1500.0 554.3541 1500.0 572.3641 1200.0 578.4149 1700.0 596.4266 3700.0 667.4385 3400.0 677.4828 2000.0 685.4486 33000.0 686.4517 4100.0 695.4942 3100.0 711.4526 1800.0 792.5112 1300.0 810.5201 1600.0 905.5974 3000.0 923.6058 5200.0 937.6188 1000.0 1008.694 2400.0 1018.6796 7000.0 1019.6806 1700.0 1022.6757 2600.0 1036.6898 51000.0 1037.6929 10000.0 END IONS BEGIN IONS SCANS=560 PEPMASS=1120.7599 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 659.472 1100.0 667.4379 3500.0 671.4349 1700.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=561 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 659.472 1100.0 667.4379 3500.0 671.4349 1700.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=562 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 659.472 1100.0 667.4379 3500.0 671.4349 1700.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=563 PEPMASS=1120.7605 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 659.472 1100.0 667.4379 3500.0 671.4349 1700.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=564 PEPMASS=1120.7594 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 21000.0 99.0921 1500.0 423.2606 1300.0 441.2701 4900.0 483.3427 1800.0 536.3431 1200.0 554.3531 2800.0 572.3656 1400.0 578.4151 2500.0 596.4252 6100.0 659.472 1100.0 667.4379 3500.0 671.4349 1700.0 677.4854 2600.0 685.4486 43000.0 686.4518 5700.0 695.4946 6400.0 699.4623 2200.0 711.4533 1900.0 792.5112 1500.0 808.5797 2000.0 810.5222 1800.0 824.5395 1100.0 877.6 1700.0 905.5953 4300.0 923.6058 6000.0 924.6085 1200.0 1008.6955 4500.0 1018.679 10000.0 1019.6827 1800.0 1022.671 3400.0 1036.6897 73000.0 1037.6927 17000.0 1050.7062 1600.0 END IONS BEGIN IONS SCANS=565 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=566 PEPMASS=1120.7595 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=567 PEPMASS=1120.7601 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=568 PEPMASS=1120.759 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 15000.0 441.2703 1500.0 554.3534 1200.0 578.4155 1500.0 596.4263 2900.0 667.4377 1900.0 677.4833 1400.0 685.4489 15000.0 686.4521 2600.0 695.4927 2200.0 792.5093 1200.0 905.5928 1800.0 923.6061 2600.0 1008.6923 1900.0 1018.6782 5200.0 1019.681 1400.0 1022.6682 1500.0 1036.6895 27000.0 1037.6921 7100.0 END IONS BEGIN IONS SCANS=569 PEPMASS=1120.7598 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 20000.0 91.508 1200.0 441.2703 2800.0 483.3417 1900.0 554.3541 2800.0 578.4152 1200.0 596.4257 3200.0 667.4375 2000.0 677.4828 1000.0 685.4484 21000.0 686.4514 3400.0 695.4937 3000.0 905.5936 1500.0 923.6053 4200.0 924.6049 1200.0 1008.6933 1800.0 1018.6779 5400.0 1019.6815 1700.0 1036.6897 28000.0 1037.6918 6800.0 END IONS BEGIN IONS SCANS=570 PEPMASS=1121.7664 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 668.4412 1100.0 679.4276 2100.0 681.4793 12000.0 682.4821 1700.0 685.4487 88000.0 686.4526 11000.0 695.4932 1200.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=571 PEPMASS=1121.7793 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 668.4412 1100.0 679.4276 2100.0 681.4793 12000.0 682.4821 1700.0 685.4487 88000.0 686.4526 11000.0 695.4932 1200.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=572 PEPMASS=1121.7774 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1900.0 86.0964 1400.0 97.0761 1100.0 99.0916 25000.0 100.0868 3200.0 101.0709 6900.0 101.1072 2700.0 115.0751 1000.0 117.0908 2500.0 175.1323 1400.0 227.1748 1800.0 229.1178 1400.0 245.1851 1300.0 326.2434 1500.0 328.1862 1500.0 338.2317 1400.0 342.2015 1000.0 360.2121 1800.0 423.2595 1500.0 441.2705 11000.0 442.2723 1000.0 451.3162 2600.0 455.2854 1400.0 459.28 2000.0 469.3268 4700.0 487.3373 1300.0 508.3496 2600.0 536.3451 2400.0 546.3898 1300.0 554.3538 6900.0 564.4 4900.0 572.3641 2600.0 582.4101 13000.0 583.4139 1500.0 586.3798 1200.0 645.4576 1300.0 649.4282 1000.0 663.4684 5300.0 667.4389 7000.0 668.4412 1100.0 679.4276 2100.0 681.4793 12000.0 682.4821 1700.0 685.4487 88000.0 686.4526 11000.0 695.4932 1200.0 697.4371 4600.0 751.4868 1300.0 778.495 3400.0 792.5117 1300.0 794.5616 4000.0 796.5067 4200.0 810.5223 1900.0 863.5835 3800.0 873.5726 1300.0 891.579 7600.0 905.5952 1000.0 909.5896 14000.0 910.5927 1600.0 923.6069 3100.0 976.6692 1000.0 977.653 1100.0 986.6548 1300.0 994.6794 7000.0 995.6821 1500.0 1004.6632 19000.0 1005.6672 4000.0 1022.6744 110000.0 1023.6774 23000.0 1024.6823 2300.0 1036.692 1000.0 END IONS BEGIN IONS SCANS=573 PEPMASS=1122.7318 CHARGE=1 COLLISION_ENERGY=0.0 82.0654 1300.0 86.0964 3200.0 91.5061 1700.0 99.0916 13000.0 100.0869 7000.0 100.0949 1300.0 101.0709 33000.0 101.1073 24000.0 101.1094 1100.0 114.1024 1600.0 117.0911 2700.0 175.1322 1400.0 227.1752 3200.0 229.1178 1200.0 245.1854 1800.0 326.2428 3000.0 328.1856 3000.0 338.2315 3000.0 342.2018 1900.0 356.2428 2400.0 360.2123 3800.0 395.2642 2400.0 423.2597 3800.0 441.27 23000.0 442.274 3300.0 451.3155 5000.0 455.285 2400.0 459.2802 4500.0 469.3266 8200.0 470.3296 1400.0 487.337 3100.0 508.3485 3800.0 526.3588 3000.0 536.343 4700.0 546.389 2500.0 554.3541 11000.0 554.4166 1400.0 555.357 1400.0 564.3997 8400.0 565.4036 1700.0 566.3431 1300.0 572.3645 5300.0 573.3666 1300.0 582.4105 21000.0 583.4131 4500.0 584.3517 2400.0 586.3799 2100.0 645.4573 2700.0 649.4277 2200.0 651.4302 1400.0 663.4685 8900.0 664.4714 2300.0 667.4375 16000.0 668.4404 2800.0 679.4257 2300.0 681.4787 19000.0 682.4818 4000.0 685.4485 150000.0 686.4513 37000.0 687.4547 3300.0 695.4928 2900.0 697.437 8000.0 698.4418 1500.0 751.4845 1800.0 760.4867 1300.0 778.4958 5700.0 779.4989 1300.0 792.5117 2400.0 793.5114 1200.0 794.5616 6300.0 795.5649 1900.0 796.5067 8100.0 797.5093 1400.0 808.578 1200.0 810.5215 3000.0 863.5836 5800.0 864.5772 1700.0 873.5687 1700.0 891.5793 12000.0 892.5812 4500.0 905.5963 1700.0 907.6462 1200.0 909.5894 22000.0 910.5931 8200.0 911.5958 1200.0 923.605 4600.0 924.6078 1600.0 976.6682 1900.0 977.6544 1800.0 986.6527 1900.0 994.6787 13000.0 995.681 3600.0 1004.6635 35000.0 1005.6657 13000.0 1006.6699 1900.0 1008.6579 1100.0 1022.6736 180000.0 1023.6771 74000.0 1024.679 8900.0 END IONS BEGIN IONS SCANS=574 PEPMASS=1122.7316 CHARGE=1 COLLISION_ENERGY=0.0 86.0967 2300.0 87.0442 1600.0 99.0916 8000.0 100.0869 4800.0 100.0952 1200.0 101.0709 23000.0 101.1072 10000.0 115.0752 1600.0 117.0908 4600.0 133.0858 1100.0 175.1324 2200.0 177.1118 1100.0 227.1756 2700.0 229.1178 1400.0 245.1848 2100.0 326.2429 2100.0 328.1859 2800.0 338.2319 3400.0 342.2014 1600.0 356.2428 2000.0 360.2125 2300.0 395.2641 1500.0 423.26 3200.0 441.2702 19000.0 442.2738 2700.0 451.3159 4700.0 455.2852 1700.0 459.2809 3400.0 469.3264 6400.0 473.296 1100.0 487.3373 1600.0 508.3482 3500.0 526.3593 2800.0 536.3442 3600.0 546.3893 3000.0 554.3541 10000.0 555.3575 1100.0 564.4 8100.0 565.4028 1100.0 568.369 1100.0 572.3641 4600.0 582.4102 19000.0 583.4133 4300.0 584.354 1500.0 586.3804 2100.0 639.4431 1100.0 645.4575 1500.0 651.4326 1400.0 663.468 6500.0 664.4713 1900.0 667.4379 11000.0 668.4418 3300.0 679.4268 2400.0 681.4785 16000.0 682.4823 4300.0 685.4486 120000.0 686.4518 31000.0 687.4534 2300.0 695.4953 1900.0 697.4378 6800.0 698.4402 1500.0 751.482 1800.0 760.4847 1100.0 764.5154 1300.0 778.4955 4900.0 792.5119 1800.0 794.5616 5100.0 795.5652 1400.0 796.5062 6600.0 797.5089 1600.0 808.5792 1000.0 810.5206 2100.0 845.5738 1100.0 863.584 4400.0 864.5697 1400.0 873.5704 1500.0 891.5789 9200.0 892.5796 2800.0 905.5933 1100.0 909.5898 19000.0 910.5938 6000.0 923.6054 5200.0 924.6082 1500.0 976.6688 1600.0 977.6528 1800.0 986.6531 2300.0 994.679 12000.0 995.6823 4000.0 1004.6631 27000.0 1005.6669 12000.0 1006.6686 1300.0 1022.6741 140000.0 1023.6769 61000.0 1024.6794 7500.0 END IONS BEGIN IONS SCANS=575 PEPMASS=1123.7554 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 7300.0 89.0601 1800.0 101.0713 3700.0 103.0867 1500.0 115.0755 1700.0 117.0911 4900.0 133.0856 2100.0 175.1327 3400.0 177.112 1400.0 190.1195 1400.0 233.1744 1400.0 342.2019 1300.0 360.2123 1200.0 441.2695 2000.0 451.3163 1400.0 455.2861 4600.0 469.3275 2400.0 564.3995 2800.0 568.3694 1700.0 582.4113 5500.0 583.4137 1500.0 667.4377 1500.0 668.4409 1000.0 677.4834 1900.0 681.453 1900.0 681.4786 1600.0 685.4485 14000.0 686.4515 9400.0 687.4535 1700.0 695.4935 3200.0 697.4361 1600.0 699.4645 21000.0 700.4676 3600.0 792.5074 1200.0 810.5233 2200.0 877.5995 1000.0 905.5936 2100.0 910.5923 1900.0 923.6044 4500.0 924.6062 1400.0 995.6843 1100.0 1004.6617 1900.0 1005.668 2400.0 1006.6687 1000.0 1008.6943 2600.0 1018.6801 3800.0 1022.674 12000.0 1023.6776 20000.0 1024.6787 3900.0 1036.6896 29000.0 1037.693 7000.0 1038.6941 1000.0 END IONS BEGIN IONS SCANS=576 PEPMASS=1123.7587 CHARGE=1 COLLISION_ENERGY=0.0 85.0761 2700.0 86.0965 1100.0 87.0918 9900.0 89.0599 1000.0 91.5061 1700.0 101.0708 1600.0 117.0907 1800.0 175.1323 1300.0 227.1749 1700.0 326.2428 1200.0 328.1873 1100.0 360.2115 1200.0 370.2589 1100.0 441.2702 9200.0 459.2802 1900.0 465.3317 1900.0 483.342 3900.0 508.3491 1600.0 536.3448 2100.0 554.3536 4600.0 572.3647 1800.0 578.4155 3300.0 582.4108 1100.0 596.4261 8900.0 597.4279 1100.0 659.4742 1200.0 667.4385 5900.0 677.4845 2800.0 685.4487 61000.0 686.4514 12000.0 687.4531 2000.0 693.4422 1200.0 695.4944 7400.0 696.499 1100.0 711.452 3700.0 712.4561 1000.0 792.5126 2900.0 808.578 2200.0 810.5211 2600.0 824.5365 1800.0 877.6005 2700.0 905.5957 5000.0 923.605 9100.0 924.6099 2500.0 937.6215 2200.0 991.6695 1000.0 1008.6948 5000.0 1009.6991 1100.0 1018.679 13000.0 1019.6833 4000.0 1020.685 1300.0 1022.6727 2900.0 1023.6772 4900.0 1024.6768 1600.0 1036.6896 75000.0 1037.6936 21000.0 1038.6967 4300.0 1039.6962 2400.0 END IONS BEGIN IONS SCANS=577 PEPMASS=1123.7589 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 2000.0 86.0968 1700.0 87.0921 7400.0 91.5062 1200.0 227.1754 1300.0 328.1858 1000.0 360.2128 1200.0 423.2603 1200.0 441.2705 6600.0 459.2817 1200.0 465.3329 1800.0 483.3424 2300.0 508.3491 1500.0 536.3444 1800.0 554.3542 3600.0 572.3656 1400.0 578.4149 3200.0 596.4258 7200.0 597.4314 1000.0 667.4379 5800.0 677.4852 2300.0 685.4485 45000.0 686.4523 7900.0 687.4551 1800.0 695.4944 5300.0 696.4973 1400.0 699.4655 2600.0 711.4524 2700.0 792.5092 2300.0 808.5784 1800.0 810.5217 1900.0 824.5381 1400.0 877.5989 1200.0 905.5943 4000.0 923.6046 6600.0 924.609 1900.0 937.6187 1700.0 1008.6933 3500.0 1018.6796 10000.0 1019.6805 2700.0 1022.6737 1700.0 1023.6757 2000.0 1036.6896 61000.0 1037.693 17000.0 1038.6965 3600.0 1039.6985 1400.0 1050.7075 2800.0 END IONS BEGIN IONS SCANS=578 PEPMASS=1123.8008 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 1300.0 328.1864 1000.0 360.2129 1400.0 366.2636 1300.0 441.2702 6700.0 459.2814 1000.0 479.3477 2000.0 497.3575 2500.0 508.3483 1200.0 536.3441 1600.0 554.3541 3600.0 572.3652 1000.0 592.4312 1400.0 596.4259 1500.0 610.4421 6000.0 667.439 5600.0 668.4401 1300.0 685.4486 49000.0 686.4522 7800.0 691.5001 2200.0 709.5103 6400.0 725.4681 1900.0 806.5262 2000.0 822.5928 2000.0 824.5375 2200.0 825.5406 1000.0 891.6147 1200.0 905.5943 1500.0 919.6105 2400.0 937.6213 6900.0 938.6246 2100.0 951.6354 1200.0 1018.6801 3000.0 1022.7115 3600.0 1032.6943 7300.0 1033.6932 1800.0 1036.6895 11000.0 1037.6941 2100.0 1038.6946 1000.0 1050.7052 40000.0 1051.709 11000.0 END IONS BEGIN IONS SCANS=579 PEPMASS=1133.7543 CHARGE=1 COLLISION_ENERGY=0.0 95.0608 1000.0 111.0919 120000.0 112.0871 170000.0 112.095 5600.0 113.0905 3100.0 113.1076 2900.0 441.2707 3800.0 469.3271 1700.0 536.3428 1200.0 554.3545 1900.0 564.3995 1900.0 572.3641 1100.0 582.4097 4100.0 583.4139 1200.0 663.4687 1200.0 667.4391 2700.0 681.4789 4100.0 685.4484 30000.0 686.4521 5600.0 697.4373 2000.0 796.5051 1200.0 891.5781 2400.0 909.587 3700.0 994.6796 2200.0 1004.6627 8400.0 1005.6675 2900.0 1022.6739 34000.0 1023.6765 11000.0 1024.6798 1700.0 END IONS BEGIN IONS SCANS=580 PEPMASS=1134.7753 CHARGE=1 COLLISION_ENERGY=0.0 82.0657 1300.0 85.0764 13000.0 91.5081 1600.0 99.0919 4400.0 111.0917 1400.0 112.0871 6500.0 455.2863 2000.0 568.3684 1300.0 596.4258 2600.0 685.4486 5900.0 686.4514 1100.0 695.4935 1000.0 699.4642 12000.0 700.4666 1900.0 709.5103 1900.0 711.4525 1000.0 923.6027 1600.0 937.6208 2600.0 1018.6756 1300.0 1022.6707 1500.0 1022.7155 1100.0 1023.6709 1600.0 1032.6956 2200.0 1036.6887 7900.0 1050.705 17000.0 1051.7079 4500.0 END IONS BEGIN IONS SCANS=581 PEPMASS=1134.7748 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 35000.0 86.0841 1500.0 91.508 1700.0 441.27 4100.0 479.3476 1100.0 497.3579 1700.0 536.3439 1300.0 554.3526 2000.0 592.4308 1200.0 610.4418 3100.0 667.4383 3200.0 685.4482 26000.0 686.4515 3500.0 691.5005 1500.0 709.5112 2700.0 725.4684 1200.0 806.5248 1500.0 822.5917 1400.0 824.5359 1200.0 919.6116 2000.0 937.6212 4400.0 951.6329 1200.0 1018.6757 1200.0 1022.7082 2400.0 1032.6935 3900.0 1036.6881 2300.0 1050.7056 24000.0 1051.7087 6400.0 END IONS BEGIN IONS SCANS=582 PEPMASS=1135.7866 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=583 PEPMASS=1135.7953 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=584 PEPMASS=1135.7954 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=585 PEPMASS=1135.7964 CHARGE=1 COLLISION_ENERGY=0.0 82.0655 1500.0 85.0765 1500.0 87.0921 1000.0 99.092 13000.0 100.0872 1500.0 101.0713 1700.0 441.2703 6100.0 465.3327 1200.0 483.342 2000.0 501.3545 1300.0 536.3439 1900.0 554.3553 4000.0 572.3654 1200.0 578.4167 2800.0 596.426 7600.0 597.4295 1200.0 667.4381 5800.0 677.4836 2700.0 685.4484 49000.0 686.4511 7500.0 695.4943 7800.0 696.4988 1700.0 711.4532 1700.0 792.5106 2000.0 808.5803 1300.0 810.52 2500.0 824.5349 1100.0 877.6021 1100.0 905.5959 3100.0 923.6069 5200.0 924.6105 2400.0 937.6204 1700.0 1008.6935 3800.0 1018.6788 10000.0 1019.6823 2900.0 1036.6895 61000.0 1037.6925 15000.0 1038.6949 1600.0 1050.7039 1600.0 1051.7083 1500.0 END IONS BEGIN IONS SCANS=586 PEPMASS=1136.7463 CHARGE=1 COLLISION_ENERGY=0.0 86.0965 1600.0 99.0916 7100.0 100.087 1800.0 101.0709 12000.0 101.1076 4800.0 112.0869 1300.0 114.1025 1400.0 227.175 1400.0 326.2431 2000.0 328.1862 1500.0 342.202 1900.0 352.2473 2900.0 360.2124 1800.0 370.2582 1400.0 423.2592 1400.0 441.2701 12000.0 442.2733 1800.0 455.2852 1400.0 459.2804 1900.0 465.3313 3000.0 483.3425 4600.0 501.3521 1200.0 508.3502 1400.0 526.3593 1400.0 536.3439 2500.0 554.3536 7000.0 555.3574 1300.0 560.4056 1600.0 568.3699 1300.0 572.3642 2800.0 578.4155 5800.0 586.3805 1300.0 596.4261 13000.0 597.4291 2800.0 639.4444 1500.0 659.4731 1100.0 667.4378 8900.0 668.4419 2200.0 677.4838 4600.0 678.4872 1300.0 685.4486 86000.0 686.4517 21000.0 687.4536 1900.0 693.4417 2000.0 695.4943 11000.0 696.4971 2700.0 699.4644 2200.0 711.453 3600.0 778.5327 1100.0 792.5132 3800.0 808.579 3600.0 810.5214 4500.0 811.5259 1400.0 824.537 1200.0 877.6005 3000.0 905.5952 7100.0 906.6002 2900.0 923.6055 13000.0 924.6082 4800.0 937.6222 3500.0 938.6241 1400.0 991.6706 1400.0 1000.67 1200.0 1008.694 8300.0 1009.6996 3100.0 1018.6787 18000.0 1019.6823 9200.0 1036.6895 100000.0 1037.6926 48000.0 1038.6953 6400.0 END IONS BEGIN IONS SCANS=587 PEPMASS=1137.7734 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1000.0 86.0968 1300.0 87.092 8000.0 101.0712 3600.0 101.1074 1100.0 117.0911 1000.0 342.2015 1600.0 352.248 1500.0 441.2701 2900.0 455.2851 4500.0 465.3315 1600.0 483.3418 2700.0 554.3539 1400.0 568.3698 2600.0 578.4149 2600.0 586.3813 1600.0 596.4259 7200.0 597.4299 2500.0 667.4377 1400.0 681.4539 2200.0 685.4484 15000.0 686.4523 8500.0 687.455 2200.0 691.4997 1700.0 693.4411 1100.0 695.4933 1700.0 696.4966 1500.0 699.4643 26000.0 700.4665 5200.0 701.4675 1000.0 709.5095 3800.0 710.5107 1200.0 711.4532 2100.0 806.5256 2200.0 822.5923 1300.0 824.5372 2700.0 891.6124 1400.0 905.5942 1500.0 906.5955 1200.0 919.6097 3100.0 923.605 1800.0 924.6066 2000.0 937.6212 6400.0 938.6227 1700.0 1008.6913 1100.0 1009.6952 1300.0 1018.6799 2600.0 1019.6808 3000.0 1022.7128 2200.0 1032.6946 6100.0 1033.6963 1400.0 1036.6892 14000.0 1037.6932 19000.0 1038.6948 5500.0 1050.7053 29000.0 1051.7083 9600.0 1052.7096 1500.0 END IONS BEGIN IONS SCANS=588 PEPMASS=1137.7748 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1600.0 87.0921 14000.0 117.0912 1000.0 243.1343 1700.0 342.2023 1300.0 352.2483 1200.0 356.2181 1100.0 374.229 1400.0 427.2921 1200.0 455.2857 4200.0 465.3316 2200.0 469.3025 1100.0 473.2969 2000.0 483.3419 3300.0 540.3762 1400.0 560.4053 1200.0 568.3705 3600.0 578.4162 4300.0 586.3807 2300.0 596.4261 7400.0 597.4301 1300.0 659.4749 1300.0 667.4396 1300.0 677.4847 4500.0 681.454 2200.0 685.4489 3200.0 686.4509 2700.0 695.4944 10000.0 696.4985 1200.0 699.4642 56000.0 700.4674 9000.0 709.5105 1100.0 725.4687 3000.0 806.5274 2200.0 824.5367 8100.0 825.5396 1700.0 838.5543 1200.0 919.6125 2200.0 937.6205 9300.0 938.6259 2600.0 951.6374 1300.0 1005.6854 1500.0 1018.6784 3800.0 1019.6834 1100.0 1022.7121 5100.0 1023.715 1700.0 1032.6946 8800.0 1033.6962 2000.0 1036.687 2300.0 1037.694 4700.0 1038.6938 1600.0 1050.7054 65000.0 1051.7085 18000.0 1052.7115 1400.0 END IONS BEGIN IONS SCANS=589 PEPMASS=1137.7744 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 1600.0 87.0921 14000.0 117.0912 1000.0 243.1343 1700.0 342.2023 1300.0 352.2483 1200.0 356.2181 1100.0 374.229 1400.0 427.2921 1200.0 455.2857 4200.0 465.3316 2200.0 469.3025 1100.0 473.2969 2000.0 483.3419 3300.0 540.3762 1400.0 560.4053 1200.0 568.3705 3600.0 578.4162 4300.0 586.3807 2300.0 596.4261 7400.0 597.4301 1300.0 659.4749 1300.0 667.4396 1300.0 677.4847 4500.0 681.454 2200.0 685.4489 3200.0 686.4509 2700.0 695.4944 10000.0 696.4985 1200.0 699.4642 56000.0 700.4674 9000.0 709.5105 1100.0 725.4687 3000.0 806.5274 2200.0 824.5367 8100.0 825.5396 1700.0 838.5543 1200.0 919.6125 2200.0 937.6205 9300.0 938.6259 2600.0 951.6374 1300.0 1005.6854 1500.0 1018.6784 3800.0 1019.6834 1100.0 1022.7121 5100.0 1023.715 1700.0 1032.6946 8800.0 1033.6962 2000.0 1036.687 2300.0 1037.694 4700.0 1038.6938 1600.0 1050.7054 65000.0 1051.7085 18000.0 1052.7115 1400.0 END IONS BEGIN IONS SCANS=590 PEPMASS=1137.7744 CHARGE=1 COLLISION_ENERGY=0.0 86.097 1000.0 87.0921 4900.0 441.2699 5400.0 455.2858 1100.0 479.3467 1600.0 497.3574 2000.0 536.3436 1100.0 554.3547 2100.0 568.3693 1600.0 586.3814 1000.0 592.4302 1700.0 596.4254 1700.0 610.4407 4900.0 667.4387 3500.0 685.4485 35000.0 686.4517 8100.0 691.5004 2500.0 699.465 7700.0 709.51 4000.0 723.5242 1300.0 725.4677 2000.0 806.5238 1600.0 822.5917 1500.0 824.536 1400.0 838.5527 1100.0 919.6105 2700.0 937.621 6200.0 938.6216 1600.0 951.6345 1600.0 1022.7118 2700.0 1032.6943 9100.0 1033.6975 2100.0 1036.6876 1700.0 1037.6924 4500.0 1038.6986 2500.0 1050.7053 52000.0 1051.7086 11000.0 1052.7092 1300.0 1064.7217 2300.0 END IONS BEGIN IONS SCANS=591 PEPMASS=1138.7345 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 240000.0 86.0798 1900.0 86.0968 1900.0 111.0918 1600.0 113.071 1100.0 117.0913 3000.0 128.0819 1000.0 128.1182 10000.0 129.1024 1900.0 129.1217 1800.0 129.1385 1400.0 130.0975 13000.0 130.1337 3800.0 131.0814 97000.0 133.0858 1000.0 175.1328 2000.0 227.1752 1800.0 326.2435 1000.0 328.1863 1000.0 360.2134 1000.0 437.3007 1700.0 441.27 8800.0 455.3104 2300.0 459.2809 1600.0 508.3487 1400.0 526.3586 1700.0 536.3442 2000.0 550.3843 2800.0 554.3538 4700.0 568.3949 7700.0 569.3983 2000.0 572.3656 1500.0 577.5176 1300.0 649.4524 1900.0 667.4376 4300.0 667.4636 6500.0 668.4683 1100.0 683.4213 2400.0 685.4484 57000.0 686.4518 9500.0 687.4552 2000.0 764.4802 1900.0 780.5479 2000.0 782.4911 2800.0 849.5677 2100.0 877.5635 4200.0 895.5739 8400.0 896.5788 1100.0 909.5908 1400.0 972.6384 1400.0 980.6628 3800.0 981.667 1100.0 990.6481 14000.0 991.6484 3300.0 1008.658 74000.0 1009.6609 24000.0 1010.6631 4800.0 1011.6672 1200.0 1138.6836 3500.0 END IONS BEGIN IONS SCANS=592 PEPMASS=1138.7332 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 120000.0 86.0796 1300.0 89.0601 1400.0 111.0918 1100.0 115.0755 2000.0 117.0912 7300.0 128.1185 5200.0 130.0974 8100.0 130.1338 5000.0 131.0815 43000.0 132.085 1000.0 133.0859 1800.0 175.1327 3400.0 233.1743 2100.0 441.2704 3400.0 455.3114 1300.0 554.3535 1700.0 568.3945 3700.0 649.4528 1400.0 667.4409 2200.0 667.4626 2600.0 683.4214 1000.0 685.4485 26000.0 686.452 4400.0 764.4786 1300.0 782.4892 1900.0 877.5641 2300.0 895.5732 4400.0 896.5764 1000.0 980.6613 1900.0 981.6684 1000.0 990.6467 5400.0 991.6499 2000.0 1008.6583 39000.0 1009.662 9400.0 1010.6646 2600.0 1063.5775 1000.0 END IONS BEGIN IONS SCANS=593 PEPMASS=1147.7706 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 3000.0 109.0761 2800.0 124.087 4300.0 125.0822 1000.0 125.1074 15000.0 126.1026 170000.0 127.106 2200.0 441.2703 6400.0 451.3153 1500.0 469.3259 2400.0 536.3442 1100.0 554.3536 3300.0 564.3992 2200.0 572.3643 1100.0 582.4099 5900.0 663.468 2000.0 667.4372 3900.0 681.4795 5600.0 682.4808 1100.0 685.4486 41000.0 686.4526 7600.0 687.4554 1000.0 697.438 2200.0 778.4944 2000.0 794.5628 1700.0 796.5041 2000.0 863.5841 1700.0 891.5792 3800.0 892.5801 1400.0 909.5904 6300.0 923.6041 1500.0 994.6794 3200.0 1004.6634 10000.0 1005.666 3100.0 1022.674 53000.0 1023.6775 13000.0 1024.679 1900.0 END IONS BEGIN IONS SCANS=594 PEPMASS=1147.7708 CHARGE=1 COLLISION_ENERGY=0.0 110.0714 1400.0 111.0919 110000.0 112.0871 170000.0 112.0949 5400.0 113.0903 2000.0 113.1073 1600.0 441.2701 3500.0 483.3422 1400.0 554.3544 2400.0 578.4141 1100.0 596.4258 3700.0 667.4383 2000.0 685.4483 25000.0 686.4515 5700.0 695.4929 3100.0 711.4543 1300.0 792.5107 1400.0 810.5205 1400.0 877.6 1300.0 905.5934 2100.0 923.6052 4200.0 924.608 1100.0 937.6204 1400.0 1008.6937 1700.0 1018.68 4800.0 1019.6815 2000.0 1036.6898 30000.0 1037.6926 10000.0 1038.6949 1600.0 END IONS BEGIN IONS SCANS=595 PEPMASS=1147.7712 CHARGE=1 COLLISION_ENERGY=0.0 110.0714 1400.0 111.0919 110000.0 112.0871 170000.0 112.0949 5400.0 113.0903 2000.0 113.1073 1600.0 441.2701 3500.0 483.3422 1400.0 554.3544 2400.0 578.4141 1100.0 596.4258 3700.0 667.4383 2000.0 685.4483 25000.0 686.4515 5700.0 695.4929 3100.0 711.4543 1300.0 792.5107 1400.0 810.5205 1400.0 877.6 1300.0 905.5934 2100.0 923.6052 4200.0 924.608 1100.0 937.6204 1400.0 1008.6937 1700.0 1018.68 4800.0 1019.6815 2000.0 1036.6898 30000.0 1037.6926 10000.0 1038.6949 1600.0 END IONS BEGIN IONS SCANS=596 PEPMASS=1149.7855 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 56000.0 109.0764 1400.0 111.0919 32000.0 125.1074 2000.0 126.1026 62000.0 127.0866 2500.0 127.0978 2000.0 127.1061 7600.0 127.123 3800.0 128.0818 7700.0 128.1182 220000.0 128.1433 1100.0 129.1021 2300.0 129.1215 2700.0 441.2704 5200.0 442.2729 1400.0 451.3156 1300.0 469.3264 1900.0 487.3371 1100.0 554.3537 2700.0 564.3998 1800.0 572.3645 1100.0 582.4099 4100.0 583.4145 1900.0 663.468 1700.0 664.4714 1100.0 667.4369 3300.0 668.4406 1400.0 669.4437 1000.0 681.4796 4300.0 682.4813 1800.0 685.4485 33000.0 686.4523 12000.0 687.454 2800.0 697.4371 2200.0 778.4927 1400.0 794.5621 1000.0 796.5041 1600.0 863.5842 1100.0 891.5792 3100.0 892.5816 1400.0 909.59 4200.0 910.5945 2700.0 911.5942 1100.0 923.6049 1100.0 994.6803 2500.0 1004.6629 5800.0 1005.6676 4600.0 1006.6672 1900.0 1022.6739 37000.0 1023.6772 26000.0 1024.6799 12000.0 END IONS BEGIN IONS SCANS=597 PEPMASS=1149.7855 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 36000.0 91.5081 1600.0 109.0763 1300.0 111.0919 24000.0 125.1072 1400.0 126.1026 45000.0 127.0866 1300.0 127.0977 2400.0 127.1059 6800.0 127.123 3000.0 128.0817 7400.0 128.1182 150000.0 129.1022 2100.0 129.1216 2300.0 441.2703 3600.0 469.3275 1400.0 554.3537 1700.0 564.4001 1200.0 582.4107 3500.0 583.4144 1000.0 663.4669 1300.0 667.4385 1700.0 668.4417 1100.0 681.4796 2500.0 682.4817 1300.0 685.4485 22000.0 686.4514 10000.0 687.4541 3000.0 697.4376 1100.0 891.5783 1700.0 909.5897 3700.0 910.5934 2500.0 994.677 1600.0 995.6761 1000.0 1004.662 4400.0 1005.6671 3000.0 1006.6694 1300.0 1022.6738 26000.0 1023.6772 16000.0 1024.6803 7700.0 END IONS BEGIN IONS SCANS=598 PEPMASS=1149.8129 CHARGE=1 COLLISION_ENERGY=0.0 82.0656 1000.0 99.092 8000.0 100.0875 1400.0 111.0919 1400.0 112.0872 2500.0 114.1028 1400.0 126.1027 1700.0 128.1183 2500.0 243.1339 1300.0 352.2476 1000.0 374.2289 1800.0 455.2858 3100.0 465.3331 1900.0 473.2977 1700.0 483.3423 2600.0 540.374 1100.0 560.4066 1300.0 568.3713 4100.0 578.4165 2800.0 586.382 1900.0 596.4257 6800.0 671.4324 3000.0 677.4846 3800.0 681.4543 1600.0 685.4503 1900.0 695.4952 7000.0 699.4644 47000.0 700.4675 5100.0 709.511 1300.0 725.4698 1800.0 806.5265 1800.0 824.5375 5600.0 919.6111 2500.0 937.6214 8000.0 951.639 1000.0 1018.677 3000.0 1022.6717 2400.0 1022.7193 4000.0 1023.6735 2100.0 1032.6953 7500.0 1033.6995 1300.0 1036.6896 1700.0 1037.6931 1400.0 1050.7059 62000.0 1051.7084 12000.0 1052.7125 1400.0 END IONS BEGIN IONS SCANS=599 PEPMASS=1149.8115 CHARGE=1 COLLISION_ENERGY=0.0 82.0656 1600.0 99.092 6700.0 111.0917 1300.0 112.0872 3400.0 114.1027 1300.0 227.1753 1300.0 366.2631 1300.0 384.2746 1300.0 423.2603 1000.0 441.2706 6200.0 479.3474 1200.0 497.3582 3100.0 508.3481 1200.0 536.3427 1400.0 554.3543 3200.0 572.3645 1700.0 592.4311 1700.0 610.4423 7300.0 667.4388 5600.0 668.4415 1300.0 685.4488 53000.0 686.4519 7400.0 691.4977 1200.0 709.5103 8300.0 725.4697 2400.0 806.5242 1400.0 822.5934 1800.0 824.5378 3500.0 891.6153 1700.0 892.6022 1000.0 919.6116 2800.0 937.6216 7700.0 938.6225 1700.0 951.638 2100.0 1018.6798 2400.0 1022.7101 4500.0 1032.6942 8200.0 1033.6958 1400.0 1036.6859 1800.0 1037.6897 1900.0 1050.7053 51000.0 1051.7081 11000.0 END IONS BEGIN IONS SCANS=600 PEPMASS=1149.8696 CHARGE=3 COLLISION_ENERGY=0.0 203.0812 1300.0 206.1285 1500.0 211.1441 3800.0 212.1027 1700.0 213.0868 20000.0 214.0903 2400.0 218.1134 2700.0 224.1027 1300.0 230.1133 3800.0 240.1705 5400.0 242.1493 1800.0 247.1076 1100.0 252.0976 1900.0 252.1338 8100.0 253.1369 1100.0 268.1652 10000.0 270.1079 6600.0 270.1447 3100.0 274.118 1600.0 275.102 12000.0 276.1059 1800.0 284.1236 1100.0 288.1372 1300.0 299.1393 1000.0 303.1118 1400.0 316.165 5000.0 328.1868 1400.0 331.1971 3200.0 337.1862 4900.0 338.1901 1000.0 345.1558 1400.0 352.1973 1400.0 355.197 15000.0 356.201 3200.0 358.1396 4500.0 359.1427 1000.0 360.1916 1300.0 365.1812 2900.0 370.2083 1900.0 380.1928 1700.0 383.1921 14000.0 384.195 2900.0 387.2049 1100.0 388.1863 23000.0 388.1997 1200.0 389.19 4500.0 398.203 2000.0 403.1609 1000.0 414.2025 1100.0 416.1958 2600.0 423.2233 9100.0 424.2266 1600.0 431.1959 1600.0 436.2548 2900.0 441.2132 1600.0 451.2298 3500.0 454.2654 3000.0 459.2235 23000.0 460.2263 5000.0 461.2295 1300.0 469.1719 1200.0 469.2401 2200.0 470.2432 1100.0 474.1984 2000.0 474.2498 2000.0 480.2451 18000.0 481.2485 4000.0 482.2617 4500.0 485.2392 2700.0 487.1821 3900.0 498.2351 1300.0 502.2477 3400.0 503.2289 1200.0 503.2486 2000.0 506.2404 2900.0 515.2648 3600.0 516.2451 22000.0 516.2669 1300.0 517.2482 5700.0 518.2505 1200.0 542.2609 1700.0 545.2505 1000.0 559.2667 1400.0 559.2877 1200.0 560.2712 1100.0 569.2717 2700.0 570.2753 1100.0 573.2717 1000.0 587.2821 27000.0 588.2858 10000.0 589.2882 1900.0 595.272 18000.0 595.3441 2200.0 596.2756 5800.0 597.278 1500.0 600.2653 4000.0 601.2709 1600.0 605.2929 10000.0 606.2968 3700.0 630.2914 6400.0 631.2947 2000.0 659.2939 1900.0 660.2976 1000.0 670.3594 2000.0 671.3033 5600.0 672.3063 3300.0 673.3092 3100.0 674.3145 1000.0 677.3055 1200.0 686.3126 1300.0 687.3123 3500.0 688.3183 1000.0 689.4353 1000.0 694.3411 5300.0 695.3451 2600.0 698.3549 3800.0 699.3586 1300.0 723.3865 1200.0 723.8182 1000.0 725.3265 2600.0 726.3271 1300.0 728.3255 3000.0 729.3306 1000.0 741.3959 1600.0 743.3376 3100.0 744.3401 1500.0 751.3817 1100.0 761.8337 1600.0 769.3907 3000.0 770.3362 1000.0 781.3538 1200.0 795.35 1100.0 796.854 1400.0 799.3621 6300.0 800.3654 3100.0 804.3619 1300.0 804.8605 1200.0 807.4246 2500.0 808.4285 1600.0 817.372 15000.0 818.3742 5800.0 819.3809 1600.0 820.3972 1100.0 829.3978 3400.0 830.4094 1200.0 832.8721 1400.0 838.4099 8200.0 839.4169 3700.0 839.8816 1800.0 840.382 1200.0 840.4253 2600.0 841.3779 1800.0 841.8806 1600.0 843.4145 10000.0 844.4184 8900.0 845.4199 2700.0 847.4104 8100.0 848.4135 3600.0 851.4453 1200.0 856.4208 5900.0 857.4244 3200.0 867.4252 1900.0 869.3674 1400.0 869.4572 3400.0 879.4388 2400.0 880.4423 1100.0 883.8763 1900.0 884.3742 2300.0 891.3864 1700.0 891.8857 1300.0 892.8843 2000.0 897.4509 7500.0 898.4555 3100.0 901.4406 1100.0 904.4301 1100.0 910.4327 3000.0 911.4377 2100.0 931.4205 1000.0 933.4211 1100.0 938.4645 1600.0 940.4193 1700.0 940.9214 2000.0 947.9269 1400.0 948.4299 1500.0 949.4267 1900.0 949.9255 1600.0 981.4722 3100.0 982.4747 1300.0 983.4628 1400.0 989.4322 1000.0 989.9507 1300.0 990.4555 1700.0 990.9593 1000.0 998.9603 2600.0 999.459 1900.0 999.9614 1700.0 1003.4403 2100.0 1004.449 1100.0 1007.4406 1700.0 1022.4938 1100.0 1040.5117 2200.0 1050.4917 2600.0 1051.4928 2700.0 1052.5043 2200.0 1053.4918 1400.0 1057.4672 1000.0 1060.4633 2000.0 1061.4652 1500.0 1066.5254 2600.0 1067.5256 1600.0 1068.4987 4400.0 1069.5052 2800.0 1070.5077 1200.0 1074.4812 3700.0 1075.4869 3100.0 1075.9844 2000.0 1076.4884 2100.0 1078.4761 2600.0 1079.4818 1400.0 1084.5316 1700.0 1085.5419 2100.0 1091.524 1100.0 1109.5298 10000.0 1110.5337 6600.0 1111.5327 2000.0 1112.5416 1100.0 1116.0023 1100.0 1125.5144 1400.0 1133.5217 1200.0 1150.5012 1200.0 1151.5106 1500.0 1161.5193 2300.0 1162.519 2100.0 1175.5321 2300.0 1176.5314 2500.0 1177.5282 1400.0 1178.5372 1100.0 1179.5309 1900.0 1180.5319 2000.0 1181.0439 1000.0 1181.5471 3000.0 1182.5483 2000.0 1199.5654 2600.0 1200.5734 2000.0 1247.4994 1100.0 1260.528 1200.0 1261.5254 1000.0 1264.5237 2700.0 1265.5227 2400.0 1266.5273 1100.0 1279.5325 1300.0 1310.6447 1200.0 1333.54 1000.0 1433.6656 1400.0 1446.63 2500.0 1447.635 2700.0 1451.6814 1100.0 1458.6625 1100.0 1460.6478 2300.0 1461.645 4100.0 1462.6449 3000.0 1464.6385 5000.0 1465.6403 2800.0 1466.6451 1700.0 1474.6636 1400.0 1475.6664 1500.0 1482.651 1900.0 1483.652 1400.0 1491.676 1500.0 1492.6715 1400.0 1493.6801 1400.0 1496.7096 1400.0 1497.708 1700.0 1504.1848 1300.0 1504.6874 1600.0 1514.7102 1700.0 1532.6952 1400.0 1584.7292 1300.0 1590.7058 1400.0 1592.6971 1500.0 1593.6985 1900.0 1606.6962 2200.0 1607.7117 2500.0 1608.7133 2300.0 1609.7207 1900.0 1610.7146 3100.0 1611.7075 2200.0 1618.7208 1300.0 1663.7347 2800.0 1664.7302 2700.0 1665.7267 1300.0 1677.7482 1300.0 1678.7542 1700.0 1679.7513 1500.0 1681.7385 2900.0 1683.7499 1400.0 1695.8014 1200.0 1696.8035 1200.0 1713.8097 1200.0 1733.7749 1400.0 1744.7637 1800.0 1745.7714 1800.0 1781.7698 1300.0 1785.752 1200.0 1858.8375 1000.0 1862.8356 1500.0 1873.8671 1000.0 1874.8616 1800.0 1875.856 1400.0 1879.8322 1200.0 1880.8311 2000.0 1881.8373 1200.0 1894.8428 1600.0 1897.8521 1400.0 1978.896 2200.0 1979.8896 1800.0 1980.8898 1200.0 1993.9141 1300.0 1994.9155 1500.0 1995.9167 1200.0 1996.9125 3000.0 1997.9036 2800.0 1998.9155 1200.0 2086.9446 1600.0 2150.9495 1400.0 2165.9636 1200.0 2166.9707 1400.0 2168.9717 1100.0 2248.0396 1300.0 END IONS BEGIN IONS SCANS=601 PEPMASS=1150.7683 CHARGE=1 COLLISION_ENERGY=0.0 82.0653 1500.0 99.0916 8400.0 100.0869 1600.0 101.0709 9000.0 101.1072 2400.0 227.175 2100.0 245.1854 1500.0 326.2433 2500.0 328.1859 1600.0 342.2014 1100.0 360.2119 1800.0 366.2633 3000.0 384.2735 2400.0 395.2646 1100.0 423.2589 1800.0 441.2702 13000.0 442.2743 2100.0 455.2857 1700.0 459.2815 2900.0 479.3467 2800.0 497.3576 6400.0 498.3609 1000.0 508.3494 1600.0 515.3688 1800.0 536.3433 2600.0 554.3533 6600.0 555.3586 1600.0 568.3694 1100.0 572.3649 3300.0 574.4183 1100.0 582.4463 1100.0 586.3805 1100.0 592.4307 4000.0 610.442 14000.0 611.445 4400.0 612.3845 1600.0 667.4378 10000.0 668.4401 3000.0 685.4487 93000.0 686.452 30000.0 687.4553 1500.0 691.4998 4000.0 707.4604 1300.0 708.4619 1000.0 709.5103 12000.0 710.5137 3900.0 723.527 1600.0 725.4688 4600.0 726.4734 1300.0 806.5259 3600.0 807.5296 1400.0 820.5411 1400.0 822.5944 3800.0 823.597 2200.0 824.5378 4800.0 825.5398 1300.0 838.5544 1500.0 891.616 3900.0 892.613 1500.0 919.6111 7000.0 920.6127 3700.0 937.6213 12000.0 938.6248 6400.0 951.6379 3300.0 952.6391 1600.0 1005.6846 1000.0 1018.6784 2200.0 1019.6818 1500.0 1022.7099 5700.0 1023.7139 3000.0 1032.6951 15000.0 1033.6969 7600.0 1034.7008 1100.0 1050.7054 88000.0 1051.7085 52000.0 1052.7106 6000.0 END IONS BEGIN IONS SCANS=602 PEPMASS=1151.7904 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 2500.0 441.2705 4600.0 511.3736 1700.0 554.355 2700.0 572.3637 1500.0 606.4489 2000.0 624.4576 4100.0 667.4401 2700.0 685.4488 30000.0 686.4518 5100.0 705.5142 1500.0 723.5259 3600.0 739.4818 1200.0 838.5507 2000.0 905.6295 1300.0 933.6278 3000.0 934.6246 1000.0 951.6359 4700.0 965.6484 1300.0 1036.7261 2100.0 1046.7109 6700.0 1047.7128 1600.0 1064.7212 39000.0 1065.7242 9600.0 END IONS BEGIN IONS SCANS=603 PEPMASS=1151.7909 CHARGE=1 COLLISION_ENERGY=0.0 87.0921 2500.0 441.2705 4600.0 511.3736 1700.0 554.355 2700.0 572.3637 1500.0 606.4489 2000.0 624.4576 4100.0 667.4401 2700.0 685.4488 30000.0 686.4518 5100.0 705.5142 1500.0 723.5259 3600.0 739.4818 1200.0 838.5507 2000.0 905.6295 1300.0 933.6278 3000.0 934.6246 1000.0 951.6359 4700.0 965.6484 1300.0 1036.7261 2100.0 1046.7109 6700.0 1047.7128 1600.0 1064.7212 39000.0 1065.7242 9600.0 END IONS BEGIN IONS SCANS=604 PEPMASS=1152.7483 CHARGE=1 COLLISION_ENERGY=0.0 85.0556 1200.0 85.0764 500000.0 86.0798 3800.0 86.0968 2300.0 111.092 2600.0 117.0912 2300.0 128.1183 9600.0 129.1024 2500.0 129.1217 1900.0 130.0975 7100.0 130.1338 4000.0 131.0815 210000.0 132.0848 2100.0 133.0858 1400.0 175.1329 1100.0 227.1752 1500.0 229.1184 1100.0 245.1857 1800.0 326.244 1700.0 328.1863 1600.0 338.2329 1600.0 342.2017 1600.0 360.2125 2000.0 423.2599 1500.0 441.2703 14000.0 451.3157 2900.0 455.2852 1000.0 459.2803 2900.0 469.326 5300.0 487.3368 1100.0 508.3494 2800.0 536.3444 3000.0 546.3888 1500.0 554.3542 8000.0 555.3586 1200.0 564.3997 5300.0 572.3643 3000.0 582.4106 14000.0 583.4159 1500.0 584.353 1100.0 586.3798 2000.0 645.4575 1700.0 663.4686 4600.0 667.438 9100.0 679.4266 2000.0 681.4785 11000.0 682.4831 1000.0 685.4486 100000.0 686.4518 15000.0 687.4539 1800.0 697.4373 5100.0 751.4841 1400.0 764.5153 1100.0 778.4951 3900.0 792.5112 1700.0 794.562 3800.0 796.5061 5100.0 797.5083 1200.0 810.5216 1300.0 845.5729 1200.0 863.584 4500.0 873.5679 1200.0 891.5786 9200.0 892.5817 1400.0 905.5921 1200.0 909.5902 15000.0 910.592 3900.0 923.6045 3400.0 976.6673 1000.0 986.6573 1300.0 994.6789 8700.0 995.6812 1900.0 1004.6632 24000.0 1005.6674 6000.0 1022.6739 150000.0 1023.6771 39000.0 1024.6796 2700.0 1025.6831 1500.0 END IONS BEGIN IONS SCANS=605 PEPMASS=1161.7851 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1600.0 91.506 1100.0 124.087 1800.0 125.1074 4900.0 126.1026 60000.0 441.2698 2600.0 483.3423 1100.0 554.3546 1600.0 596.4262 1900.0 667.4379 1800.0 685.4485 17000.0 686.4528 3000.0 695.4938 1900.0 905.5941 1900.0 923.6057 2200.0 924.6056 1000.0 1008.6943 1900.0 1018.6805 3700.0 1019.6815 1100.0 1036.6897 22000.0 1037.6935 7300.0 1038.697 1000.0 END IONS BEGIN IONS SCANS=606 PEPMASS=1161.7864 CHARGE=1 COLLISION_ENERGY=0.0 111.0919 17000.0 112.0871 34000.0 112.0952 1300.0 125.1074 1300.0 126.1026 19000.0 441.2705 1800.0 455.2856 1300.0 483.3424 1000.0 568.3696 1400.0 578.4158 1000.0 596.4261 2900.0 685.449 8300.0 686.4504 2000.0 695.4929 1400.0 699.4644 8800.0 700.4664 1800.0 711.4541 1000.0 824.5357 1100.0 923.6068 1100.0 937.6201 2900.0 1008.692 1100.0 1018.6758 1900.0 1032.6917 1900.0 1036.6904 9600.0 1037.6937 2600.0 1050.7056 13000.0 1051.7081 4200.0 END IONS BEGIN IONS SCANS=607 PEPMASS=1161.7864 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 1300.0 95.0607 1100.0 111.0919 26000.0 112.0871 99000.0 112.0953 1500.0 113.1073 1000.0 126.1027 2800.0 366.2629 1100.0 441.2698 3600.0 497.3579 1700.0 554.3544 1200.0 592.4319 1000.0 610.4407 3100.0 667.437 2300.0 685.4489 22000.0 686.4509 4000.0 709.5107 3700.0 725.4689 1000.0 824.5392 2100.0 919.609 1600.0 937.6215 3400.0 1018.6758 1500.0 1022.7092 2100.0 1032.6946 3500.0 1036.6887 2500.0 1050.7062 19000.0 1051.7084 6300.0 END IONS BEGIN IONS SCANS=608 PEPMASS=1163.8022 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 23000.0 91.5063 1700.0 111.0919 25000.0 125.1074 1600.0 126.1026 39000.0 127.0865 1100.0 127.0976 2700.0 127.106 5000.0 127.1233 2500.0 128.0819 5200.0 128.1182 120000.0 129.1024 1800.0 129.1214 1100.0 441.2703 3200.0 483.3428 1300.0 554.3536 1800.0 572.3649 1300.0 578.4153 1300.0 596.4257 2400.0 597.4288 1400.0 667.4374 1900.0 668.4421 1200.0 685.4489 20000.0 686.4519 7400.0 687.4533 2400.0 695.4948 3000.0 696.4997 1400.0 810.5213 1100.0 905.5945 1500.0 923.6048 2500.0 924.6075 1800.0 1008.6953 2100.0 1018.6793 3400.0 1019.6818 2600.0 1020.6876 1500.0 1036.6901 25000.0 1037.6925 16000.0 1038.6959 8700.0 1039.6953 1100.0 END IONS BEGIN IONS SCANS=609 PEPMASS=1166.7641 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 81000.0 115.0755 1300.0 117.091 1500.0 128.1183 1900.0 130.0976 1800.0 130.1338 1800.0 131.0815 31000.0 144.1133 1100.0 455.2857 3000.0 564.401 1000.0 568.3692 1800.0 582.4108 3200.0 586.3817 1000.0 681.4528 1300.0 685.4481 1400.0 695.4942 2500.0 697.4376 1200.0 699.4641 20000.0 700.4675 2100.0 792.5092 1400.0 810.5206 1400.0 877.5981 1200.0 905.5936 1300.0 923.6063 4100.0 1008.6912 1100.0 1018.6787 5200.0 1022.6742 1200.0 1023.6754 1400.0 1036.6897 29000.0 1037.6925 8600.0 1038.6903 1100.0 END IONS BEGIN IONS SCANS=610 PEPMASS=1166.7704 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 400000.0 86.0798 4300.0 111.0918 3100.0 128.1182 11000.0 129.1022 1800.0 129.1217 2100.0 130.0975 5300.0 130.1338 2000.0 131.0815 170000.0 132.085 1800.0 227.1753 1800.0 326.2434 1400.0 328.1862 1100.0 342.2016 1000.0 352.2486 1900.0 360.213 1200.0 423.2594 1800.0 441.27 12000.0 442.2735 1200.0 459.2812 1900.0 465.3309 2600.0 483.3419 4300.0 501.3534 2000.0 508.3487 2000.0 536.3426 2900.0 554.3535 6300.0 560.4052 1100.0 572.3647 3100.0 578.4158 4900.0 586.3792 1100.0 596.426 12000.0 597.4311 2500.0 667.4382 8600.0 677.4836 5800.0 678.4876 1100.0 685.4484 96000.0 686.4518 15000.0 687.4542 1700.0 693.4417 1600.0 695.4939 11000.0 696.4965 2500.0 709.5094 1400.0 711.4528 4100.0 792.5109 3800.0 808.5786 3200.0 810.5212 4600.0 811.5218 1100.0 815.474 1000.0 824.5363 1700.0 877.6003 3400.0 905.5945 6900.0 906.5984 1700.0 919.6083 1200.0 923.6057 15000.0 924.6078 4100.0 937.6182 2500.0 938.6264 1100.0 991.671 1500.0 1008.6944 6000.0 1009.6959 1500.0 1018.6779 21000.0 1019.6826 6500.0 1036.6895 140000.0 1037.6926 36000.0 1038.6958 4600.0 END IONS BEGIN IONS SCANS=611 PEPMASS=1166.7638 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 400000.0 86.0798 4300.0 111.0918 3100.0 128.1182 11000.0 129.1022 1800.0 129.1217 2100.0 130.0975 5300.0 130.1338 2000.0 131.0815 170000.0 132.085 1800.0 227.1753 1800.0 326.2434 1400.0 328.1862 1100.0 342.2016 1000.0 352.2486 1900.0 360.213 1200.0 423.2594 1800.0 441.27 12000.0 442.2735 1200.0 459.2812 1900.0 465.3309 2600.0 483.3419 4300.0 501.3534 2000.0 508.3487 2000.0 536.3426 2900.0 554.3535 6300.0 560.4052 1100.0 572.3647 3100.0 578.4158 4900.0 586.3792 1100.0 596.426 12000.0 597.4311 2500.0 667.4382 8600.0 677.4836 5800.0 678.4876 1100.0 685.4484 96000.0 686.4518 15000.0 687.4542 1700.0 693.4417 1600.0 695.4939 11000.0 696.4965 2500.0 709.5094 1400.0 711.4528 4100.0 792.5109 3800.0 808.5786 3200.0 810.5212 4600.0 811.5218 1100.0 815.474 1000.0 824.5363 1700.0 877.6003 3400.0 905.5945 6900.0 906.5984 1700.0 919.6083 1200.0 923.6057 15000.0 924.6078 4100.0 937.6182 2500.0 938.6264 1100.0 991.671 1500.0 1008.6944 6000.0 1009.6959 1500.0 1018.6779 21000.0 1019.6826 6500.0 1036.6895 140000.0 1037.6926 36000.0 1038.6958 4600.0 END IONS BEGIN IONS SCANS=612 PEPMASS=1166.7637 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 42000.0 128.1183 1100.0 130.0974 1400.0 131.0815 17000.0 441.2702 1500.0 596.4252 2200.0 667.4388 1000.0 685.4489 10000.0 686.4513 2200.0 695.4947 1700.0 699.4649 2200.0 711.4531 1100.0 905.5937 1200.0 923.605 1600.0 1018.6801 2500.0 1019.6796 1600.0 1036.6897 16000.0 1037.6937 4000.0 1050.7084 2300.0 END IONS BEGIN IONS SCANS=613 PEPMASS=1166.7643 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 63000.0 91.5079 1400.0 130.0975 1800.0 131.0814 25000.0 441.2697 2000.0 596.4257 3000.0 667.4375 1500.0 685.4484 17000.0 686.4507 4700.0 695.4944 2900.0 923.6044 3200.0 1008.6936 1600.0 1018.6785 3100.0 1019.6785 1500.0 1036.6896 23000.0 1037.693 7300.0 1038.6958 2900.0 END IONS BEGIN IONS SCANS=614 PEPMASS=1166.7648 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 63000.0 91.5079 1400.0 130.0975 1800.0 131.0814 25000.0 441.2697 2000.0 596.4257 3000.0 667.4375 1500.0 685.4484 17000.0 686.4507 4700.0 695.4944 2900.0 923.6044 3200.0 1008.6936 1600.0 1018.6785 3100.0 1019.6785 1500.0 1036.6896 23000.0 1037.693 7300.0 1038.6958 2900.0 END IONS BEGIN IONS SCANS=615 PEPMASS=1175.802 CHARGE=1 COLLISION_ENERGY=0.0 124.0869 1700.0 125.1072 1800.0 126.1026 43000.0 441.2694 2400.0 554.3538 1400.0 610.4409 2600.0 667.4372 1900.0 685.4486 18000.0 686.4514 4200.0 709.5095 2300.0 725.4672 1000.0 806.5249 1200.0 824.5361 1000.0 919.6075 1400.0 937.6205 2100.0 1022.707 1500.0 1032.6952 3000.0 1050.7054 17000.0 1051.7083 6200.0 1052.7104 1100.0 END IONS BEGIN IONS SCANS=616 PEPMASS=1180.7803 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 55000.0 91.5081 1800.0 128.1182 1500.0 130.0975 1600.0 131.0815 23000.0 144.0767 2000.0 144.1132 1700.0 455.285 1900.0 483.3419 1800.0 568.3693 1600.0 578.415 1400.0 596.4253 3900.0 681.4533 1300.0 685.4479 3800.0 686.4506 1700.0 691.5002 1000.0 699.4641 16000.0 700.4667 3900.0 709.5107 2500.0 806.5265 1000.0 824.5357 1900.0 919.6078 1300.0 937.6217 2800.0 1022.7079 1300.0 1032.6951 4600.0 1033.6947 1200.0 1036.6921 2200.0 1037.6932 3300.0 1050.7059 23000.0 1051.7095 6700.0 1052.7078 1400.0 END IONS BEGIN IONS SCANS=617 PEPMASS=1180.78 CHARGE=1 COLLISION_ENERGY=0.0 85.0764 55000.0 91.506 1100.0 130.0974 2600.0 131.0814 23000.0 158.0923 1100.0 455.2848 1400.0 568.3695 1200.0 578.4156 1300.0 596.4256 2600.0 677.4835 1600.0 685.4473 1200.0 695.4952 3200.0 699.4643 20000.0 700.4672 4200.0 725.4676 1100.0 806.5242 1400.0 824.5364 2400.0 825.5389 1000.0 937.6208 3200.0 938.6222 1400.0 1018.6752 1400.0 1022.7142 2700.0 1032.694 2200.0 1036.6892 1000.0 1050.7058 27000.0 1051.7083 8400.0 1052.7085 2000.0 END IONS BEGIN IONS SCANS=618 PEPMASS=1180.7795 CHARGE=1 COLLISION_ENERGY=0.0 85.0765 130000.0 91.5061 1300.0 111.0918 1000.0 128.1183 2000.0 130.0974 3300.0 130.134 1400.0 131.0815 45000.0 441.27 4500.0 459.2803 1100.0 479.3474 1400.0 497.3581 2100.0 536.3449 1200.0 554.3544 3800.0 572.365 1600.0 592.431 1900.0 610.4421 4700.0 611.4457 1800.0 667.4381 4700.0 685.4489 36000.0 686.4523 8600.0 687.4537 1300.0 709.5106 5200.0 725.47 1200.0 806.5267 1100.0 822.5941 1600.0 824.5365 2000.0 891.6144 1400.0 919.6087 3000.0 937.6234 6800.0 938.6238 1400.0 1022.7109 2600.0 1032.6943 5800.0 1033.6975 1200.0 1050.7058 43000.0 1051.7084 15000.0 1052.7122 3400.0 END IONS BEGIN IONS SCANS=619 PEPMASS=1188.795 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1300.0 110.0714 3200.0 112.0871 16000.0 151.0978 8900.0 152.1185 4300.0 153.1134 54000.0 154.1339 1100.0 441.2701 2700.0 465.331 1100.0 578.4151 1000.0 596.426 2000.0 667.4379 1800.0 677.4826 1400.0 685.4487 15000.0 686.451 7500.0 687.4545 1700.0 695.4954 2400.0 696.4965 1600.0 905.5942 1500.0 923.6054 2700.0 924.607 1800.0 1009.6958 1500.0 1018.6794 2600.0 1019.683 2600.0 1036.6896 19000.0 1037.6924 14000.0 1038.6965 7000.0 END IONS BEGIN IONS SCANS=620 PEPMASS=1202.8104 CHARGE=1 COLLISION_ENERGY=0.0 91.5081 1500.0 110.0715 1700.0 111.0919 1200.0 112.0871 13000.0 151.0978 5300.0 152.1184 2500.0 153.1134 45000.0 441.2704 2400.0 554.3544 2100.0 572.3659 1000.0 610.4421 2500.0 611.446 1200.0 667.4375 2000.0 668.4408 1200.0 685.4486 17000.0 686.4523 7300.0 687.4539 1600.0 709.5099 1700.0 710.514 1300.0 937.6189 1700.0 938.6235 2200.0 1022.7062 1400.0 1032.6945 2800.0 1033.6957 1800.0 1050.7056 15000.0 1051.7078 11000.0 1052.7122 5400.0 END IONS BEGIN IONS SCANS=621 PEPMASS=1225.1145 CHARGE=2 COLLISION_ENERGY=0.0 180.4555 2600.0 180.4589 2000.0 180.7128 2100.0 180.716 1800.0 185.6966 1300.0 199.8707 1200.0 201.3368 1300.0 204.7283 1600.0 205.9111 3800.0 208.2287 1300.0 210.9869 1800.0 220.1644 1400.0 230.5984 3000.0 231.1125 2800.0 232.1404 1500.0 250.8794 1500.0 257.0485 1400.0 272.1596 1700.0 285.6226 3200.0 300.1482 2600.0 302.1856 2200.0 303.1698 38000.0 304.1734 6500.0 312.6454 1800.0 317.6744 1600.0 320.7052 2300.0 320.827 2400.0 321.651 28000.0 322.1523 9100.0 330.1808 5900.0 335.1462 2400.0 335.1563 32000.0 335.6583 7900.0 342.1637 3000.0 344.1963 13000.0 344.6541 4200.0 355.1971 9400.0 357.1697 93000.0 357.6714 30000.0 358.1696 1500.0 371.1667 7400.0 371.6665 1900.0 380.1722 4200.0 384.4757 2100.0 400.1604 2100.0 401.2181 5300.0 412.6866 2300.0 413.6727 2500.0 421.2133 2800.0 421.6913 2600000.0 422.1925 1000000.0 422.6941 170000.0 423.1949 6100.0 443.265 4300.0 450.2381 46000.0 451.2413 7400.0 461.2761 2600.0 469.1188 1800.0 484.2542 1800.0 502.2656 65000.0 503.2689 12000.0 505.2121 3600.0 514.3029 6200.0 533.2753 44000.0 534.2787 7800.0 546.7176 1900.0 551.2859 13000.0 566.4349 1900.0 597.3397 2300.0 601.8953 2000.0 604.3494 8000.0 605.3517 2600.0 615.3497 110000.0 616.3526 32000.0 617.356 3600.0 620.244 2400.0 632.3439 110000.0 633.3472 40000.0 634.324 8100.0 634.3509 4600.0 635.3278 2400.0 639.1835 2000.0 639.9966 1900.0 642.2965 5200.0 647.4946 2100.0 650.3538 26000.0 651.3559 8000.0 687.317 5400.0 703.3812 33000.0 704.3834 9200.0 705.3588 3300.0 713.3328 3400.0 714.1907 1900.0 733.3922 3300.0 744.2576 2000.0 752.7746 1900.0 758.8831 3200.0 759.3396 3900.0 760.3398 2800.0 772.8794 14000.0 773.3801 14000.0 773.8824 3800.0 776.4337 5400.0 777.8745 2800.0 785.381 3800.0 786.4212 8400.0 787.422 3100.0 795.3702 2400.0 797.8862 3600.0 798.3488 16000.0 798.3872 15000.0 799.3527 6600.0 799.3893 5000.0 801.8804 2400.0 804.4289 100000.0 805.4322 34000.0 806.4338 6400.0 814.3953 6400.0 814.9006 3300.0 815.888 4900.0 816.3923 9700.0 822.7852 2100.0 822.8972 2100.0 823.403 3700000.0 823.9038 3900000.0 824.4047 1400000.0 824.9065 210000.0 825.3685 4000.0 825.4056 3000.0 842.3755 690000.0 843.3787 270000.0 844.3812 46000.0 965.6619 2300.0 1014.1047 2200.0 1040.4097 2300.0 1329.9885 2400.0 1563.2699 2500.0 1801.4001 3300.0 1818.3378 2700.0 1906.717 3100.0 2092.7197 2500.0 2516.7419 2400.0 END IONS BEGIN IONS SCANS=622 PEPMASS=1233.098 CHARGE=2 COLLISION_ENERGY=0.0 211.1745 1200.0 231.1122 2500.0 254.1498 1100.0 261.1591 2100.0 272.1604 1200.0 275.1744 1000.0 302.1866 2000.0 303.17 63000.0 304.1731 8100.0 310.1755 1100.0 324.3252 1800.0 325.3295 1600.0 329.1391 1000.0 329.637 15000.0 330.1388 3600.0 330.1803 8800.0 332.1591 1200.0 337.1867 1200.0 338.1701 2700.0 344.1963 15000.0 345.1998 2900.0 355.1971 14000.0 356.2011 1600.0 364.1582 1600.0 364.6576 4900.0 365.1561 27000.0 365.6575 7300.0 366.1577 1900.0 374.161 2300.0 379.1533 9800.0 379.6552 3100.0 383.1918 2300.0 401.2177 6800.0 415.2702 1900.0 420.672 3600.0 421.6907 2900.0 422.2432 7000.0 423.2471 1500.0 428.6801 11000.0 429.1795 43000.0 429.6777 360000.0 430.179 150000.0 430.3885 5600.0 430.6791 36000.0 431.1792 3700.0 431.2288 2200.0 443.2646 6700.0 444.2675 1100.0 445.2434 2300.0 450.2383 71000.0 451.2415 18000.0 452.2439 1800.0 461.276 1600.0 474.2701 2200.0 476.1625 2000.0 484.2545 3800.0 502.2656 98000.0 503.269 22000.0 504.1579 1900.0 504.2716 2700.0 507.2599 2300.0 514.3022 12000.0 515.3058 1600.0 523.291 1000.0 526.3021 1400.0 533.2755 67000.0 534.2789 18000.0 535.2828 1700.0 551.2858 20000.0 552.2892 6200.0 556.1855 1200.0 561.2143 4200.0 562.2186 1600.0 587.194 2900.0 587.3549 2600.0 597.3391 4700.0 598.3423 1600.0 604.3491 6300.0 605.3521 2100.0 606.3282 4000.0 610.196 1900.0 615.3496 190000.0 616.353 50000.0 617.3558 6500.0 622.3603 1100.0 632.3439 180000.0 633.347 58000.0 634.3228 12000.0 634.35 7800.0 635.3283 2600.0 640.7985 1100.0 650.3544 34000.0 651.3575 12000.0 652.3604 1500.0 656.2738 1100.0 658.2681 18000.0 659.2715 6500.0 660.2469 2700.0 660.2732 1000.0 668.2568 1600.0 684.2662 1300.0 686.2635 27000.0 687.2659 9200.0 688.2648 2500.0 703.2895 1700.0 703.381 30000.0 704.3837 11000.0 705.3597 3400.0 705.39 1800.0 706.3638 1000.0 730.3132 2200.0 731.3168 1800.0 733.3922 8000.0 734.3964 2600.0 750.3417 1500.0 757.2999 7000.0 758.3054 2600.0 759.3004 4500.0 766.2852 3100.0 767.2879 1200.0 775.3098 1000.0 776.4329 6300.0 777.4371 1200.0 785.3582 2800.0 785.8605 1900.0 786.3611 1200.0 786.4183 15000.0 787.4227 5900.0 794.8621 7700.0 795.3638 12000.0 795.866 5700.0 796.3457 7900.0 797.3495 3000.0 804.4288 130000.0 805.4319 51000.0 806.4347 9400.0 810.3647 1500.0 812.3644 2100.0 813.3121 3200.0 813.3614 3400.0 814.2838 3900.0 814.3214 20000.0 814.3585 67000.0 815.2888 4200.0 815.325 6700.0 815.3611 26000.0 816.2919 1200.0 816.3596 17000.0 817.3622 2400.0 822.3846 1300.0 823.4033 2700.0 824.8799 1000.0 830.3917 10000.0 830.4324 1100.0 830.8914 57000.0 831.3895 500000.0 831.8905 460000.0 832.3911 190000.0 832.8915 33000.0 840.3378 11000.0 841.34 4800.0 856.3531 22000.0 857.3491 61000.0 858.3482 680000.0 859.351 290000.0 860.3506 110000.0 861.3528 12000.0 889.331 3400.0 890.3329 2400.0 1041.0477 1400.0 END IONS BEGIN IONS SCANS=623 PEPMASS=1234.1023 CHARGE=2 COLLISION_ENERGY=0.0 171.1124 1100.0 190.0858 1400.0 201.1232 1400.0 231.1123 5700.0 233.1644 2300.0 238.5845 2300.0 254.149 1800.0 261.1588 2100.0 267.1331 1400.0 272.16 1100.0 275.1754 1600.0 302.1859 2300.0 303.17 110000.0 304.1731 19000.0 305.1761 1200.0 310.1754 2200.0 317.1323 1100.0 320.632 2200.0 325.3294 1100.0 327.2025 1700.0 329.1388 2200.0 329.637 27000.0 330.1391 11000.0 330.1805 17000.0 330.6377 4500.0 331.1843 2800.0 332.1606 2000.0 337.1865 3500.0 338.1702 4300.0 339.1744 1100.0 343.1436 1500.0 343.6354 1800.0 344.1963 27000.0 345.1997 5000.0 355.197 21000.0 356.105 1600.0 356.2006 4000.0 362.2068 2700.0 364.1585 1400.0 364.6582 4300.0 365.1271 1000.0 365.1559 43000.0 365.6576 19000.0 366.1574 6700.0 367.2334 1500.0 374.1152 1800.0 374.1613 1600.0 374.6633 1400.0 379.1534 19000.0 379.6549 8400.0 380.1541 2000.0 383.1914 3900.0 393.1502 1200.0 401.2179 10000.0 402.2211 2800.0 403.1962 1300.0 413.218 1300.0 415.2338 1900.0 415.2701 3200.0 419.2285 1100.0 420.6727 5200.0 421.1732 3800.0 421.6906 1200.0 422.2431 11000.0 423.2468 4100.0 428.3926 1200.0 428.68 7000.0 429.1796 51000.0 429.213 1400.0 429.6777 540000.0 430.179 310000.0 430.3885 5200.0 430.6792 110000.0 431.1796 22000.0 431.2278 4300.0 431.6743 3700.0 432.2322 1400.0 443.2648 11000.0 444.268 3300.0 445.2451 3000.0 450.2382 110000.0 451.2416 34000.0 452.244 3500.0 461.2754 1500.0 474.2703 3100.0 476.1628 3700.0 477.1673 1100.0 484.2554 4700.0 485.2399 1100.0 485.2582 1800.0 486.3074 1700.0 498.2708 1100.0 502.2655 160000.0 503.2687 47000.0 504.1584 3100.0 504.2726 6000.0 505.2796 1200.0 507.2597 5600.0 508.2635 1400.0 514.3022 21000.0 515.3047 5700.0 516.2794 1500.0 523.2901 2200.0 526.3027 2100.0 530.2601 1300.0 533.2754 120000.0 534.2786 42000.0 535.1992 1400.0 535.2816 7000.0 542.2987 1200.0 543.2042 1200.0 544.3121 3200.0 545.315 1500.0 550.3008 1000.0 551.2858 34000.0 552.2894 14000.0 553.2938 1800.0 554.1697 1100.0 555.1767 1300.0 556.1848 2300.0 560.2049 1100.0 561.1798 1000.0 561.2153 11000.0 562.2179 4400.0 563.2164 2700.0 587.1951 4100.0 587.3553 5200.0 588.1984 1800.0 588.3568 1600.0 597.3392 8800.0 598.3211 1300.0 598.3421 3300.0 603.2136 1000.0 604.2213 2000.0 604.3492 11000.0 605.3527 4300.0 606.329 7500.0 607.3303 2900.0 610.1956 2300.0 615.3497 290000.0 616.3528 110000.0 617.3562 19000.0 618.3582 2100.0 632.3438 280000.0 633.347 120000.0 634.3228 19000.0 634.3499 23000.0 635.326 8600.0 635.354 2200.0 636.3307 1300.0 637.2924 1000.0 640.2564 1800.0 650.3542 52000.0 651.3579 25000.0 652.3604 4900.0 653.2488 1200.0 658.2681 29000.0 659.2716 14000.0 660.2463 4900.0 660.2736 3400.0 660.3029 1800.0 661.2493 1900.0 667.2534 1000.0 668.2542 1500.0 669.2654 1900.0 685.2675 1300.0 686.2632 47000.0 687.2659 20000.0 688.2648 9100.0 689.2682 2600.0 696.2545 1800.0 703.2903 4100.0 703.3807 46000.0 704.2928 1800.0 704.384 21000.0 705.3605 4600.0 705.3865 4200.0 730.3141 2300.0 731.3176 3600.0 731.8502 1100.0 732.3223 2100.0 733.3915 11000.0 734.3964 5400.0 735.398 1100.0 750.3399 1100.0 750.8425 1200.0 757.2991 12000.0 758.3022 4900.0 759.3002 12000.0 760.3048 3100.0 766.2849 4200.0 767.2895 3800.0 775.3107 1300.0 776.4332 12000.0 777.4366 5600.0 785.3594 1100.0 785.8591 4800.0 786.301 1600.0 786.3633 4600.0 786.418 26000.0 787.421 12000.0 788.4221 2400.0 794.8632 7600.0 795.3634 17000.0 795.865 11000.0 796.3491 9300.0 797.3524 5000.0 798.3513 1900.0 801.2771 1900.0 804.4289 180000.0 805.432 96000.0 806.4343 23000.0 807.4374 3800.0 809.8603 2500.0 810.358 1200.0 812.3621 1300.0 813.3173 5300.0 813.3601 6000.0 814.2842 8500.0 814.3213 31000.0 814.3583 110000.0 815.2877 6500.0 815.324 16000.0 815.3611 56000.0 816.2912 1700.0 816.3246 5100.0 816.3599 53000.0 817.3621 13000.0 818.3554 3100.0 822.3823 1000.0 823.8755 2000.0 824.3768 2500.0 830.3903 3000.0 830.8914 40000.0 831.3894 560000.0 831.8904 720000.0 832.391 450000.0 832.8917 150000.0 833.3911 27000.0 839.3342 1200.0 840.3369 19000.0 841.3408 9700.0 842.3414 2700.0 845.3022 2000.0 846.3088 1400.0 856.3524 13000.0 857.348 71000.0 858.348 1000000.0 859.3506 580000.0 860.3504 310000.0 861.3519 68000.0 862.3455 18000.0 889.3311 3900.0 890.3333 3200.0 891.3328 1400.0 END IONS BEGIN IONS SCANS=624 PEPMASS=1252.1294 CHARGE=2 COLLISION_ENERGY=0.0 171.7047 4000.0 171.7085 2800.0 171.9354 4100.0 171.9394 2500.0 190.0855 1400.0 203.9726 1200.0 210.2262 2300.0 210.291 2500.0 212.576 1200.0 220.0643 1800.0 221.1491 1200.0 230.5985 1800.0 231.1124 7200.0 233.1654 1800.0 245.0595 1100.0 246.0433 1500.0 261.1592 2200.0 262.1673 1300.0 262.4099 1200.0 272.1596 6300.0 278.1113 1100.0 282.9875 1300.0 290.17 9000.0 294.6277 2400.0 296.9674 1400.0 302.1862 3000.0 303.1697 85000.0 304.1733 7900.0 309.1909 1700.0 321.6509 12000.0 322.1532 3000.0 327.2015 1400.0 330.1804 11000.0 335.1561 17000.0 335.6601 3200.0 337.1864 2000.0 337.3263 1300.0 344.1961 42000.0 344.6537 26000.0 345.1554 8700.0 345.1998 5400.0 345.2124 2300.0 348.2927 1600.0 355.1977 5300.0 357.1696 35000.0 357.6711 12000.0 358.1432 1500.0 358.1744 2100.0 371.1674 7300.0 373.2073 15000.0 374.2109 2300.0 380.1723 55000.0 380.6739 19000.0 381.1768 1200.0 399.696 34000.0 400.198 12000.0 400.6987 2400.0 401.2037 2700.0 401.2177 6500.0 408.6839 5300.0 409.1836 1400.0 415.2698 4700.0 417.8977 2000.0 421.6915 9200.0 422.1927 5800.0 422.2428 9300.0 423.2473 1800.0 430.3893 3000.0 430.6964 770000.0 431.1978 280000.0 431.6992 46000.0 432.2026 3000.0 442.879 1300.0 443.2652 11000.0 444.2675 2700.0 450.2379 73000.0 451.2413 15000.0 474.2709 1500.0 492.2821 1900.0 502.2661 12000.0 503.2704 3000.0 514.1991 2000.0 514.3012 6900.0 520.2759 110000.0 521.2796 23000.0 522.2792 1400.0 532.3126 3100.0 533.2751 140000.0 534.2784 33000.0 535.2812 4300.0 545.2415 3300.0 551.2856 20000.0 552.2884 6200.0 565.2791 1500.0 587.2289 1800.0 587.2757 1400.0 588.2495 2800.0 589.338 2000.0 604.3497 12000.0 605.3672 4500.0 606.3293 2700.0 606.3691 1600.0 615.3501 17000.0 616.3538 4700.0 627.7068 1500.0 632.3436 170000.0 633.3613 210000.0 634.3638 59000.0 635.3659 6200.0 642.2961 8600.0 643.2981 1900.0 649.3683 3400.0 650.3546 28000.0 651.3586 6400.0 652.3328 7200.0 653.3372 2900.0 661.3007 8400.0 662.3032 2100.0 670.2911 2700.0 687.3171 34000.0 688.3231 9600.0 703.3816 32000.0 704.3826 11000.0 705.3864 1900.0 713.3304 7800.0 714.33 1300.0 717.3362 2200.0 717.8337 2100.0 721.3911 23000.0 722.395 11000.0 723.3709 12000.0 723.4033 2400.0 724.3719 3100.0 746.8733 4300.0 747.3715 2100.0 751.4022 5100.0 752.4061 2200.0 759.3373 11000.0 767.8884 1800.0 772.3337 11000.0 772.3701 7300.0 773.3389 3100.0 773.3747 3100.0 774.3719 4200.0 777.4146 2200.0 781.8796 6200.0 782.3846 7200.0 790.8876 5000.0 791.3885 2500.0 794.444 24000.0 795.4461 9200.0 795.884 5300.0 796.3852 5300.0 798.3502 16000.0 798.3856 3100.0 799.3521 5000.0 799.3896 1700.0 802.8918 2500.0 804.4288 48000.0 805.4308 23000.0 806.4335 3200.0 810.4147 3500.0 810.916 2900.0 813.3793 2100.0 815.8987 3700.0 816.3598 800000.0 817.3631 280000.0 818.3657 42000.0 819.3969 1800.0 819.8853 2600.0 820.3834 1700.0 822.4395 360000.0 823.4426 150000.0 824.4467 22000.0 832.4086 16000.0 832.9096 15000.0 833.4115 5800.0 833.9 5600.0 834.3995 6600.0 834.9028 4700.0 840.3965 2900.0 840.91 8700.0 841.4136 5800000.0 841.9138 5500000.0 842.4145 2100000.0 842.9158 330000.0 843.3788 5300.0 843.4163 4300.0 860.3855 810000.0 861.3885 330000.0 862.3915 56000.0 863.3942 3600.0 942.8076 1800.0 991.4556 1700.0 1166.2458 2000.0 1319.7961 2100.0 1379.6674 2200.0 1616.5793 2000.0 1799.3087 2300.0 2275.2949 2400.0 2340.7759 2100.0 2373.9438 2200.0 2434.0242 2000.0 END IONS BEGIN IONS SCANS=625 PEPMASS=1260.1139 CHARGE=2 COLLISION_ENERGY=0.0 173.0918 1600.0 183.1123 1500.0 190.0855 1100.0 208.9369 1000.0 231.1125 7500.0 232.1159 1100.0 233.1644 3300.0 254.1492 1300.0 261.1591 3000.0 272.1599 8500.0 273.1636 1100.0 275.1748 2100.0 290.1703 13000.0 302.1859 6700.0 303.1699 140000.0 304.173 13000.0 309.1912 1100.0 327.2025 1700.0 329.6371 7900.0 330.1388 2800.0 330.1805 17000.0 331.1838 1600.0 337.1867 1900.0 344.1962 63000.0 345.1999 9200.0 345.2128 4600.0 355.1964 7300.0 362.2064 1800.0 365.1558 4600.0 373.2074 24000.0 374.2106 3000.0 379.1533 8800.0 379.2317 1000.0 379.654 2900.0 380.1546 1200.0 401.2029 3200.0 401.2177 9000.0 407.6844 1500.0 408.1844 1100.0 410.1145 1000.0 415.2698 6100.0 416.6694 2600.0 419.228 4000.0 422.2432 13000.0 423.247 3600.0 429.6777 2900.0 437.6847 5400.0 438.185 14000.0 438.6826 62000.0 439.1841 18000.0 439.6847 3200.0 443.2646 14000.0 444.2679 2800.0 450.2382 120000.0 451.2416 22000.0 458.2751 1500.0 461.2756 2000.0 469.153 1000.0 475.2413 2000.0 476.1617 1500.0 476.2493 4400.0 477.1706 2500.0 477.2541 1400.0 486.3062 1100.0 492.2809 4800.0 493.0406 1100.0 496.1764 3000.0 502.2654 20000.0 503.2694 2800.0 504.1581 1400.0 507.2597 1900.0 512.1584 2400.0 514.3019 11000.0 515.3058 1800.0 520.2762 150000.0 521.1865 1200.0 521.2794 29000.0 522.2819 1800.0 523.2905 2000.0 532.2703 1000.0 532.3132 3900.0 533.2753 220000.0 534.2784 49000.0 535.2827 4400.0 538.1739 1200.0 540.1905 2300.0 548.2702 2400.0 550.3018 2000.0 551.2857 32000.0 552.2889 8500.0 556.1486 2000.0 558.191 1100.0 559.1985 1700.0 560.2075 4100.0 561.2141 9600.0 562.2196 3800.0 566.1837 1300.0 568.1785 1100.0 571.3595 1100.0 578.2043 1100.0 584.1795 1500.0 587.1953 1300.0 588.3255 6000.0 589.2067 1100.0 589.3337 7800.0 590.3373 1600.0 597.3394 2100.0 598.3435 1100.0 600.2384 2300.0 603.2136 3200.0 604.2209 2400.0 604.3486 21000.0 605.3527 2900.0 605.3654 5800.0 606.3286 4900.0 606.369 1900.0 607.3306 1100.0 615.3496 25000.0 616.2207 2500.0 616.3531 5500.0 618.2504 1600.0 632.2553 4700.0 632.3438 310000.0 633.361 360000.0 634.3641 91000.0 635.3655 11000.0 640.261 1400.0 645.2609 1200.0 650.3543 45000.0 651.2593 1700.0 651.3577 12000.0 652.3341 8500.0 653.3367 1500.0 656.2711 1100.0 657.2736 1500.0 658.2679 24000.0 659.2759 19000.0 660.2473 3800.0 660.2795 5300.0 661.2856 1100.0 666.728 1200.0 676.2664 2400.0 684.2673 1600.0 685.2787 1800.0 686.2631 33000.0 687.2667 10000.0 696.2789 1300.0 701.2938 3300.0 702.2953 4700.0 702.8135 1300.0 703.2881 60000.0 703.3807 72000.0 703.8111 8100.0 704.2923 14000.0 704.384 21000.0 705.2925 2600.0 705.387 2000.0 721.3917 38000.0 722.3946 12000.0 723.3712 13000.0 723.4039 2300.0 724.3738 4400.0 729.3032 3500.0 730.3113 7400.0 731.3188 2100.0 740.2698 2900.0 740.3552 5400.0 740.8544 1700.0 741.3575 2900.0 744.2803 2500.0 748.3223 1800.0 749.3596 1100.0 749.8621 1700.0 750.4186 1600.0 751.4015 8400.0 752.4043 1800.0 756.2913 1500.0 757.3002 7900.0 758.3027 1600.0 759.3029 5800.0 759.3367 1400.0 760.3084 2100.0 760.399 1000.0 760.4382 4000.0 769.3234 1500.0 770.2946 2900.0 770.3274 1900.0 773.3166 11000.0 774.3172 7900.0 775.3107 340000.0 776.3139 130000.0 776.4315 4500.0 777.3168 20000.0 777.405 6800.0 778.413 7100.0 779.4164 3200.0 780.4285 1600.0 784.2933 1400.0 785.3021 1500.0 785.339 2600.0 786.3118 3900.0 787.2993 27000.0 787.335 47000.0 788.2673 3400.0 788.3051 66000.0 788.3399 25000.0 789.308 16000.0 789.3438 2500.0 790.277 1100.0 790.311 1900.0 794.4446 38000.0 795.3406 1700.0 795.4476 16000.0 796.3118 2700.0 796.4512 1400.0 803.3298 3100.0 804.4288 94000.0 804.8688 1600.0 805.3546 2600.0 805.4319 37000.0 805.8532 2400.0 806.4352 4800.0 811.3535 2100.0 812.324 5100.0 812.3602 1500.0 813.3181 8600.0 813.3517 60000.0 814.3215 75000.0 814.3555 27000.0 815.3242 20000.0 815.3589 4300.0 816.3254 2300.0 817.3066 1100.0 818.377 1400.0 819.2883 11000.0 819.3254 3300.0 820.2901 2900.0 822.4394 600000.0 823.4424 210000.0 824.4457 31000.0 825.4485 1800.0 826.8821 25000.0 827.3842 26000.0 827.8865 10000.0 828.3892 1600.0 829.3289 6400.0 830.3359 21000.0 831.3253 250000.0 832.3314 390000.0 833.3347 98000.0 834.3347 21000.0 840.337 1400.0 840.3965 1400.0 840.8963 1200.0 841.4162 1300.0 842.8771 1300.0 845.34 1400.0 848.4017 27000.0 848.9017 150000.0 849.3997 770000.0 849.9008 520000.0 850.4022 130000.0 850.9037 5900.0 856.351 4900.0 857.3402 31000.0 858.3471 54000.0 859.3513 14000.0 860.3526 1800.0 863.3145 20000.0 864.316 6900.0 873.3547 5000.0 874.3631 34000.0 874.4043 1200.0 875.3535 150000.0 876.3583 670000.0 877.3613 200000.0 877.4512 1600.0 878.3611 47000.0 1119.5265 1100.0 1305.6334 1400.0 1612.2318 1300.0 1797.8615 1300.0 1913.9965 1400.0 2075.0413 1300.0 2076.5461 1400.0 2380.7603 1300.0 END IONS BEGIN IONS SCANS=626 PEPMASS=1384.7794 CHARGE=1 COLLISION_ENERGY=0.0 98.0603 2800.0 104.667 1900.0 105.0701 4800.0 108.081 2000.0 110.0605 4000.0 119.0855 8300.0 120.0808 16000.0 121.0648 3600.0 121.1012 3000.0 122.0602 17000.0 126.091 2200.0 131.0854 6600.0 132.102 5300.0 133.101 10000.0 135.0443 1500.0 136.0756 2300.0 136.1121 7700.0 136.1884 1500.0 139.6171 1600.0 140.0706 1800.0 141.3544 1600.0 143.0857 9000.0 145.1012 28000.0 147.1167 9600.0 150.0912 2000.0 155.0854 3500.0 155.9386 2800.0 157.1011 15000.0 159.0804 2500.0 159.1168 12000.0 160.0756 3500.0 162.0912 5500.0 162.1274 1800.0 164.107 5300.0 169.1009 6100.0 171.0802 3000.0 171.1128 3100.0 171.1166 12000.0 172.133 5200.0 173.1284 2700.0 173.1324 8700.0 174.0912 5500.0 176.107 6300.0 182.1176 110000.0 183.1166 4400.0 183.1206 2900.0 184.1333 26000.0 185.1321 2500.0 186.0913 6900.0 188.107 3100.0 195.1161 3800.0 196.1333 6400.0 197.1323 4900.0 198.1489 2500.0 199.071 1800.0 199.0854 1600.0 199.1114 1900.0 199.1484 5200.0 199.9952 1800.0 200.1067 2300.0 201.1232 3200.0 201.1275 3200.0 202.1229 2100.0 207.1164 2100.0 208.0968 2100.0 208.1332 7500.0 209.0956 5000.0 209.1325 11000.0 211.1485 3800.0 212.107 4600.0 212.1647 1700.0 214.1227 6600.0 216.1376 3000.0 219.5843 1700.0 223.1481 25000.0 225.127 2800.0 225.1639 3300.0 226.1228 2100.0 228.1382 2100.0 231.1127 8500.0 233.1326 10000.0 233.1651 3500.0 234.1123 48000.0 235.1483 3700.0 238.1232 2400.0 239.1428 3500.0 240.1376 3800.0 242.1169 1500.0 242.1537 5400.0 243.138 2500.0 243.7264 1700.0 244.1696 2600.0 247.148 2400.0 249.1638 2500.0 249.4949 1800.0 250.1226 2000.0 250.1591 2400.0 251.1427 140000.0 252.1385 2000.0 252.146 7000.0 254.1542 2100.0 255.0454 1800.0 256.1688 1800.0 257.1542 2400.0 258.1128 3800.0 259.1476 2500.0 260.1279 33000.0 261.1589 2000.0 262.1435 7600.0 262.1794 1700.0 266.1536 20000.0 267.1327 1900.0 268.1326 1800.0 268.1694 20000.0 269.153 8600.0 270.1487 2100.0 272.1278 15000.0 272.1602 4000.0 274.1435 13000.0 275.1751 2300.0 276.1384 1900.0 276.1959 2700.0 278.1535 5100.0 284.1281 3100.0 286.1433 19000.0 286.1804 3700.0 288.046 1900.0 288.159 27000.0 296.1634 1700.0 298.1431 5400.0 300.1593 14000.0 302.175 3000.0 303.17 210000.0 304.1544 9600.0 304.1737 11000.0 306.1859 5000.0 306.8766 1700.0 308.2009 2600.0 309.1918 2100.0 310.1759 3000.0 312.1596 1800.0 314.1748 11000.0 318.1849 2700.0 319.1926 2100.0 323.2011 2900.0 327.5647 1700.0 327.7084 1700.0 329.1622 2100.0 330.1808 36000.0 330.2423 2700.0 332.1603 4400.0 333.1847 2100.0 335.2 3800.0 337.1868 2600.0 338.1706 10000.0 340.1907 3100.0 340.2262 2200.0 344.1964 50000.0 348.1902 2100.0 352.1904 5700.0 352.4475 1700.0 354.2432 4000.0 355.197 45000.0 356.2003 2500.0 356.2214 4000.0 358.2165 5400.0 362.2072 6200.0 364.227 6200.0 366.2069 3100.0 367.2333 2000.0 369.2214 3300.0 370.3784 1900.0 372.2539 2600.0 373.2163 11000.0 380.2214 5100.0 381.2257 2500.0 382.2371 61000.0 383.1925 7300.0 383.241 3300.0 386.2467 15000.0 387.2499 2300.0 388.2634 10000.0 391.5527 1900.0 397.2157 2600.0 397.2477 3100.0 398.2321 3200.0 400.2475 8300.0 401.2178 19000.0 405.2907 2100.0 406.2372 4100.0 414.2425 12000.0 415.2707 4700.0 415.691 1700.0 420.2529 9900.0 422.2437 24000.0 430.2372 2200.0 431.2282 6200.0 431.2689 5100.0 432.253 240000.0 433.2566 16000.0 443.2647 27000.0 444.2685 2100.0 445.2439 7700.0 449.2796 69000.0 449.6966 1900.0 450.2385 230000.0 450.2839 5600.0 451.2413 17000.0 457.2434 3400.0 459.2639 4400.0 460.1713 1700.0 461.276 3800.0 474.2708 6700.0 484.2548 11000.0 485.2397 3400.0 486.3038 1700.0 502.2657 280000.0 503.2691 24000.0 505.2815 1600.0 507.2607 11000.0 513.1747 1900.0 514.3019 35000.0 517.3416 7700.0 519.3582 5500.0 523.2908 4400.0 526.3007 5400.0 533.2755 270000.0 534.2788 29000.0 544.3127 5300.0 545.3364 11000.0 551.2858 82000.0 552.2887 9600.0 559.7353 1800.0 561.3335 1800.0 562.338 1900.0 563.3475 140000.0 564.3506 17000.0 581.3585 5300.0 587.3541 5900.0 597.3397 20000.0 598.3211 2000.0 604.3488 9300.0 606.3273 14000.0 615.3497 530000.0 616.3529 55000.0 622.3596 2800.0 632.3439 620000.0 633.347 70000.0 634.3231 44000.0 635.3273 3900.0 650.3545 85000.0 651.3571 9200.0 703.3811 60000.0 704.384 6200.0 705.3602 8600.0 733.3912 19000.0 734.3916 2200.0 759.4075 3200.0 776.4335 19000.0 777.4373 4400.0 786.4174 29000.0 787.4186 3800.0 796.6905 2000.0 804.4285 180000.0 805.4312 31000.0 880.4938 2100.0 1051.0201 1900.0 1184.3336 2100.0 1202.2686 2000.0 1222.4846 2000.0 1327.3979 2400.0 END IONS nf_output/clustering/tall_raw_data.tsv0000644000000000000000000023552214677277122017342 0ustar rootrootrow ID filename area raw_data row m/z row retention time 1 Bianco1_MeOH_CE.raw 0.0 0 601.333740234375 20.535698 2 Bianco1_MeOH_CE.raw 0.0 0 603.33984375 21.482679 3 Bianco1_MeOH_CE.raw 0.0 0 613.3463134765625 17.786337 4 Bianco1_MeOH_CE.raw 0.0 0 613.3477478027344 17.955804 5 Bianco1_MeOH_CE.raw 0.0 0 614.3180541992188 21.353401 6 Bianco1_MeOH_CE.raw 0.0 0 614.46240234375 28.352775 7 Bianco1_MeOH_CE.raw 0.0 0 614.46142578125 34.37290599999999 8 Bianco1_MeOH_CE.raw 0.0 0 614.4837036132812 32.775924 9 Bianco1_MeOH_CE.raw 0.0 0 615.3481140136719 16.6745 10 Bianco1_MeOH_CE.raw 0.0 0 615.3495483398438 21.999558 11 Bianco1_MeOH_CE.raw 0.0 0 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560 1120.7598876953125 37.542308 561 1120.7601318359375 37.615778 562 1120.7601318359375 37.859838 563 1120.760498046875 37.885787 564 1120.7593994140625 37.930906 565 1120.7601318359375 37.985873 566 1120.759521484375 38.042433 567 1120.7601318359375 38.088184 568 1120.759033203125 38.13705 569 1120.759765625 38.826618 570 1121.766357421875 35.769225 571 1121.779296875 35.735811 572 1121.7774047851562 35.805441 573 1122.7318115234375 35.265972 574 1122.7316284179688 35.70234 575 1123.75537109375 35.989198 576 1123.7586669921875 36.841138 577 1123.7589111328125 37.926449 578 1123.80078125 38.40598 579 1133.7542724609375 35.769225 580 1134.7753295898438 37.328839 581 1134.7747802734375 38.40598 582 1135.78662109375 38.530636 583 1135.7953491210938 38.722706 584 1135.79541015625 38.94687 585 1135.7964477539062 38.98091 586 1136.746337890625 36.807444 587 1137.7733764648438 37.314379 588 1137.7747802734375 37.537851 589 1137.7744140625 37.673345 590 1137.7744140625 39.263323 591 1138.7344970703125 33.931451 592 1138.7332153320312 34.336815 593 1147.7706298828125 35.769225 594 1147.770751953125 36.405715 595 1147.771240234375 36.589956 596 1149.7854614257812 35.265972 597 1149.7855224609375 35.769225 598 1149.8129272460938 37.673345 599 1149.8114624023438 38.40598 600 1149.86962890625 23.380564 601 1150.768310546875 38.40598 602 1151.7904052734375 40.826471 603 1151.7908935546875 40.856355 604 1152.748291015625 35.265972 605 1161.7850952148438 36.740811 606 1161.7864379882812 37.293978 607 1161.786376953125 38.27225 608 1163.80224609375 36.589956 609 1166.7640991210938 35.955449 610 1166.7703857421875 36.296498 611 1166.7637939453125 36.774337 612 1166.763671875 37.314379 613 1166.7642822265625 38.686023 614 1166.7648315429688 38.98091 615 1175.802001953125 38.338931 616 1180.7802734375 37.293978 617 1180.780029296875 37.673345 618 1180.779541015625 38.40598 619 1188.7950439453125 36.589956 620 1202.8104248046875 38.338931 621 1225.114501953125 22.063146 622 1233.0980224609375 22.094941 623 1234.102294921875 22.031353 624 1252.12939453125 19.115444 625 1260.1138916015625 19.115444 626 1384.7793579101562 22.159058 nf_output/networking/network.graphml0000644000000000000000000241760314677304070017060 0ustar rootroot 601.3337 20.54 20.54 0 7 1082.5657 15.96 15.96 0 21 1067.7328 35.77 35.77 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 815.2141 16.18 16.18 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1149.8115 38.41 38.41 0 4 943.5284 21.45 21.45 0 25 815.2134 16.35 16.35 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 634.3931 12.29 12.29 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 943.528 22.64 22.64 0 25 615.3481 16.67 16.67 0 74 1050.6699 31.29 31.29 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 628.478 28.19 28.19 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 836.4543 19.99 19.99 0 11 1040.6323 34.85 34.85 0 4 748.4024 24.52 24.52 0 72 918.8131 39.29 39.29 0 16 659.2703 17.36 17.36 0 92 1039.7039 34.41 34.41 0 2 1147.7706 35.77 35.77 0 36 1166.7638 36.77 36.77 0 15 821.4307 19.15 19.15 0 11 808.4232 18.32 18.32 0 11 1123.7587 36.84 36.84 0 4 741.1942 16.32 16.32 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 788.4541 18.58 18.58 0 11 1121.7774 35.81 35.81 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 718.5381 31.2 31.2 0 1 PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\\C=C/CCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1 1079.7329 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 899.524 18.72 18.72 0 11 682.4888 28.19 28.19 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 1108.7608 38.41 38.41 0 4 636.3392 14.97 14.97 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1018.6808 38.72 38.72 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1081.7515 40.3 40.3 0 4 1188.795 36.59 36.59 0 36 815.2148 39.0 39.0 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1137.7744 39.26 39.26 0 4 820.4237 19.5 19.5 0 11 826.4338 17.05 17.05 0 11 1109.7441 35.04 35.04 0 4 741.1954 14.9 14.9 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1180.7803 37.29 37.29 0 15 1161.7864 37.29 37.29 0 36 841.4117 19.15 19.15 0 54 959.5232 19.95 19.95 0 25 1122.7316 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1115.6989 32.71 32.71 0 64 1069.7126 33.93 33.93 0 4 780.4281 22.45 22.45 0 72 918.8138 38.99 38.99 0 9 842.4042 20.5 20.5 0 93 1050.7062 40.93 40.93 0 30 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 741.1951 14.75 14.75 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1038.6672 34.44 34.44 0 2 1081.7508 40.31 40.31 0 4 865.4814 20.7 20.7 0 11 628.4794 34.85 34.85 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 815.2144 16.13 16.13 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 780.4282 19.47 19.47 0 42 1120.7598 38.83 38.83 0 17 1090.6089 35.99 35.99 0 10 865.4444 18.72 18.72 0 11 815.2141 16.14 16.14 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1053.7208 34.97 34.97 0 4 741.1955 16.22 16.22 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 741.1947 16.61 16.61 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 627.35 14.83 14.83 0 12 5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one COc1cccc2cc3c(c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c12)C(C)OC3=O InChI=1S/C26H32O14/c1-9-15-11(24(34)37-9)6-10-4-3-5-12(35-2)16(10)23(15)40-26-22(33)20(31)18(29)14(39-26)8-36-25-21(32)19(30)17(28)13(7-27)38-25/h3-6,9,13-14,17-22,25-33H,7-8H2,1-2H3/t9?,13-,14-,17-,18-,19+,20+,21-,22-,25-,26+/m1/s1 741.1949 14.83 14.83 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1068.7167 34.27 34.27 0 22 943.5255 21.22 21.22 0 25 1109.7422 37.51 37.51 0 2 1024.6524 32.81 32.81 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1035.6198 34.37 34.37 0 37 918.8126 35.87 35.87 0 14 1134.7753 37.33 37.33 0 36 1052.6862 35.11 35.11 0 67 1090.61 38.81 38.81 0 18 761.3866 23.93 23.93 0 3 N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide O=C1C=C2C(=CC=C1NC(C(=O)N3CC=4NC=5C=CC=CC5C4CC3)C)C6=C(OC)C(OC)=C(OC)C=C6CCC2NC(=O)C InChI=1S/C35H38N4O6/c1-19(35(42)39-15-14-23-22-8-6-7-9-26(22)38-29(23)18-39)36-28-13-11-24-25(17-30(28)41)27(37-20(2)40)12-10-21-16-31(43-3)33(44-4)34(45-5)32(21)24/h6-9,11,13,16-17,19,27,38H,10,12,14-15,18H2,1-5H3,(H,36,41)(H,37,40) 967.5504 21.06 21.06 0 25 628.4787 35.04 35.04 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 918.8122 37.59 37.59 0 16 839.4661 18.22 18.22 0 11 1076.594 35.96 35.96 0 10 741.1957 14.73 14.73 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 796.3684 16.48 16.48 0 78 634.3929 11.94 11.94 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 636.3389 14.91 14.91 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1120.7601 37.86 37.86 0 17 1100.5784 15.0 15.0 0 12 973.5397 26.44 26.44 0 25 990.6449 33.87 33.87 0 41 1044.6573 34.64 34.64 0 10 CHEBI:182584 C/C=C(\\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C InChI=1S/C54H86O17/c1-14-27(2)51(57)68-42-22-37-36(54(58)20-18-35(28(3)55)53(42,54)9)16-15-33-21-34(17-19-52(33,37)8)67-43-24-39(60-11)48(30(5)64-43)70-45-26-41(62-13)50(32(7)66-45)71-46-25-40(61-12)49(31(6)65-46)69-44-23-38(59-10)47(56)29(4)63-44/h14-15,29-32,34-50,56,58H,16-26H2,1-13H3/b27-14+ 665.3868 14.36 14.36 0 42 1081.7513 41.0 41.0 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1081.7491 40.89 40.89 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1040.6309 34.61 34.61 0 4 652.4041 11.04 11.04 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 815.2147 15.75 15.75 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1161.7851 36.74 36.74 0 36 953.5343 24.52 24.52 0 48 727.3658 15.66 15.66 0 3 1120.7601 38.09 38.09 0 17 842.4781 21.68 21.68 0 11 1120.759 38.14 38.14 0 17 815.2141 16.1 16.1 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1024.6537 33.24 33.24 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 702.5366 32.58 32.58 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 788.4342 24.75 24.75 0 68 821.455 17.66 17.66 0 11 1082.5659 15.95 15.95 0 21 806.4647 16.94 16.94 0 11 1121.7664 35.77 35.77 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1099.7061 34.78 34.78 0 64 895.5266 19.12 19.12 0 48 1034.6757 34.91 34.91 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1038.6674 34.17 34.17 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 657.3603 19.95 19.95 0 3 880.4444 17.21 17.21 0 11 1040.6304 34.21 34.21 0 4 1004.665 35.3 35.3 0 41 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 632.3439 21.97 21.97 0 65 632.3431 18.45 18.45 0 65 762.4177 19.5 19.5 0 74 1042.61 28.06 28.06 0 23 943.5286 21.06 21.06 0 25 657.3599 19.27 19.27 0 3 1042.6436 31.85 31.85 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 861.4498 18.72 18.72 0 11 1120.7599 37.54 37.54 0 17 832.4605 24.52 24.52 0 11 1120.7601 37.62 37.62 0 17 741.1952 16.13 16.13 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1082.5673 15.66 15.66 0 12 1038.67 26.87 26.87 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1135.7964 38.98 38.98 0 4 815.2143 40.7 40.7 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2143 38.91 38.91 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 918.8126 37.74 37.74 0 16 702.4178 19.66 19.66 0 3 1095.7643 40.52 40.52 0 4 780.429 20.44 20.44 0 72 1108.7605 37.37 37.37 0 4 1039.7017 32.61 32.61 0 4 753.418 20.15 20.15 0 11 752.4332 18.52 18.52 0 61 798.4386 18.09 18.09 0 42 628.4774 21.81 21.81 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 839.4661 17.96 17.96 0 11 1152.7483 35.27 35.27 0 15 770.4798 18.62 18.62 0 58 1024.6545 25.81 25.81 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2145 15.86 15.86 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1052.6851 28.35 28.35 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2144 40.93 40.93 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 808.4229 18.15 18.15 0 11 856.391 14.81 14.81 0 11 1034.6743 35.11 35.11 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2142 38.41 38.41 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 661.3325 17.01 17.01 0 12 980.6277 31.07 31.07 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1106.7435 37.62 37.62 0 35 822.4387 17.4 17.4 0 11 1166.7637 37.31 37.31 0 15 1050.7073 38.41 38.41 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 838.3801 15.95 15.95 0 11 838.4472 12.89 12.89 0 12 Tyr-C8:0 CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) 831.3869 21.9 21.9 0 34 815.2147 15.83 15.83 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 917.5127 23.96 23.96 0 11 1106.7434 37.86 37.86 0 96 1081.7493 40.44 40.44 0 4 1149.8129 37.67 37.67 0 4 1120.7601 37.99 37.99 0 17 1054.6479 35.04 35.04 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 790.4142 22.48 22.48 0 11 1137.7734 37.31 37.31 0 4 784.4604 22.84 22.84 0 11 1076.5944 34.57 34.57 0 10 1022.675 32.94 32.94 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 904.591 31.2 31.2 0 76 627.3476 17.01 17.01 0 12 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione CC(C)CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)c2nc3ccccc3c(=O)n21 InChI=1S/C27H29N5O4/c1-14(2)12-19-25(35)32-20-11-7-5-9-17(20)27(36,26(32)30-19)13-21-23(33)28-15(3)22-29-18-10-6-4-8-16(18)24(34)31(21)22/h4-11,14-15,19,21,26,30,36H,12-13H2,1-3H3,(H,28,33) 619.344 20.15 20.15 0 7 675.3703 16.78 16.78 0 3 842.4037 19.92 19.92 0 54 987.5175 18.29 18.29 0 25 1234.1023 22.03 22.03 0 34 1081.7494 40.43 40.43 0 4 867.4964 18.22 18.22 0 11 628.499 33.83 33.83 0 55 724.4011 17.36 17.36 0 11 808.4228 18.79 18.79 0 11 815.2149 39.01 39.01 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 980.6626 33.9 33.9 0 89 822.4064 14.88 14.88 0 11 1095.7671 40.01 40.01 0 4 1070.6422 35.54 35.54 0 4 614.4614 34.37 34.37 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 784.4612 22.64 22.64 0 11 709.3544 16.94 16.94 0 3 1036.1235 33.83 33.83 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 696.4067 18.95 18.95 0 42 849.3966 19.18 19.18 0 57 806.407 20.31 20.31 0 11 918.8137 39.42 39.42 0 16 1095.7659 35.34 35.34 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1022.6757 35.3 35.3 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 856.444 16.94 16.94 0 11 1064.725 40.14 40.14 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1106.7448 36.21 36.21 0 53 1053.7164 36.87 36.87 0 2 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 628.4785 34.93 34.93 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 1095.7676 39.91 39.91 0 4 1064.7231 40.59 40.59 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1018.6821 37.08 37.08 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 806.4104 17.72 17.72 0 11 1138.7345 33.93 33.93 0 15 657.3594 20.02 20.02 0 3 788.4009 20.5 20.5 0 11 804.4293 22.0 22.0 0 11 1082.5667 16.38 16.38 0 21 709.3546 16.47 16.47 0 3 918.8136 37.14 37.14 0 16 864.4872 21.61 21.61 0 11 918.8119 38.57 38.57 0 33 846.4766 25.48 25.48 0 11 815.216 39.47 39.47 0 51 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 670.4283 16.13 16.13 0 58 632.3428 17.72 17.72 0 65 1137.7744 37.67 37.67 0 4 1067.7333 34.61 34.61 0 4 1095.7604 37.04 37.04 0 4 1166.7641 35.96 35.96 0 15 1095.7675 40.3 40.3 0 4 815.2148 15.78 15.78 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1147.7708 36.41 36.41 0 36 815.214 16.12 16.12 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 850.4706 20.8 20.8 0 11 918.8141 39.53 39.53 0 16 838.4467 12.99 12.99 0 12 Tyr-C8:0 CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) 973.8185 35.96 35.96 0 84 760.579 34.44 34.44 0 45 Spectral Match to Nonaethylene glycol from NIST14 nan nan 657.3598 17.85 17.85 0 3 840.4666 17.66 17.66 0 11 918.8114 38.37 38.37 0 33 858.4753 19.37 19.37 0 11 1135.7953 38.72 38.72 0 4 822.4369 28.39 28.39 0 11 620.4368 27.5 27.5 0 19 Spectral Match to p-tert-Octylphenol heptaglycol ether from NIST14 nan nan 815.215 39.24 39.24 0 51 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 842.4056 20.7 20.7 0 93 1070.6425 35.04 35.04 0 4 1120.7605 37.89 37.89 0 17 1090.6098 37.96 37.96 0 18 943.5258 22.51 22.51 0 25 847.4349 20.8 20.8 0 11 1150.7683 38.41 38.41 0 4 918.8136 39.01 39.01 0 9 622.3237 15.13 15.13 0 12 versicoloritide_A_22810_dereplictor_pv_1.77097e-11 [H]N1C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H] InChI=1S/C31H37N5O5/c1-20-27(37)33-23(18-21-10-4-2-5-11-21)30(40)36-17-9-15-26(36)29(39)34-24(19-22-12-6-3-7-13-22)31(41)35-16-8-14-25(35)28(38)32-20/h2-7,10-13,20,23-26H,8-9,14-19H2,1H3,(H,32,38)(H,33,37)(H,34,39)/t20-,23-,24-,25-,26-/m0/s1 943.5294 21.26 21.26 0 25 918.8123 38.91 38.91 0 9 854.4646 18.45 18.45 0 11 633.3601 19.15 19.15 0 7 664.4626 27.37 27.37 0 19 Spectral Match to p-tert-Octylphenol undecaglycol ether from NIST14 nan nan 1106.7433 35.84 35.84 0 17 738.4176 17.72 17.72 0 11 741.5256 30.54 30.54 0 1 [2,3-di[octadeca-9,12-dienoyloxy]propoxy][2,3-dihydroxypropoxy]phosphinic acid 1020.6591 33.67 33.67 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1056.6259 34.17 34.17 0 4 614.4837 32.78 32.78 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 1151.7904 40.83 40.83 0 94 705.36 19.72 19.72 0 3 728.4339 24.55 24.55 0 72 1070.6415 31.26 31.26 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 628.4996 34.71 34.71 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 1042.6105 29.52 29.52 0 23 916.4557 18.58 18.58 0 11 1093.7471 36.77 36.77 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 614.4624 28.35 28.35 0 55 628.4996 24.36 24.36 0 55 657.3589 19.02 19.02 0 3 953.5338 17.69 17.69 0 25 1122.7318 35.27 35.27 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 652.4122 10.92 10.92 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 1151.7909 40.86 40.86 0 94 815.2141 16.15 16.15 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2139 37.37 37.37 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 839.4199 20.11 20.11 0 11 651.3712 15.27 15.27 0 42 815.2148 15.84 15.84 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1161.7864 38.27 38.27 0 36 2'-deoxycytidine Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1 InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 632.3436 18.02 18.02 0 65 815.2144 16.11 16.11 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 739.4004 18.35 18.35 0 11 1180.7795 38.41 38.41 0 15 1035.6196 33.93 33.93 0 37 1008.6591 37.14 37.14 0 26 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 741.1957 15.08 15.08 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1040.6313 33.7 33.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1106.7466 37.72 37.72 0 35 613.3477 17.96 17.96 0 28 853.4812 19.47 19.47 0 11 834.439 21.39 21.39 0 11 1100.5781 14.8 14.8 0 12 918.8123 36.07 36.07 0 14 1056.626 31.2 31.2 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1092.7267 35.3 35.3 0 49 1053.7172 35.16 35.16 0 2 1095.7665 40.33 40.33 0 4 1082.566 15.91 15.91 0 12 973.8187 36.18 36.18 0 84 1022.6386 26.71 26.71 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1092.7296 35.14 35.14 0 49 1081.752 40.21 40.21 0 4 621.3402 13.88 13.88 0 12 741.1946 36.84 36.84 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1120.7594 37.93 37.93 0 17 794.4436 18.29 18.29 0 11 1008.696 36.81 36.81 0 89 1093.5913 18.45 18.45 0 11 987.5174 17.26 17.26 0 25 1135.7866 38.53 38.53 0 4 739.9149 27.5 27.5 0 1 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 nan nan 776.3975 21.22 21.22 0 11 1120.7595 38.04 38.04 0 17 815.2142 37.33 37.33 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 633.3605 15.65 15.65 0 7 741.1951 14.88 14.88 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 740.5221 30.64 30.64 0 1 PE(18:1/18:2); [M+H]+ C41H77N1O8P1 nan nan 865.4821 20.47 20.47 0 11 646.36 23.25 23.25 0 65 1056.626 30.8 30.8 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 657.3593 18.39 18.39 0 3 815.2147 15.79 15.79 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 634.4522 29.79 29.79 0 19 Nonoxynol-9 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 "InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3" 1040.6841 31.2 31.2 0 22 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 640.478 28.32 28.32 0 55 DGTSA(16:0/18:1); [M+H]+ C44H84N1O7 nan nan 1068.6802 29.2 29.2 0 22 840.4492 17.85 17.85 0 11 838.3795 16.35 16.35 0 29 917.5132 23.61 23.61 0 11 721.3907 19.47 19.47 0 11 1166.7704 36.3 36.3 0 15 796.3685 16.91 16.91 0 78 1036.6537 27.87 27.87 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1036.6927 34.64 34.64 0 22 822.4387 19.12 19.12 0 11 822.3858 20.47 20.47 0 29 925.5028 22.0 22.0 0 48 1044.6957 33.57 33.57 0 22 1109.7828 39.53 39.53 0 4 842.4052 19.95 19.95 0 54 1056.6259 34.64 34.64 0 4 632.3423 17.43 17.43 0 65 899.5237 18.22 18.22 0 11 1081.7506 40.29 40.29 0 4 719.3755 20.76 20.76 0 3 741.195 36.46 36.46 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 918.8117 37.64 37.64 0 16 633.361 14.33 14.33 0 7 940.6332 29.49 29.49 0 22 1175.802 38.34 38.34 0 36 636.3391 14.96 14.96 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1079.732 35.34 35.34 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1166.7643 38.69 38.69 0 15 804.3951 17.17 17.17 0 11 1106.7433 37.74 37.74 0 35 650.3539 17.72 17.72 0 65 1038.6675 34.81 34.81 0 2 1064.7236 39.26 39.26 0 30 [Leu7]-Surfactin_C14i_monomethyl_ester_45019_dereplictor_pv_9.54813e-25 [H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(65)55-38(24-31(3)4)48(66)57-40(26-33(7)8)51(69)60-46(35(11)12)52(70)58-41(29-45(64)72-13)50(68)56-39(25-32(5)6)49(67)59-42(27-34(9)10)53(71)73-36/h30-42,46H,14-29H2,1-13H3,(H,54,61)(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,62,63)/t36?,37-,38+,39-,40?,41+,42+,46+/m1/s1 1166.7648 38.98 38.98 0 15 716.5519 34.64 34.64 0 45 Amafolone CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O "InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1" 1070.6414 32.28 32.28 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1120.7589 37.19 37.19 0 17 815.2139 40.69 40.69 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 647.3753 15.96 15.96 0 42 658.5101 32.68 32.68 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 659.2701 17.75 17.75 0 92 815.2151 40.98 40.98 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 739.4134 27.27 27.27 0 1 815.2136 40.61 40.61 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1260.1139 19.12 19.12 0 57 918.8125 39.23 39.23 0 16 1082.5663 15.89 15.89 0 12 1056.6262 29.3 29.3 0 52 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 838.4336 17.05 17.05 0 29 672.5258 34.64 34.64 0 45 11-Deoxy-PGE1 CCCCCC(O)C=CC1CCC(=O)C1CCCCCCC(=O)O "InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1" 973.8185 36.37 36.37 0 84 1137.7748 37.54 37.54 0 4 918.8127 39.02 39.02 0 9 815.2155 40.96 40.96 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 878.5753 31.26 31.26 0 76 PE(16:0/18:1); [M-H]- C39H75N1O8P1 nan nan 815.2148 40.83 40.83 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 836.4539 19.02 19.02 0 61 1123.7589 37.93 37.93 0 4 1123.8008 38.41 38.41 0 4 880.4442 17.72 17.72 0 11 651.3719 13.01 13.01 0 42 918.8124 37.95 37.95 0 16 1052.6801 35.3 35.3 0 67 741.3804 16.71 16.71 0 3 918.8124 36.37 36.37 0 14 1036.6918 36.57 36.57 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1008.6596 33.87 33.87 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1039.7102 34.78 34.78 0 4 615.3495 22.0 22.0 0 7 1050.6678 34.07 34.07 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 918.8124 37.84 37.84 0 16 1133.7543 35.77 35.77 0 36 918.8125 38.83 38.83 0 9 918.8112 38.47 38.47 0 33 1120.7607 37.08 37.08 0 17 721.3907 17.72 17.72 0 11 613.3463 17.79 17.79 0 28 815.2137 40.63 40.63 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 852.4492 18.76 18.76 0 11 1384.7794 22.16 22.16 0 48 632.3188 22.0 22.0 0 65 918.8126 38.04 38.04 0 16 1120.7584 36.59 36.59 0 17 1121.7793 35.74 35.74 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 953.5331 18.09 18.09 0 25 1048.6909 36.24 36.24 0 26 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 843.4406 20.83 20.83 0 11 1076.5942 36.07 36.07 0 10 1036.6903 33.74 33.74 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 943.5282 21.13 21.13 0 25 815.2145 38.95 38.95 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 697.3911 19.56 19.56 0 42 1106.7441 36.41 36.41 0 53 1022.638 31.36 31.36 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 838.4334 16.56 16.56 0 29 815.2144 40.76 40.76 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2138 16.0 16.0 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 880.4439 16.98 16.98 0 11 1109.7423 35.7 35.7 0 4 918.8128 38.98 38.98 0 9 1053.7153 36.72 36.72 0 2 790.4131 20.57 20.57 0 11 1202.8104 38.34 38.34 0 36 741.1947 16.26 16.26 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 841.9131 19.15 19.15 0 54 822.4069 15.5 15.5 0 11 959.5222 18.99 18.99 0 25 826.4335 17.26 17.26 0 11 1138.7332 34.34 34.34 0 15 1036.6533 32.74 32.74 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1090.6086 36.37 36.37 0 10 1180.78 37.67 37.67 0 15 889.4807 17.01 17.01 0 12 1076.5917 35.23 35.23 0 10 1123.7554 35.99 35.99 0 4 1108.7591 37.7 37.7 0 4 1095.767 40.34 40.34 0 4 1118.6413 40.62 40.62 0 18 1054.6975 32.55 32.55 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 905.4762 20.8 20.8 0 11 633.3609 19.99 19.99 0 7 918.812 36.01 36.01 0 14 953.535 17.92 17.92 0 25 741.1935 36.59 36.59 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1022.6775 32.55 32.55 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 943.512 19.15 19.15 0 48 721.3901 18.05 18.05 0 11 815.2138 40.65 40.65 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1018.6809 36.24 36.24 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 918.8122 36.94 36.94 0 16 753.4174 19.92 19.92 0 11 1095.7647 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 788.4344 24.26 24.26 0 68 741.1954 16.17 16.17 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 671.4117 17.53 17.53 0 58 PerindoprilErbumine CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1 1090.6101 37.08 37.08 0 18 636.3393 15.01 15.01 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1120.7595 36.41 36.41 0 17 1095.7667 40.31 40.31 0 4 1149.7855 35.77 35.77 0 36 1136.7463 36.81 36.81 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2143 40.64 40.64 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 856.3915 14.44 14.44 0 11 838.4335 18.05 18.05 0 11 953.5325 17.46 17.46 0 25 918.813 39.13 39.13 0 16 762.385 19.5 19.5 0 78 943.5262 21.09 21.09 0 25 1050.6699 28.94 28.94 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 815.2136 15.96 15.96 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2141 16.22 16.22 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 794.4076 17.66 17.66 0 11 918.812 38.14 38.14 0 16 953.5335 17.26 17.26 0 25 815.2144 37.48 37.48 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2155 40.94 40.94 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 705.3596 19.99 19.99 0 3 1163.8022 36.59 36.59 0 36 1018.6796 38.57 38.57 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 840.449 17.4 17.4 0 11 822.4069 15.14 15.14 0 11 808.4234 20.15 20.15 0 11 636.4234 32.25 32.25 0 1 PE(16:0_16:1) - (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\\C=C/CCCCCC InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1 1067.733 37.46 37.46 0 2 762.4185 28.29 28.29 0 72 770.4446 21.22 21.22 0 11 1134.7748 38.41 38.41 0 17 815.2147 15.77 15.77 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 709.3547 16.71 16.71 0 3 918.812 37.93 37.93 0 16 1026.6148 32.68 32.68 0 23 1053.717 36.37 36.37 0 2 1022.5546 18.79 18.79 0 11 633.3598 16.49 16.49 0 42 691.3439 18.85 18.85 0 3 650.3543 22.0 22.0 0 65 943.5264 22.8 22.8 0 25 940.4666 18.05 18.05 0 11 1147.7712 36.59 36.59 0 36 1070.6412 29.85 29.85 0 52 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1106.7435 37.82 37.82 0 96 918.8115 36.46 36.46 0 14 1095.7677 40.11 40.11 0 4 1149.7855 35.27 35.27 0 36 1135.7954 38.95 38.95 0 4 850.4866 21.29 21.29 0 11 716.5521 35.77 35.77 0 45 Amafolone CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O "InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1" 918.813 39.32 39.32 0 16 852.4288 24.78 24.78 0 11 918.8131 36.18 36.18 0 14 1106.7436 37.54 37.54 0 35 721.3907 18.22 18.22 0 11 959.5227 18.58 18.58 0 25 1233.098 22.09 22.09 0 34 815.2131 17.08 17.08 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1109.7795 36.77 36.77 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1032.6957 38.44 38.44 0 41 1062.5772 34.37 34.37 0 10 633.4537 24.36 24.36 0 65 1106.7429 35.5 35.5 0 17 1054.647 35.54 35.54 0 4 1118.6412 40.49 40.49 0 18 629.3656 23.29 23.29 0 7 -18.01 -18 0.8747 0 1 11 7 Cosine 0.8747 -14.016 -14 0.926 0 1 10 7 Cosine 0.926 0.0 0 1.0 0 505 504 21 Cosine 1.0 -0.001 0 0.7781 0 505 506 21 Cosine 0.7781 -28.032 -28 0.9626 0 474 520 4 Cosine 0.9626 -14.016 -14 0.9302 0 474 499 4 Cosine 0.9302 -14.019 -14 0.9302 0 474 500 4 Cosine 0.9302 -28.033 -28 0.9553 0 474 519 4 Cosine 0.9553 -11.999 -11 0.9731 0 474 491 4 Cosine 0.9731 -12.0 -12 0.9616 0 474 492 4 Cosine 0.9616 -54.999 -54 0.9282 0 474 574 4 Cosine 0.9282 0.0 0 1.0 0 186 187 31 Cosine 1.0 0.001 0 0.9897 0 186 189 31 Cosine 0.9897 0.001 0 1.0 0 186 188 31 Cosine 1.0 0.0 0 1.0 0 186 184 31 Cosine 1.0 0.0 0 1.0 0 186 183 31 Cosine 1.0 -0.0 0 0.9893 0 186 195 31 Cosine 0.9893 0.0 0 1.0 0 186 185 31 Cosine 1.0 -26.011 -26 0.9253 0 599 578 4 Cosine 0.9253 -41.051 -41 0.9306 0 599 545 4 Cosine 0.9306 -43.989 -43 0.9277 0 360 382 25 Cosine 0.9277 0.001 0 1.0 0 360 359 25 Cosine 1.0 -0.002 0 0.9704 0 360 356 25 Cosine 0.9704 -15.994 -15 0.9692 0 360 370 25 Cosine 0.9692 0.0 0 0.9704 0 360 361 25 Cosine 0.9704 -10.005 -10 0.9192 0 360 364 25 Cosine 0.9192 -0.003 0 1.0 0 360 354 25 Cosine 1.0 -0.003 0 0.9704 0 360 355 25 Cosine 0.9704 -15.994 -15 0.9754 0 360 369 25 Cosine 0.9754 -15.995 -15 0.9352 0 360 371 25 Cosine 0.9352 0.001 0 1.0 0 188 187 31 Cosine 1.0 0.0 0 0.9897 0 188 189 31 Cosine 0.9897 0.001 0 1.0 0 188 183 31 Cosine 1.0 0.001 0 1.0 0 188 184 31 Cosine 1.0 0.001 0 1.0 0 188 185 31 Cosine 1.0 -0.001 0 0.9893 0 188 195 31 Cosine 0.9893 -0.0 0 0.9987 0 40 39 85 Cosine 0.9987 -18.019 -18 0.8661 0 40 58 85 Cosine 0.8661 -18.011 -18 0.8661 0 40 59 85 Cosine 0.8661 0.0 0 0.902 0 361 358 25 Cosine 0.902 0.001 0 0.9704 0 361 359 25 Cosine 0.9704 -0.002 0 0.902 0 361 353 25 Cosine 0.902 -0.002 0 1.0 0 361 356 25 Cosine 1.0 -15.994 -15 0.9678 0 361 370 25 Cosine 0.9678 -0.003 0 0.9704 0 361 354 25 Cosine 0.9704 -0.002 0 1.0 0 361 355 25 Cosine 1.0 0.001 0 0.902 0 361 357 25 Cosine 0.902 -15.995 -15 0.9676 0 361 369 25 Cosine 0.9676 -15.995 -15 0.9276 0 361 371 25 Cosine 0.9276 -147.07 -147 0.7399 0 9 134 74 Cosine 0.7399 -8.026 -8 0.9398 0 438 432 23 Cosine 0.9398 -70.042 -70 0.9349 0 438 377 23 Cosine 0.9349 -30.011 -30 0.9328 0 438 395 23 Cosine 0.9328 -28.032 -28 0.9138 0 438 398 23 Cosine 0.9138 -28.031 -28 0.9499 0 438 397 23 Cosine 0.9499 -14.053 -14 0.9322 0 438 472 23 Cosine 0.9322 -42.01 -42 0.9354 0 438 386 23 Cosine 0.9354 -13.978 -13 0.9289 0 438 417 23 Cosine 0.9289 0.0 0 0.9534 0 438 437 23 Cosine 0.9534 -0.001 0 0.7506 0 19 18 55 Cosine 0.7506 -14.032 -14 0.8506 0 241 274 11 Cosine 0.8506 -28.033 -28 0.8671 0 241 289 11 Cosine 0.8671 -14.016 -14 0.8117 0 428 453 4 Cosine 0.8117 -14.016 -14 0.8967 0 127 135 72 Cosine 0.8967 0.0 0 0.9727 0 342 320 16 Cosine 0.9727 -0.001 0 0.9727 0 342 319 16 Cosine 0.9727 -0.001 0 0.9737 0 342 321 16 Cosine 0.9737 -0.001 0 0.9737 0 342 322 16 Cosine 0.9737 -0.0 0 0.9737 0 342 323 16 Cosine 0.9737 -0.0 0 1.0 0 342 340 16 Cosine 1.0 -0.001 0 1.0 0 342 341 16 Cosine 1.0 0.0 0 1.0 0 342 343 16 Cosine 1.0 -0.001 0 1.0 0 342 344 16 Cosine 1.0 -0.001 0 1.0 0 342 345 16 Cosine 1.0 0.0 0 1.0 0 69 70 92 Cosine 1.0 -28.029 -28 0.8018 0 423 475 2 Cosine 0.8018 -1.037 -1 0.8267 0 423 420 2 Cosine 0.8267 -1.036 -1 0.8267 0 423 421 2 Cosine 0.8267 -14.013 -14 0.8995 0 423 449 2 Cosine 0.8995 -14.013 -14 0.8296 0 423 450 2 Cosine 0.8296 -2.015 -2 0.8701 0 593 597 36 Cosine 0.8701 -28.031 -28 0.9511 0 593 615 36 Cosine 0.9511 -14.016 -14 0.8996 0 593 579 36 Cosine 0.8996 -2.015 -2 0.8903 0 593 596 36 Cosine 0.8903 -14.015 -14 0.9561 0 593 605 36 Cosine 0.9561 -0.001 0 0.9344 0 611 614 15 Cosine 0.9344 -14.016 -14 0.9855 0 611 604 15 Cosine 0.9855 -14.016 -14 0.9703 0 611 618 15 Cosine 0.9703 -28.029 -28 0.972 0 611 591 15 Cosine 0.972 -28.031 -28 0.9343 0 611 592 15 Cosine 0.9343 0.007 0 1.0 0 611 610 15 Cosine 1.0 0.0 0 0.9265 0 611 612 15 Cosine 0.9265 -0.0 0 0.9344 0 611 613 15 Cosine 0.9344 -14.016 -14 0.9194 0 611 616 15 Cosine 0.9194 -14.016 -14 0.9247 0 611 617 15 Cosine 0.9247 -1.006 -1 0.8595 0 221 229 11 Cosine 0.8595 -1.008 -1 0.9392 0 221 228 11 Cosine 0.9392 -14.014 -14 0.8816 0 166 229 11 Cosine 0.8816 -14.016 -14 0.9661 0 166 228 11 Cosine 0.9661 -0.0 0 1.0 0 166 165 11 Cosine 1.0 -2.016 -2 0.8741 0 166 162 11 Cosine 0.8741 -14.016 -14 0.9702 0 166 152 11 Cosine 0.9702 -12.028 -12 0.9266 0 576 582 4 Cosine 0.9266 -0.0 0 0.9513 0 576 577 4 Cosine 0.9513 -12.037 -12 0.9266 0 576 583 4 Cosine 0.9266 -13.979 -13 0.9401 0 576 549 4 Cosine 0.9401 -12.038 -12 0.9266 0 576 585 4 Cosine 0.9266 -12.037 -12 0.9266 0 576 584 4 Cosine 0.9266 0.001 0 0.9531 0 120 113 13 Cosine 0.9531 0.001 0 0.9531 0 120 111 13 Cosine 0.9531 0.001 0 0.9531 0 120 112 13 Cosine 0.9531 -0.0 0 1.0 0 120 121 13 Cosine 1.0 0.001 0 0.9531 0 120 110 13 Cosine 0.9531 0.001 0 1.0 0 120 116 13 Cosine 1.0 0.0 0 1.0 0 120 119 13 Cosine 1.0 0.001 0 1.0 0 120 117 13 Cosine 1.0 0.001 0 0.9531 0 120 115 13 Cosine 0.9531 0.001 0 0.9531 0 120 114 13 Cosine 0.9531 0.001 0 1.0 0 120 118 13 Cosine 1.0 -18.01 -18 0.898 0 149 136 11 Cosine 0.898 -17.956 -17 0.8742 0 149 161 11 Cosine 0.8742 -33.985 -33 0.9326 0 149 228 11 Cosine 0.9326 -33.983 -33 0.8486 0 149 229 11 Cosine 0.8486 -62.016 -62 0.9252 0 149 273 11 Cosine 0.9252 -76.033 -76 0.8883 0 149 289 11 Cosine 0.8883 -14.009 -14 0.9348 0 572 582 4 Cosine 0.9348 -0.011 0 1.0 0 572 570 4 Cosine 1.0 -42.045 -42 0.9356 0 572 491 4 Cosine 0.9356 -12.035 -12 0.9345 0 572 547 4 Cosine 0.9345 0.002 0 1.0 0 572 571 4 Cosine 1.0 -0.954 0 0.9586 0 572 573 4 Cosine 0.9586 -0.954 0 0.9601 0 572 574 4 Cosine 0.9601 -14.018 -14 0.9348 0 572 583 4 Cosine 0.9348 -14.018 -14 0.9348 0 572 584 4 Cosine 0.9348 -14.019 -14 0.9348 0 572 585 4 Cosine 0.9348 -82.115 -82 0.9251 0 94 46 1 Cosine 0.9251 -21.984 -21 0.7859 0 94 109 1 Cosine 0.7859 -16.032 -16 0.9688 0 492 520 4 Cosine 0.9688 -16.033 -16 0.9631 0 492 519 4 Cosine 0.9631 -42.999 -42 0.9184 0 492 573 4 Cosine 0.9184 -0.001 0 0.981 0 492 491 4 Cosine 0.981 -14.014 -14 0.9619 0 492 517 4 Cosine 0.9619 -32.028 -32 0.9075 0 307 295 11 Cosine 0.9075 -0.0 0 0.9493 0 307 306 11 Cosine 0.9493 -46.043 -46 0.8766 0 307 277 11 Cosine 0.8766 -54.011 -54 0.8587 0 80 18 55 Cosine 0.8587 -15.04 -15 0.941 0 545 578 4 Cosine 0.941 -12.994 -12 0.9293 0 545 528 4 Cosine 0.9293 -42.008 -42 0.8768 0 545 601 4 Cosine 0.8768 -12.994 -12 0.9293 0 545 527 4 Cosine 0.9293 -12.993 -12 0.9293 0 545 524 4 Cosine 0.9293 -12.994 -12 0.9293 0 545 526 4 Cosine 0.9293 -12.993 -12 0.9293 0 545 525 4 Cosine 0.9293 -12.996 -12 0.8941 0 545 529 4 Cosine 0.8941 -0.0 0 1.0 0 44 42 40 Cosine 1.0 -0.0 0 1.0 0 44 43 40 Cosine 1.0 -0.0 0 1.0 0 44 45 40 Cosine 1.0 -0.001 0 1.0 0 394 393 41 Cosine 1.0 -14.015 -14 0.9785 0 394 407 41 Cosine 0.9785 -28.036 -28 0.8639 0 394 383 41 Cosine 0.8639 0.001 0 0.9077 0 394 392 41 Cosine 0.9077 0.002 0 1.0 0 495 497 4 Cosine 1.0 -0.001 0 1.0 0 495 494 4 Cosine 1.0 0.001 0 1.0 0 495 496 4 Cosine 1.0 0.002 0 1.0 0 495 498 4 Cosine 1.0 -14.013 -14 0.9272 0 495 529 4 Cosine 0.9272 -41.024 -41 0.8236 0 619 594 36 Cosine 0.8236 -41.024 -41 0.8236 0 619 595 36 Cosine 0.8236 -27.01 -27 0.9067 0 619 605 36 Cosine 0.9067 -24.993 -24 0.8549 0 619 608 36 Cosine 0.8549 -14.015 -14 0.9523 0 619 620 36 Cosine 0.9523 -0.0 0 1.0 0 198 196 47 Cosine 1.0 -0.0 0 1.0 0 198 197 47 Cosine 1.0 -0.0 0 1.0 0 198 199 47 Cosine 1.0 -42.007 -42 0.9265 0 590 528 4 Cosine 0.9265 -14.016 -14 0.9342 0 590 577 4 Cosine 0.9342 -42.007 -42 0.9131 0 590 523 4 Cosine 0.9131 -42.008 -42 0.9265 0 590 527 4 Cosine 0.9265 -42.007 -42 0.9265 0 590 524 4 Cosine 0.9265 -42.007 -42 0.8919 0 590 522 4 Cosine 0.8919 -42.007 -42 0.9265 0 590 525 4 Cosine 0.9265 -42.008 -42 0.9265 0 590 526 4 Cosine 0.9265 -45.058 -45 0.8542 0 218 293 11 Cosine 0.8542 -45.058 -45 0.8542 0 218 292 11 Cosine 0.8542 -36.02 -36 0.874 0 218 283 11 Cosine 0.874 -49.979 -49 0.9077 0 218 136 11 Cosine 0.9077 -15.994 -15 0.9448 0 218 160 11 Cosine 0.9448 -14.015 -14 0.9652 0 218 238 11 Cosine 0.9652 -26.053 -26 0.8964 0 218 270 11 Cosine 0.8964 -102.033 -102 0.897 0 232 100 11 Cosine 0.897 0.0 0 1.0 0 232 233 11 Cosine 1.0 0.002 0 0.9861 0 546 547 4 Cosine 0.9861 -0.0 0 1.0 0 114 113 13 Cosine 1.0 -0.0 0 1.0 0 114 111 13 Cosine 1.0 -0.0 0 1.0 0 114 112 13 Cosine 1.0 0.001 0 0.9531 0 114 121 13 Cosine 0.9531 0.0 0 1.0 0 114 110 13 Cosine 1.0 0.0 0 0.9531 0 114 116 13 Cosine 0.9531 0.001 0 0.9531 0 114 119 13 Cosine 0.9531 0.0 0 0.9531 0 114 117 13 Cosine 0.9531 -0.0 0 1.0 0 114 115 13 Cosine 1.0 -0.0 0 0.9531 0 114 118 13 Cosine 0.9531 -14.016 -14 0.9227 0 616 614 15 Cosine 0.9227 0.0 0 0.9071 0 616 617 15 Cosine 0.9071 -14.016 -14 0.9472 0 616 609 15 Cosine 0.9472 -14.017 -14 0.8947 0 616 612 15 Cosine 0.8947 -42.047 -42 0.8412 0 616 592 15 Cosine 0.8412 -14.016 -14 0.9227 0 616 613 15 Cosine 0.9227 -42.046 -42 0.8494 0 616 591 15 Cosine 0.8494 -14.01 -14 0.9194 0 616 610 15 Cosine 0.9194 -27.011 -27 0.8476 0 606 580 36 Cosine 0.8476 -14.016 -14 0.7267 0 606 615 36 Cosine 0.7267 -14.016 -14 0.8122 0 606 594 36 Cosine 0.8122 0.0 0 0.7931 0 606 607 36 Cosine 0.7931 -14.015 -14 0.8122 0 606 595 36 Cosine 0.8122 -28.032 -28 0.7347 0 606 579 36 Cosine 0.7347 839.903 839 0.9176 0 259 260 54 Cosine 0.9176 839.412 839 0.7669 0 259 261 54 Cosine 0.7669 839.411 839 0.7669 0 259 263 54 Cosine 0.7669 -15.994 -15 0.9352 0 371 359 25 Cosine 0.9352 -15.997 -15 0.9276 0 371 356 25 Cosine 0.9276 -0.001 0 0.9214 0 371 370 25 Cosine 0.9214 -14.016 -14 0.9104 0 371 373 25 Cosine 0.9104 -15.998 -15 0.9352 0 371 354 25 Cosine 0.9352 -15.997 -15 0.9276 0 371 355 25 Cosine 0.9276 -26.967 -26 0.9417 0 574 520 4 Cosine 0.9417 -28.037 -28 0.939 0 574 601 4 Cosine 0.939 -0.965 0 0.9601 0 574 570 4 Cosine 0.9601 -26.966 -26 0.9224 0 574 519 4 Cosine 0.9224 0.0 0 0.982 0 574 573 4 Cosine 0.982 -0.952 0 0.9601 0 574 571 4 Cosine 0.9601 -43.0 -43 0.9313 0 574 491 4 Cosine 0.9313 -14.015 -14 0.9626 0 574 586 4 Cosine 0.9626 -15.993 -15 0.8305 0 553 530 64 Cosine 0.8305 -15.992 -15 0.8108 0 478 448 4 Cosine 0.8108 -18.01 -18 0.8702 0 141 135 72 Cosine 0.8702 0.001 0 0.9308 0 141 140 72 Cosine 0.9308 -0.001 0 1.0 0 337 336 9 Cosine 1.0 -0.001 0 1.0 0 337 334 9 Cosine 1.0 0.0 0 1.0 0 337 338 9 Cosine 1.0 -0.001 0 1.0 0 337 335 9 Cosine 1.0 0.001 0 1.0 0 337 339 9 Cosine 1.0 -0.001 0 1.0 0 262 264 93 Cosine 1.0 -14.017 -14 0.8219 0 441 470 30 Cosine 0.8219 0.0 0 1.0 0 111 113 13 Cosine 1.0 0.001 0 1.0 0 111 110 13 Cosine 1.0 0.0 0 1.0 0 111 112 13 Cosine 1.0 -0.001 0 1.0 0 111 115 13 Cosine 1.0 -0.0 0 0.9531 0 111 116 13 Cosine 0.9531 -0.0 0 0.9531 0 111 117 13 Cosine 0.9531 -0.0 0 0.9531 0 111 118 13 Cosine 0.9531 0.0 0 0.9531 0 111 119 13 Cosine 0.9531 0.0 0 0.9531 0 111 121 13 Cosine 0.9531 -0.0 0 1.0 0 420 421 2 Cosine 1.0 0.001 0 1.0 0 496 497 4 Cosine 1.0 0.002 0 1.0 0 496 498 4 Cosine 1.0 -0.0 0 1.0 0 496 494 4 Cosine 1.0 -14.013 -14 0.9272 0 496 529 4 Cosine 0.9272 0.001 0 1.0 0 293 292 11 Cosine 1.0 -88.073 -88 0.964 0 20 93 45 Cosine 0.964 -0.02 0 0.9882 0 20 25 45 Cosine 0.9882 -44.046 -44 0.9718 0 20 77 45 Cosine 0.9718 -13.996 -13 0.9507 0 20 8 45 Cosine 0.9507 -30.031 -30 0.8095 0 20 68 45 Cosine 0.8095 -14.018 -14 0.9507 0 20 7 45 Cosine 0.9507 0.001 0 1.0 0 20 21 45 Cosine 1.0 0.001 0 0.9915 0 20 22 45 Cosine 0.9915 -88.073 -88 0.9589 0 20 92 45 Cosine 0.9589 -132.1 -132 0.9159 0 20 131 45 Cosine 0.9159 0.0 0 1.0 0 183 187 31 Cosine 1.0 0.001 0 0.9897 0 183 189 31 Cosine 0.9897 0.0 0 1.0 0 183 184 31 Cosine 1.0 0.0 0 1.0 0 183 185 31 Cosine 1.0 0.0 0 0.9893 0 183 195 31 Cosine 0.9893 -147.068 -147 0.8166 0 139 35 42 Cosine 0.8166 -18.01 -18 0.9022 0 139 157 42 Cosine 0.9022 -84.022 -84 0.896 0 139 82 42 Cosine 0.896 0.0 0 0.9619 0 569 565 17 Cosine 0.9619 -0.0 0 0.9619 0 569 566 17 Cosine 0.9619 0.0 0 0.9619 0 569 567 17 Cosine 0.9619 -0.001 0 0.9619 0 569 568 17 Cosine 0.9619 -14.015 -14 0.8435 0 507 490 10 Cosine 0.8435 -14.015 -14 0.8303 0 507 487 10 Cosine 0.8303 -45.952 -45 0.7774 0 507 433 10 Cosine 0.7774 -14.017 -14 0.718 0 507 488 10 Cosine 0.718 -14.015 -14 0.8435 0 507 489 10 Cosine 0.8435 0.0 0 0.8343 0 507 508 10 Cosine 0.8343 -43.037 -43 0.8822 0 290 226 11 Cosine 0.8822 -18.01 -18 0.9119 0 290 271 11 Cosine 0.9119 0.0 0 1.0 0 184 187 31 Cosine 1.0 0.001 0 0.9897 0 184 189 31 Cosine 0.9897 0.0 0 1.0 0 184 185 31 Cosine 1.0 -0.0 0 0.9893 0 184 195 31 Cosine 0.9893 -14.019 -14 0.8025 0 448 422 4 Cosine 0.8025 -0.927 0 0.7951 0 448 453 4 Cosine 0.7951 -14.012 -14 0.8173 0 448 473 4 Cosine 0.8173 -0.0 0 0.9531 0 118 113 13 Cosine 0.9531 -0.001 0 0.9531 0 118 112 13 Cosine 0.9531 0.001 0 1.0 0 118 121 13 Cosine 1.0 0.0 0 0.9531 0 118 110 13 Cosine 0.9531 -0.0 0 1.0 0 118 116 13 Cosine 1.0 0.001 0 1.0 0 118 119 13 Cosine 1.0 -0.0 0 1.0 0 118 117 13 Cosine 1.0 0.0 0 0.9531 0 118 115 13 Cosine 0.9531 0.0 0 0.9531 0 121 113 13 Cosine 0.9531 0.0 0 0.9531 0 121 112 13 Cosine 0.9531 0.001 0 0.9531 0 121 110 13 Cosine 0.9531 0.001 0 0.9531 0 121 115 13 Cosine 0.9531 0.0 0 1.0 0 121 116 13 Cosine 1.0 0.001 0 1.0 0 121 117 13 Cosine 1.0 0.0 0 1.0 0 121 119 13 Cosine 1.0 -262.131 -262 0.8081 0 15 303 12 Cosine 0.8081 0.002 0 0.9687 0 15 16 12 Cosine 0.9687 -211.097 -211 0.7337 0 15 249 12 Cosine 0.7337 -211.097 -211 0.7337 0 15 250 12 Cosine 0.7337 -0.0 0 1.0 0 112 113 13 Cosine 1.0 0.001 0 1.0 0 112 110 13 Cosine 1.0 -0.001 0 1.0 0 112 115 13 Cosine 1.0 -0.0 0 0.9531 0 112 116 13 Cosine 0.9531 -0.0 0 0.9531 0 112 117 13 Cosine 0.9531 0.0 0 0.9531 0 112 119 13 Cosine 0.9531 -128.083 -128 0.9271 0 477 351 22 Cosine 0.9271 -14.019 -14 0.9463 0 477 455 22 Cosine 0.9463 -24.021 -24 0.9608 0 477 435 22 Cosine 0.9608 -43.992 -43 0.9277 0 354 382 25 Cosine 0.9277 -0.004 0 1.0 0 354 359 25 Cosine 1.0 -0.001 0 0.9704 0 354 356 25 Cosine 0.9704 -15.997 -15 0.9692 0 354 370 25 Cosine 0.9692 -10.008 -10 0.9192 0 354 364 25 Cosine 0.9192 -0.0 0 0.9704 0 354 355 25 Cosine 0.9704 -15.997 -15 0.9754 0 354 369 25 Cosine 0.9754 -42.009 -42 0.869 0 548 475 2 Cosine 0.869 -31.974 -31 0.7983 0 403 457 23 Cosine 0.7983 -1.977 -1 0.9213 0 403 401 23 Cosine 0.9213 -0.001 0 0.8126 0 403 404 23 Cosine 0.8126 -14.015 -14 0.8065 0 403 419 23 Cosine 0.8065 -0.0 0 0.9543 0 411 410 37 Cosine 0.9543 0.001 0 1.0 0 313 314 14 Cosine 1.0 -0.0 0 1.0 0 313 316 14 Cosine 1.0 0.0 0 0.8823 0 313 317 14 Cosine 0.8823 0.001 0 0.8823 0 313 318 14 Cosine 0.8823 0.0 0 1.0 0 313 315 14 Cosine 1.0 0.006 0 1.0 0 445 446 67 Cosine 1.0 -0.0 0 0.7081 0 511 510 18 Cosine 0.7081 -70.043 -70 0.8758 0 132 81 3 Cosine 0.8758 -104.028 -104 0.8802 0 132 64 3 Cosine 0.8802 -104.027 -104 0.8898 0 132 62 3 Cosine 0.8898 -56.027 -56 0.8593 0 132 86 3 Cosine 0.8593 -14.017 -14 0.9274 0 372 362 25 Cosine 0.9274 -14.018 -14 0.9274 0 372 363 25 Cosine 0.9274 -5.989 -5 0.8722 0 372 373 25 Cosine 0.8722 -19.967 -19 0.9033 0 372 381 25 Cosine 0.9033 -88.073 -88 0.9635 0 22 93 45 Cosine 0.9635 -0.021 0 0.9909 0 22 25 45 Cosine 0.9909 -44.047 -44 0.9766 0 22 77 45 Cosine 0.9766 -13.995 -13 0.9512 0 22 8 45 Cosine 0.9512 -30.031 -30 0.8109 0 22 68 45 Cosine 0.8109 -14.017 -14 0.9512 0 22 7 45 Cosine 0.9512 -0.0 0 0.9915 0 22 21 45 Cosine 0.9915 -88.073 -88 0.9676 0 22 92 45 Cosine 0.9676 -132.1 -132 0.9182 0 22 131 45 Cosine 0.9182 -0.002 0 0.9737 0 321 345 16 Cosine 0.9737 0.0 0 0.9978 0 321 328 16 Cosine 0.9978 -0.001 0 0.9737 0 321 343 16 Cosine 0.9737 0.0 0 1.0 0 321 322 16 Cosine 1.0 -0.0 0 1.0 0 321 323 16 Cosine 1.0 -0.001 0 0.9737 0 321 340 16 Cosine 0.9737 -0.0 0 0.9978 0 321 326 16 Cosine 0.9978 -0.0 0 0.9978 0 321 324 16 Cosine 0.9978 0.0 0 0.9978 0 321 325 16 Cosine 0.9978 -0.0 0 0.9978 0 321 327 16 Cosine 0.9978 -0.0 0 0.9737 0 321 341 16 Cosine 0.9737 -0.002 0 0.9737 0 321 344 16 Cosine 0.9737 -1.0 -1 0.9223 0 253 258 11 Cosine 0.9223 -254.125 -254 0.879 0 253 516 11 Cosine 0.879 -0.0 0 1.0 0 489 490 10 Cosine 1.0 0.0 0 0.8448 0 489 487 10 Cosine 0.8448 -0.002 0 0.7899 0 489 488 10 Cosine 0.7899 -31.937 -31 0.7116 0 489 433 10 Cosine 0.7116 -14.015 -14 0.8385 0 489 508 10 Cosine 0.8385 0.001 0 1.0 0 110 113 13 Cosine 1.0 0.0 0 1.0 0 110 115 13 Cosine 1.0 0.0 0 0.9531 0 110 116 13 Cosine 0.9531 0.0 0 0.9531 0 110 117 13 Cosine 0.9531 0.001 0 0.9531 0 110 119 13 Cosine 0.9531 -33.983 -33 0.7283 0 155 133 78 Cosine 0.7283 -0.0 0 0.8386 0 155 156 78 Cosine 0.8386 -18.011 -18 0.8771 0 39 59 85 Cosine 0.8771 -18.019 -18 0.8771 0 39 58 85 Cosine 0.8771 -0.0 0 1.0 0 42 45 40 Cosine 1.0 -0.0 0 1.0 0 42 43 40 Cosine 1.0 -0.001 0 0.9588 0 562 559 17 Cosine 0.9588 0.0 0 1.0 0 562 561 17 Cosine 1.0 0.0 0 0.9485 0 562 565 17 Cosine 0.9485 0.001 0 0.9604 0 562 558 17 Cosine 0.9604 0.001 0 1.0 0 562 564 17 Cosine 1.0 -0.0 0 1.0 0 562 560 17 Cosine 1.0 0.001 0 0.9485 0 562 568 17 Cosine 0.9485 0.0 0 0.9485 0 562 567 17 Cosine 0.9485 0.001 0 0.9485 0 562 566 17 Cosine 0.9485 -0.0 0 1.0 0 562 563 17 Cosine 1.0 -211.098 -211 0.8242 0 532 303 12 Cosine 0.8242 -18.012 -18 0.948 0 532 503 12 Cosine 0.948 -262.132 -262 0.7859 0 532 250 12 Cosine 0.7859 -18.012 -18 0.948 0 532 502 12 Cosine 0.948 -0.0 0 1.0 0 532 531 12 Cosine 1.0 -262.131 -262 0.7859 0 532 249 12 Cosine 0.7859 -18.011 -18 0.9463 0 532 501 12 Cosine 0.9463 -14.017 -14 0.9464 0 373 370 25 Cosine 0.9464 -14.017 -14 0.9632 0 373 369 25 Cosine 0.9632 -28.035 -28 0.8639 0 383 393 41 Cosine 0.8639 -42.051 -42 0.8642 0 383 407 41 Cosine 0.8642 -28.036 -28 0.807 0 383 391 41 Cosine 0.807 -28.037 -28 0.8268 0 383 392 41 Cosine 0.8268 -31.937 -31 0.7116 0 433 490 10 Cosine 0.7116 -18.011 -18 0.8367 0 73 53 42 Cosine 0.8367 -14.015 -14 0.8643 0 73 56 42 Cosine 0.8643 -14.016 -14 0.8456 0 73 57 42 Cosine 0.8456 -14.016 -14 0.9322 0 500 528 4 Cosine 0.9322 -0.002 0 1.0 0 500 499 4 Cosine 1.0 -14.015 -14 0.9322 0 500 527 4 Cosine 0.9322 0.001 0 0.957 0 500 493 4 Cosine 0.957 -11.996 -11 0.9504 0 500 517 4 Cosine 0.9504 -14.016 -14 0.9322 0 500 524 4 Cosine 0.9322 -14.016 -14 0.9322 0 500 525 4 Cosine 0.9322 -14.015 -14 0.9322 0 500 526 4 Cosine 0.9322 -28.028 -28 0.9504 0 500 549 4 Cosine 0.9504 -14.018 -14 0.9322 0 499 528 4 Cosine 0.9322 0.003 0 0.957 0 499 493 4 Cosine 0.957 -11.998 -11 0.9504 0 499 517 4 Cosine 0.9504 -14.019 -14 0.9322 0 499 524 4 Cosine 0.9322 -14.018 -14 0.9322 0 499 525 4 Cosine 0.9322 -14.018 -14 0.9322 0 499 526 4 Cosine 0.9322 -14.017 -14 0.9322 0 499 527 4 Cosine 0.9322 -28.03 -28 0.9504 0 499 549 4 Cosine 0.9504 -0.921 0 0.7942 0 427 424 4 Cosine 0.7942 -14.017 -14 0.855 0 427 453 4 Cosine 0.855 -14.016 -14 0.8483 0 427 454 4 Cosine 0.8483 0.008 0 1.0 0 59 58 85 Cosine 1.0 0.0 0 1.0 0 171 172 32 Cosine 1.0 -0.0 0 1.0 0 171 173 32 Cosine 1.0 0.0 0 1.0 0 171 174 32 Cosine 1.0 0.0 0 1.0 0 171 175 32 Cosine 1.0 -0.0 0 1.0 0 171 176 32 Cosine 1.0 0.0 0 1.0 0 171 177 32 Cosine 1.0 0.001 0 1.0 0 171 178 32 Cosine 1.0 0.001 0 1.0 0 171 179 32 Cosine 1.0 0.001 0 1.0 0 171 180 32 Cosine 1.0 0.0 0 1.0 0 171 181 32 Cosine 1.0 0.001 0 1.0 0 171 182 32 Cosine 1.0 -14.017 -14 0.9591 0 605 615 36 Cosine 0.9591 -14.014 -14 0.8888 0 605 594 36 Cosine 0.8888 -14.014 -14 0.8888 0 605 595 36 Cosine 0.8888 -28.031 -28 0.9462 0 367 347 48 Cosine 0.9462 -18.011 -18 0.9338 0 101 88 3 Cosine 0.9338 -14.015 -14 0.8622 0 101 125 3 Cosine 0.8622 -0.001 0 0.967 0 567 559 17 Cosine 0.967 0.0 0 0.9485 0 567 561 17 Cosine 0.9485 0.0 0 1.0 0 567 565 17 Cosine 1.0 -0.001 0 0.9485 0 567 564 17 Cosine 0.9485 -0.0 0 0.9485 0 567 560 17 Cosine 0.9485 0.001 0 1.0 0 567 568 17 Cosine 1.0 0.0 0 0.9485 0 567 563 17 Cosine 0.9485 -0.001 0 1.0 0 567 566 17 Cosine 1.0 -89.061 -89 0.9267 0 266 129 11 Cosine 0.9267 -11.987 -11 0.9121 0 266 279 11 Cosine 0.9121 -89.06 -89 0.9267 0 266 130 11 Cosine 0.9267 -15.997 -15 0.9305 0 266 285 11 Cosine 0.9305 -0.0 0 0.967 0 568 559 17 Cosine 0.967 0.001 0 0.9485 0 568 561 17 Cosine 0.9485 0.001 0 1.0 0 568 565 17 Cosine 1.0 0.0 0 0.9485 0 568 564 17 Cosine 0.9485 0.001 0 0.9485 0 568 560 17 Cosine 0.9485 0.001 0 0.9485 0 568 563 17 Cosine 0.9485 0.0 0 1.0 0 568 566 17 Cosine 1.0 -0.0 0 1.0 0 180 181 32 Cosine 1.0 0.001 0 1.0 0 180 175 32 Cosine 1.0 0.001 0 1.0 0 180 174 32 Cosine 1.0 -0.0 0 1.0 0 180 178 32 Cosine 1.0 -0.0 0 1.0 0 180 179 32 Cosine 1.0 0.0 0 1.0 0 180 182 32 Cosine 1.0 0.001 0 1.0 0 180 172 32 Cosine 1.0 0.001 0 1.0 0 180 173 32 Cosine 1.0 0.001 0 1.0 0 180 176 32 Cosine 1.0 0.0 0 1.0 0 180 177 32 Cosine 1.0 -14.016 -14 0.9603 0 85 93 45 Cosine 0.9603 -30.011 -30 0.8672 0 85 77 45 Cosine 0.8672 -88.075 -88 0.9278 0 85 7 45 Cosine 0.9278 -88.053 -88 0.9278 0 85 8 45 Cosine 0.9278 -44.027 -44 0.97 0 85 68 45 Cosine 0.97 -14.015 -14 0.9641 0 85 92 45 Cosine 0.9641 -58.042 -58 0.8422 0 85 131 45 Cosine 0.8422 0.0 0 0.9667 0 147 146 68 Cosine 0.9667 -58.989 -58 0.8734 0 222 301 11 Cosine 0.8734 -58.989 -58 0.8734 0 222 300 11 Cosine 0.8734 -32.026 -32 0.9069 0 222 277 11 Cosine 0.9069 -0.001 0 0.7781 0 504 506 21 Cosine 0.7781 -49.979 -49 0.8511 0 163 283 11 Cosine 0.8511 -14.02 -14 0.9348 0 570 582 4 Cosine 0.9348 -42.034 -42 0.9356 0 570 491 4 Cosine 0.9356 -12.024 -12 0.9345 0 570 547 4 Cosine 0.9345 -0.013 0 1.0 0 570 571 4 Cosine 1.0 -0.965 0 0.9586 0 570 573 4 Cosine 0.9586 -14.029 -14 0.9348 0 570 583 4 Cosine 0.9348 -14.029 -14 0.9348 0 570 584 4 Cosine 0.9348 -14.03 -14 0.9348 0 570 585 4 Cosine 0.9348 -47.985 -47 0.8202 0 305 352 48 Cosine 0.8202 0.001 0 1.0 0 408 409 23 Cosine 1.0 -11.998 -11 0.9372 0 408 399 23 Cosine 0.9372 -0.001 0 0.9035 0 66 63 3 Cosine 0.9035 -18.01 -18 0.8652 0 66 78 3 Cosine 0.8652 -0.0 0 0.8959 0 66 65 3 Cosine 0.8959 0.001 0 1.0 0 66 67 3 Cosine 1.0 -0.0 0 1.0 0 301 300 11 Cosine 1.0 0.0 0 0.9376 0 301 302 11 Cosine 0.9376 -14.018 -14 0.8489 0 426 453 4 Cosine 0.8489 -14.017 -14 0.8706 0 426 454 4 Cosine 0.8706 -15.995 -15 0.8347 0 426 459 4 Cosine 0.8347 -15.995 -15 0.8095 0 426 460 4 Cosine 0.8095 -14.016 -14 0.8689 0 385 391 41 Cosine 0.8689 -0.001 0 0.9714 0 32 31 65 Cosine 0.9714 -18.01 -18 0.899 0 32 54 65 Cosine 0.899 -0.001 0 0.9766 0 32 29 65 Cosine 0.9766 -0.0 0 0.94 0 32 30 65 Cosine 0.94 -0.025 0 0.9812 0 32 27 65 Cosine 0.9812 -0.002 0 0.9692 0 32 28 65 Cosine 0.9692 -1.11 -1 0.8166 0 32 38 65 Cosine 0.8166 -14.016 -14 0.8781 0 32 51 65 Cosine 0.8781 -18.01 -18 0.9002 0 32 55 65 Cosine 0.9002 -0.024 0 0.9736 0 31 27 65 Cosine 0.9736 -0.001 0 0.9768 0 31 28 65 Cosine 0.9768 -0.0 0 0.9773 0 31 29 65 Cosine 0.9773 0.001 0 0.9476 0 31 30 65 Cosine 0.9476 -1.111 -1 0.7779 0 31 38 65 Cosine 0.7779 -14.017 -14 0.8801 0 31 51 65 Cosine 0.8801 -18.011 -18 0.8978 0 31 54 65 Cosine 0.8978 -18.011 -18 0.8917 0 31 55 65 Cosine 0.8917 -28.031 -28 0.8723 0 430 481 23 Cosine 0.8723 -28.031 -28 0.9502 0 430 480 23 Cosine 0.9502 -14.016 -14 0.8825 0 430 458 23 Cosine 0.8825 -14.016 -14 0.948 0 430 457 23 Cosine 0.948 -0.0 0 0.8813 0 430 431 23 Cosine 0.8813 0.0 0 1.0 0 357 358 25 Cosine 1.0 -0.002 0 1.0 0 357 353 25 Cosine 1.0 -0.002 0 0.902 0 357 356 25 Cosine 0.902 -0.003 0 0.902 0 357 355 25 Cosine 0.902 -33.984 -33 0.9267 0 65 81 3 Cosine 0.9267 -0.001 0 0.9589 0 65 63 3 Cosine 0.9589 -18.01 -18 0.9122 0 65 78 3 Cosine 0.9122 0.001 0 0.8959 0 65 67 3 Cosine 0.8959 -45.058 -45 0.8987 0 65 84 3 Cosine 0.8987 -62.016 -62 0.9513 0 432 377 23 Cosine 0.9513 -33.984 -33 0.9473 0 432 386 23 Cosine 0.9473 -21.984 -21 0.9514 0 432 395 23 Cosine 0.9514 -20.005 -20 0.9456 0 432 397 23 Cosine 0.9456 -19.966 -19 0.9307 0 432 399 23 Cosine 0.9307 -5.952 -5 0.9648 0 432 417 23 Cosine 0.9648 -8.026 -8 0.9504 0 432 437 23 Cosine 0.9504 -8.064 -8 0.9459 0 432 440 23 Cosine 0.9459 -22.08 -22 0.9642 0 432 472 23 Cosine 0.9642 -18.009 -18 0.9306 0 288 267 11 Cosine 0.9306 -0.001 0 0.9588 0 560 559 17 Cosine 0.9588 -0.0 0 1.0 0 560 561 17 Cosine 1.0 -0.0 0 0.9485 0 560 565 17 Cosine 0.9485 0.001 0 0.9604 0 560 558 17 Cosine 0.9604 0.0 0 1.0 0 560 564 17 Cosine 1.0 -0.001 0 1.0 0 560 563 17 Cosine 1.0 0.0 0 0.9485 0 560 566 17 Cosine 0.9485 -1.979 -1 0.8776 0 236 238 11 Cosine 0.8776 -14.016 -14 0.8844 0 236 270 11 Cosine 0.8844 -0.001 0 0.9588 0 561 559 17 Cosine 0.9588 0.001 0 0.9604 0 561 558 17 Cosine 0.9604 -0.0 0 1.0 0 561 563 17 Cosine 1.0 0.001 0 1.0 0 561 564 17 Cosine 1.0 0.0 0 0.9485 0 561 565 17 Cosine 0.9485 0.001 0 0.9485 0 561 566 17 Cosine 0.9485 -0.0 0 0.9531 0 116 113 13 Cosine 0.9531 0.0 0 0.9531 0 116 115 13 Cosine 0.9531 -0.0 0 1.0 0 116 117 13 Cosine 1.0 0.0 0 1.0 0 116 119 13 Cosine 1.0 -193.087 -193 0.899 0 501 303 12 Cosine 0.899 0.001 0 0.9963 0 501 503 12 Cosine 0.9963 0.001 0 0.9963 0 501 502 12 Cosine 0.9963 -18.011 -18 0.9463 0 501 531 12 Cosine 0.9463 -461.227 -461 0.7624 0 501 13 12 Cosine 0.7624 -14.015 -14 0.9675 0 418 443 22 Cosine 0.9675 -14.016 -14 0.9587 0 418 402 22 Cosine 0.9587 -2.014 -2 0.7784 0 418 429 22 Cosine 0.7784 -0.01 0 1.0 0 585 582 4 Cosine 1.0 -12.037 -12 0.9478 0 585 577 4 Cosine 0.9478 -14.017 -14 0.9348 0 585 571 4 Cosine 0.9348 -0.001 0 1.0 0 585 583 4 Cosine 1.0 -26.017 -26 0.9276 0 585 549 4 Cosine 0.9276 -0.95 0 0.926 0 585 586 4 Cosine 0.926 -0.001 0 1.0 0 585 584 4 Cosine 1.0 -0.0 0 1.0 0 207 210 8 Cosine 1.0 -0.001 0 1.0 0 207 213 8 Cosine 1.0 -0.001 0 1.0 0 207 202 8 Cosine 1.0 -0.001 0 1.0 0 207 212 8 Cosine 1.0 -0.0 0 1.0 0 207 209 8 Cosine 1.0 -0.001 0 1.0 0 207 203 8 Cosine 1.0 0.0 0 1.0 0 207 204 8 Cosine 1.0 -0.0 0 1.0 0 207 205 8 Cosine 1.0 -0.0 0 1.0 0 207 206 8 Cosine 1.0 -0.0 0 1.0 0 207 208 8 Cosine 1.0 -0.001 0 1.0 0 207 211 8 Cosine 1.0 -0.0 0 1.0 0 196 197 47 Cosine 1.0 -0.001 0 1.0 0 196 199 47 Cosine 1.0 -0.001 0 0.9737 0 323 345 16 Cosine 0.9737 0.001 0 0.9978 0 323 328 16 Cosine 0.9978 -0.0 0 0.9737 0 323 343 16 Cosine 0.9737 -0.001 0 1.0 0 323 322 16 Cosine 1.0 0.0 0 0.9978 0 323 324 16 Cosine 0.9978 0.001 0 0.9978 0 323 325 16 Cosine 0.9978 0.0 0 0.9978 0 323 326 16 Cosine 0.9978 0.0 0 0.9978 0 323 327 16 Cosine 0.9978 -0.0 0 0.9737 0 323 340 16 Cosine 0.9737 0.0 0 0.9737 0 323 341 16 Cosine 0.9737 -0.001 0 0.9737 0 323 344 16 Cosine 0.9737 -45.058 -45 0.8633 0 84 63 3 Cosine 0.8633 -14.015 -14 0.9272 0 529 497 4 Cosine 0.9272 -14.015 -14 0.9272 0 529 498 4 Cosine 0.9272 -14.014 -14 0.9272 0 529 494 4 Cosine 0.9272 -18.01 -18 0.8629 0 140 135 72 Cosine 0.8629 -29.014 -29 0.8243 0 543 588 4 Cosine 0.8243 0.001 0 0.83 0 543 544 4 Cosine 0.83 -29.014 -29 0.8243 0 543 589 4 Cosine 0.8243 -32.027 -32 0.9339 0 130 96 11 Cosine 0.9339 -32.027 -32 0.9353 0 130 98 11 Cosine 0.9353 -0.001 0 1.0 0 130 129 11 Cosine 1.0 -87.031 -87 0.9265 0 130 256 11 Cosine 0.9265 -32.027 -32 0.9361 0 130 99 11 Cosine 0.9361 -15.0 -15 0.9451 0 130 105 11 Cosine 0.9451 -32.028 -32 0.9354 0 130 97 11 Cosine 0.9354 -14.018 -14 0.9828 0 130 106 11 Cosine 0.9828 -105.057 -105 0.9282 0 130 285 11 Cosine 0.9282 -84.021 -84 0.9198 0 128 240 61 Cosine 0.9198 -102.032 -102 0.9332 0 157 82 42 Cosine 0.9332 -101.047 -101 0.8251 0 157 83 42 Cosine 0.8251 -12.001 -12 0.7145 0 18 50 55 Cosine 0.7145 -14.015 -14 0.708 0 18 6 55 Cosine 0.708 -1.033 -1 0.9053 0 252 248 11 Cosine 0.9053 -14.016 -14 0.929 0 604 614 15 Cosine 0.929 -14.014 -14 0.9759 0 604 591 15 Cosine 0.9759 -14.015 -14 0.9393 0 604 592 15 Cosine 0.9393 -14.016 -14 0.9428 0 604 609 15 Cosine 0.9428 -14.022 -14 0.9855 0 604 610 15 Cosine 0.9855 -14.015 -14 0.9228 0 604 612 15 Cosine 0.9228 -14.016 -14 0.929 0 604 613 15 Cosine 0.929 -28.031 -28 0.9641 0 604 618 15 Cosine 0.9641 -99.068 -99 0.944 0 137 76 58 Cosine 0.944 -28.031 -28 0.9439 0 402 443 22 Cosine 0.9439 -16.03 -16 0.7734 0 402 429 22 Cosine 0.7734 0.0 0 1.0 0 177 181 32 Cosine 1.0 0.0 0 1.0 0 177 175 32 Cosine 1.0 0.0 0 1.0 0 177 174 32 Cosine 1.0 0.001 0 1.0 0 177 178 32 Cosine 1.0 0.001 0 1.0 0 177 179 32 Cosine 1.0 0.0 0 1.0 0 177 182 32 Cosine 1.0 0.0 0 1.0 0 177 172 32 Cosine 1.0 0.0 0 1.0 0 177 173 32 Cosine 1.0 0.0 0 1.0 0 177 176 32 Cosine 1.0 -15.995 -15 0.7886 0 443 476 22 Cosine 0.7886 -0.001 0 1.0 0 210 202 8 Cosine 1.0 -0.001 0 1.0 0 210 203 8 Cosine 1.0 -0.0 0 1.0 0 210 204 8 Cosine 1.0 -0.001 0 1.0 0 210 205 8 Cosine 1.0 -0.0 0 1.0 0 210 206 8 Cosine 1.0 0.0 0 1.0 0 210 208 8 Cosine 1.0 0.0 0 1.0 0 210 209 8 Cosine 1.0 -0.001 0 1.0 0 210 211 8 Cosine 1.0 -0.001 0 1.0 0 210 212 8 Cosine 1.0 -0.001 0 1.0 0 210 213 8 Cosine 1.0 -14.014 -14 0.8816 0 165 229 11 Cosine 0.8816 -14.016 -14 0.9661 0 165 228 11 Cosine 0.9661 -14.015 -14 0.9702 0 165 152 11 Cosine 0.9702 -2.016 -2 0.8741 0 165 162 11 Cosine 0.8741 -18.011 -18 0.9238 0 282 243 11 Cosine 0.9238 0.0 0 0.9172 0 282 281 11 Cosine 0.9172 -11.997 -11 0.9372 0 409 399 23 Cosine 0.9372 -0.0 0 0.9893 0 195 187 31 Cosine 0.9893 -0.001 0 0.9983 0 195 189 31 Cosine 0.9983 -0.0 0 0.9893 0 195 185 31 Cosine 0.9893 -39.009 -39 0.7116 0 71 14 12 Cosine 0.7116 -28.032 -28 0.9362 0 377 386 23 Cosine 0.9362 -40.031 -40 0.9447 0 377 395 23 Cosine 0.9447 -42.011 -42 0.9472 0 377 397 23 Cosine 0.9472 -42.05 -42 0.9339 0 377 399 23 Cosine 0.9339 -56.064 -56 0.9441 0 377 417 23 Cosine 0.9441 -70.042 -70 0.9403 0 377 437 23 Cosine 0.9403 -70.08 -70 0.9229 0 377 440 23 Cosine 0.9229 -84.095 -84 0.9485 0 377 472 23 Cosine 0.9485 0.0 0 1.0 0 538 537 35 Cosine 1.0 -0.003 0 1.0 0 538 539 35 Cosine 1.0 0.0 0 1.0 0 538 540 35 Cosine 1.0 -18.01 -18 0.9292 0 227 256 11 Cosine 0.9292 -18.028 -18 0.9172 0 227 258 11 Cosine 0.9172 -0.001 0 0.9454 0 612 614 15 Cosine 0.9454 -14.016 -14 0.9273 0 612 618 15 Cosine 0.9273 -14.016 -14 0.894 0 612 617 15 Cosine 0.894 -28.029 -28 0.9218 0 612 591 15 Cosine 0.9218 -28.031 -28 0.9153 0 612 592 15 Cosine 0.9153 0.007 0 0.9265 0 612 610 15 Cosine 0.9265 -0.001 0 0.9454 0 612 613 15 Cosine 0.9454 -42.048 -42 0.9227 0 440 386 23 Cosine 0.9227 -28.032 -28 0.9305 0 440 401 23 Cosine 0.9305 -14.018 -14 0.9481 0 440 471 23 Cosine 0.9481 -14.016 -14 0.95 0 440 472 23 Cosine 0.95 -33.985 -33 0.854 0 243 158 11 Cosine 0.854 -18.011 -18 0.91 0 243 281 11 Cosine 0.91 0.0 0 1.0 0 249 250 12 Cosine 1.0 -262.131 -262 0.7859 0 249 531 12 Cosine 0.7859 -803.422 -803 0.7829 0 235 622 34 Cosine 0.7829 -805.431 -805 0.8007 0 235 623 34 Cosine 0.8007 0.0 0 1.0 0 175 181 32 Cosine 1.0 0.0 0 1.0 0 175 172 32 Cosine 1.0 0.0 0 1.0 0 175 173 32 Cosine 1.0 0.0 0 1.0 0 175 174 32 Cosine 1.0 -0.0 0 1.0 0 175 176 32 Cosine 1.0 0.001 0 1.0 0 175 178 32 Cosine 1.0 0.001 0 1.0 0 175 179 32 Cosine 1.0 0.001 0 1.0 0 175 182 32 Cosine 1.0 0.0 0 0.9544 0 312 311 11 Cosine 0.9544 0.0 0 1.0 0 542 541 96 Cosine 1.0 0.0 0 1.0 0 498 497 4 Cosine 1.0 0.001 0 1.0 0 498 494 4 Cosine 1.0 -12.038 -12 0.9155 0 598 588 4 Cosine 0.9155 -12.038 -12 0.9155 0 598 589 4 Cosine 0.9155 -0.001 0 0.967 0 565 559 17 Cosine 0.967 0.0 0 0.9485 0 565 563 17 Cosine 0.9485 -0.001 0 0.9485 0 565 564 17 Cosine 0.9485 0.001 0 1.0 0 565 566 17 Cosine 1.0 0.001 0 0.8378 0 453 454 4 Cosine 0.8378 -14.017 -14 0.8756 0 453 425 4 Cosine 0.8756 -0.001 0 0.873 0 151 150 11 Cosine 0.873 -18.009 -18 0.9376 0 151 167 11 Cosine 0.9376 -126.042 -126 0.859 0 151 310 11 Cosine 0.859 -18.009 -18 0.8603 0 151 168 11 Cosine 0.8603 -115.062 -115 0.8507 0 151 309 11 Cosine 0.8507 -14.018 -14 0.8944 0 587 575 4 Cosine 0.8944 -42.013 -42 0.8947 0 587 521 4 Cosine 0.8947 -14.016 -14 0.8879 0 144 136 11 Cosine 0.8879 0.001 0 1.0 0 144 143 11 Cosine 1.0 0.0 0 0.8448 0 487 490 10 Cosine 0.8448 0.003 0 0.7979 0 487 488 10 Cosine 0.7979 -14.014 -14 0.8755 0 487 508 10 Cosine 0.8755 0.003 0 0.9395 0 400 399 23 Cosine 0.9395 -14.015 -14 0.9429 0 400 415 23 Cosine 0.9429 -26.016 -26 0.9712 0 308 299 76 Cosine 0.9712 -262.133 -262 0.7494 0 16 303 12 Cosine 0.7494 -14.017 -14 0.9395 0 11 33 7 Cosine 0.9395 -14.016 -14 0.9286 0 11 34 7 Cosine 0.9286 -14.016 -14 0.8906 0 11 36 7 Cosine 0.8906 -14.017 -14 0.9092 0 11 37 7 Cosine 0.9092 -18.011 -18 0.9172 0 78 63 3 Cosine 0.9172 -18.011 -18 0.8652 0 78 67 3 Cosine 0.8652 -33.984 -33 0.9426 0 78 89 3 Cosine 0.9426 -33.984 -33 0.9426 0 78 90 3 Cosine 0.9426 -0.491 0 0.8365 0 261 260 54 Cosine 0.8365 -0.002 0 1.0 0 261 263 54 Cosine 1.0 -43.988 -43 0.9277 0 382 359 25 Cosine 0.9277 -33.984 -33 0.9453 0 382 362 25 Cosine 0.9453 -33.985 -33 0.9453 0 382 363 25 Cosine 0.9453 -33.984 -33 0.9742 0 382 364 25 Cosine 0.9742 -33.983 -33 0.9803 0 382 365 25 Cosine 0.9803 -33.984 -33 0.9803 0 382 366 25 Cosine 0.9803 -27.995 -27 0.9264 0 382 369 25 Cosine 0.9264 -27.995 -27 0.9058 0 382 370 25 Cosine 0.9058 -2.009 -2 0.9765 0 623 622 34 Cosine 0.9765 0.001 0 1.0 0 497 494 4 Cosine 1.0 -14.015 -14 0.9077 0 295 277 11 Cosine 0.9077 -32.027 -32 0.9291 0 295 306 11 Cosine 0.9291 -14.037 -14 0.787 0 24 6 55 Cosine 0.787 0.001 0 0.7061 0 24 23 55 Cosine 0.7061 -70.042 -70 0.9298 0 100 153 11 Cosine 0.9298 -102.032 -102 0.897 0 100 233 11 Cosine 0.897 -14.016 -14 0.9322 0 100 105 11 Cosine 0.9322 -18.01 -18 0.8831 0 167 150 11 Cosine 0.8831 -14.016 -14 0.9157 0 167 228 11 Cosine 0.9157 -0.001 0 0.8836 0 167 168 11 Cosine 0.8836 -30.011 -30 0.8873 0 167 248 11 Cosine 0.8873 -44.026 -44 0.8573 0 167 276 11 Cosine 0.8573 -97.053 -97 0.8597 0 167 309 11 Cosine 0.8597 -108.033 -108 0.8698 0 167 310 11 Cosine 0.8698 -0.0 0 1.0 0 199 197 47 Cosine 1.0 -28.033 -28 0.7376 0 380 388 89 Cosine 0.7376 -28.064 -28 0.8527 0 224 273 11 Cosine 0.8527 -18.011 -18 0.9215 0 224 158 11 Cosine 0.9215 -0.001 0 1.0 0 224 225 11 Cosine 1.0 0.0 0 0.9415 0 523 528 4 Cosine 0.9415 0.0 0 0.9441 0 523 522 4 Cosine 0.9441 -0.001 0 0.9415 0 523 524 4 Cosine 0.9415 -0.0 0 0.9415 0 523 525 4 Cosine 0.9415 0.0 0 0.9415 0 523 526 4 Cosine 0.9415 0.001 0 0.9415 0 523 527 4 Cosine 0.9415 -14.016 -14 0.8841 0 483 459 4 Cosine 0.8841 -14.016 -14 0.9078 0 483 460 4 Cosine 0.9078 -102.091 -102 0.7648 0 7 93 45 Cosine 0.7648 -14.038 -14 0.9426 0 7 25 45 Cosine 0.9426 -58.064 -58 0.8266 0 7 77 45 Cosine 0.8266 -0.022 0 1.0 0 7 8 45 Cosine 1.0 -44.049 -44 0.9283 0 7 68 45 Cosine 0.9283 -14.017 -14 0.9507 0 7 21 45 Cosine 0.9507 -102.09 -102 0.737 0 7 92 45 Cosine 0.737 -14.017 -14 0.8879 0 143 136 11 Cosine 0.8879 -18.01 -18 0.9068 0 90 81 3 Cosine 0.9068 0.0 0 0.8504 0 90 88 3 Cosine 0.8504 0.0 0 1.0 0 90 89 3 Cosine 1.0 -0.567 0 0.9409 0 412 415 23 Cosine 0.9409 -0.984 0 0.8939 0 82 83 42 Cosine 0.8939 -821.435 -821 0.7751 0 272 625 57 Cosine 0.7751 -30.009 -30 0.8917 0 162 138 11 Cosine 0.8917 -46.022 -46 0.8547 0 162 275 11 Cosine 0.8547 -11.999 -11 0.8807 0 162 152 11 Cosine 0.8807 -0.0 0 0.9727 0 344 320 16 Cosine 0.9727 -0.0 0 1.0 0 344 345 16 Cosine 1.0 -0.001 0 1.0 0 344 343 16 Cosine 1.0 -0.002 0 0.9737 0 344 322 16 Cosine 0.9737 -0.002 0 0.9727 0 344 319 16 Cosine 0.9727 -0.001 0 1.0 0 344 340 16 Cosine 1.0 -0.001 0 1.0 0 344 341 16 Cosine 1.0 -28.035 -28 0.9307 0 519 578 4 Cosine 0.9307 0.001 0 0.9709 0 519 520 4 Cosine 0.9709 -16.034 -16 0.9672 0 519 491 4 Cosine 0.9672 -14.014 -14 0.9487 0 519 549 4 Cosine 0.9487 -2.017 -2 0.9492 0 401 395 23 Cosine 0.9492 -0.037 0 0.9373 0 401 397 23 Cosine 0.9373 -14.016 -14 0.9331 0 401 417 23 Cosine 0.9331 -15.995 -15 0.9285 0 283 257 11 Cosine 0.9285 -15.977 -15 0.9151 0 283 258 11 Cosine 0.9151 0.001 0 1.0 0 535 536 53 Cosine 1.0 -0.001 0 0.8054 0 452 451 2 Cosine 0.8054 -88.074 -88 0.964 0 21 93 45 Cosine 0.964 -0.021 0 0.9882 0 21 25 45 Cosine 0.9882 -44.047 -44 0.9718 0 21 77 45 Cosine 0.9718 -13.995 -13 0.9507 0 21 8 45 Cosine 0.9507 -30.032 -30 0.8095 0 21 68 45 Cosine 0.8095 -88.073 -88 0.9589 0 21 92 45 Cosine 0.9589 -132.1 -132 0.9159 0 21 131 45 Cosine 0.9159 -0.007 0 0.8784 0 522 521 4 Cosine 0.8784 -44.064 -44 0.954 0 472 395 23 Cosine 0.954 -42.085 -42 0.9494 0 472 397 23 Cosine 0.9494 -42.046 -42 0.9364 0 472 399 23 Cosine 0.9364 -56.064 -56 0.9532 0 472 386 23 Cosine 0.9532 -28.031 -28 0.9558 0 472 417 23 Cosine 0.9558 -14.053 -14 0.9572 0 472 437 23 Cosine 0.9572 0.003 0 0.9077 0 392 393 41 Cosine 0.9077 -14.014 -14 0.888 0 392 407 41 Cosine 0.888 -28.03 -28 0.9301 0 591 614 15 Cosine 0.9301 -42.045 -42 0.9696 0 591 618 15 Cosine 0.9696 -28.03 -28 0.8473 0 591 609 15 Cosine 0.8473 0.001 0 0.9559 0 591 592 15 Cosine 0.9559 -28.03 -28 0.9301 0 591 613 15 Cosine 0.9301 -28.036 -28 0.972 0 591 610 15 Cosine 0.972 -0.0 0 0.9035 0 67 63 3 Cosine 0.9035 -55.04 -55 0.851 0 145 267 11 Cosine 0.851 -15.994 -15 0.8824 0 145 158 11 Cosine 0.8824 -16.028 -16 0.9565 0 145 160 11 Cosine 0.9565 -59.034 -59 0.8524 0 145 271 11 Cosine 0.8524 -28.032 -28 0.9386 0 160 138 11 Cosine 0.9386 -14.016 -14 0.9356 0 160 150 11 Cosine 0.9356 -18.009 -18 0.9119 0 160 228 11 Cosine 0.9119 -47.999 -47 0.9238 0 160 275 11 Cosine 0.9238 -33.985 -33 0.9076 0 160 136 11 Cosine 0.9076 -42.047 -42 0.9377 0 160 270 11 Cosine 0.9377 -30.01 -30 0.9347 0 160 238 11 Cosine 0.9347 -18.011 -18 0.8643 0 88 81 3 Cosine 0.8643 -0.0 0 0.8504 0 88 89 3 Cosine 0.8504 -0.001 0 1.0 0 320 319 16 Cosine 1.0 0.001 0 0.9727 0 320 340 16 Cosine 0.9727 0.001 0 0.9727 0 320 341 16 Cosine 0.9727 0.001 0 0.9727 0 320 343 16 Cosine 0.9727 -0.0 0 0.9727 0 320 345 16 Cosine 0.9727 -14.017 -14 0.9239 0 289 273 11 Cosine 0.9239 -18.011 -18 0.8869 0 289 270 11 Cosine 0.8869 -0.0 0 1.0 0 331 329 33 Cosine 1.0 -0.001 0 1.0 0 331 330 33 Cosine 1.0 -42.082 -42 0.9151 0 270 158 11 Cosine 0.9151 -76.032 -76 0.8965 0 270 136 11 Cosine 0.8965 -12.038 -12 0.9102 0 270 238 11 Cosine 0.9102 -0.001 0 1.0 0 201 200 51 Cosine 1.0 -0.983 0 0.9595 0 75 76 58 Cosine 0.9595 -18.011 -18 0.8961 0 29 54 65 Cosine 0.8961 -0.024 0 0.9829 0 29 27 65 Cosine 0.9829 -0.0 0 0.9789 0 29 28 65 Cosine 0.9789 -0.001 0 0.9496 0 29 30 65 Cosine 0.9496 -1.111 -1 0.7857 0 29 38 65 Cosine 0.7857 -14.017 -14 0.8868 0 29 51 65 Cosine 0.8868 -18.012 -18 0.8885 0 29 55 65 Cosine 0.8885 -14.019 -14 0.7978 0 589 575 4 Cosine 0.7978 -42.014 -42 0.8529 0 589 521 4 Cosine 0.8529 0.0 0 1.0 0 589 588 4 Cosine 1.0 -29.015 -29 0.8027 0 589 544 4 Cosine 0.8027 -28.027 -28 0.8182 0 473 521 4 Cosine 0.8182 -42.05 -42 0.7964 0 473 552 4 Cosine 0.7964 -14.022 -14 0.8511 0 521 552 4 Cosine 0.8511 -42.014 -42 0.8529 0 521 588 4 Cosine 0.8529 -14.016 -14 0.9231 0 609 617 15 Cosine 0.9231 -28.031 -28 0.8541 0 609 592 15 Cosine 0.8541 -28.033 -28 0.9241 0 525 578 4 Cosine 0.9241 0.0 0 1.0 0 525 528 4 Cosine 1.0 0.001 0 1.0 0 525 527 4 Cosine 1.0 0.0 0 1.0 0 525 524 4 Cosine 1.0 0.001 0 1.0 0 525 526 4 Cosine 1.0 0.0 0 1.0 0 173 181 32 Cosine 1.0 0.0 0 1.0 0 173 174 32 Cosine 1.0 0.001 0 1.0 0 173 178 32 Cosine 1.0 0.001 0 1.0 0 173 179 32 Cosine 1.0 0.001 0 1.0 0 173 182 32 Cosine 1.0 -0.0 0 1.0 0 173 172 32 Cosine 1.0 0.0 0 1.0 0 173 176 32 Cosine 1.0 -14.016 -14 0.9836 0 594 579 36 Cosine 0.9836 -0.0 0 1.0 0 594 595 36 Cosine 1.0 -14.016 -14 0.9413 0 594 607 36 Cosine 0.9413 -16.031 -16 0.8505 0 594 608 36 Cosine 0.8505 0.0 0 1.0 0 182 181 32 Cosine 1.0 0.001 0 1.0 0 182 174 32 Cosine 1.0 -0.0 0 1.0 0 182 178 32 Cosine 1.0 -0.0 0 1.0 0 182 179 32 Cosine 1.0 0.001 0 1.0 0 182 172 32 Cosine 1.0 0.001 0 1.0 0 182 176 32 Cosine 1.0 -28.032 -28 0.9196 0 273 228 11 Cosine 0.9196 -28.064 -28 0.8527 0 273 225 11 Cosine 0.8527 -0.002 0 0.9727 0 345 319 16 Cosine 0.9727 -0.002 0 0.9737 0 345 322 16 Cosine 0.9737 -0.001 0 1.0 0 345 340 16 Cosine 1.0 -0.002 0 1.0 0 345 341 16 Cosine 1.0 -0.001 0 1.0 0 345 343 16 Cosine 1.0 -262.131 -262 0.7859 0 250 531 12 Cosine 0.7859 -0.0 0 1.0 0 374 375 84 Cosine 1.0 0.0 0 1.0 0 374 376 84 Cosine 1.0 -44.027 -44 0.9366 0 131 93 45 Cosine 0.9366 -132.079 -132 0.9149 0 131 25 45 Cosine 0.9149 -88.053 -88 0.938 0 131 77 45 Cosine 0.938 -44.027 -44 0.9415 0 131 92 45 Cosine 0.9415 -33.984 -33 0.9612 0 62 81 3 Cosine 0.9612 0.001 0 0.9722 0 62 64 3 Cosine 0.9722 -48.0 -48 0.954 0 62 86 3 Cosine 0.954 -46.023 -46 0.9387 0 258 153 11 Cosine 0.9387 -13.998 -13 0.9523 0 258 279 11 Cosine 0.9523 -0.018 0 0.957 0 258 256 11 Cosine 0.957 -102.049 -102 0.9328 0 258 105 11 Cosine 0.9328 -18.009 -18 0.9482 0 258 285 11 Cosine 0.9482 -0.017 0 0.9561 0 258 257 11 Cosine 0.9561 0.0 0 1.0 0 329 330 33 Cosine 1.0 -64.032 -64 0.9597 0 285 153 11 Cosine 0.9597 -105.058 -105 0.9282 0 285 129 11 Cosine 0.9282 -4.011 -4 0.9628 0 285 279 11 Cosine 0.9628 -18.026 -18 0.9603 0 285 256 11 Cosine 0.9603 -120.058 -120 0.946 0 285 105 11 Cosine 0.946 -119.075 -119 0.9411 0 285 106 11 Cosine 0.9411 -18.026 -18 0.9462 0 285 257 11 Cosine 0.9462 -0.009 0 1.0 0 583 582 4 Cosine 1.0 -12.036 -12 0.9478 0 583 577 4 Cosine 0.9478 -14.016 -14 0.9348 0 583 571 4 Cosine 0.9348 -26.016 -26 0.9276 0 583 549 4 Cosine 0.9276 -0.0 0 1.0 0 583 584 4 Cosine 1.0 -0.951 0 0.926 0 583 586 4 Cosine 0.926 -28.029 -28 0.8672 0 229 152 11 Cosine 0.8672 -15.997 -15 0.849 0 229 248 11 Cosine 0.849 -16.983 -16 0.8692 0 229 251 11 Cosine 0.8692 -30.012 -30 0.8602 0 229 276 11 Cosine 0.8602 -14.015 -14 0.9429 0 12 41 19 Cosine 0.9429 -44.026 -44 0.9052 0 12 72 19 Cosine 0.9052 -14.017 -14 0.8813 0 482 460 4 Cosine 0.8813 -14.017 -14 0.8475 0 482 459 4 Cosine 0.8475 -0.002 0 0.9588 0 563 559 17 Cosine 0.9588 0.0 0 0.9604 0 563 558 17 Cosine 0.9604 0.001 0 1.0 0 563 564 17 Cosine 1.0 0.001 0 0.9485 0 563 566 17 Cosine 0.9485 0.0 0 0.84 0 510 509 18 Cosine 0.84 -28.031 -28 0.7572 0 510 554 18 Cosine 0.7572 -28.032 -28 0.7572 0 510 555 18 Cosine 0.7572 -0.002 0 0.902 0 355 358 25 Cosine 0.902 -0.004 0 0.9704 0 355 359 25 Cosine 0.9704 0.0 0 0.902 0 355 353 25 Cosine 0.902 -0.001 0 1.0 0 355 356 25 Cosine 1.0 -15.996 -15 0.9678 0 355 370 25 Cosine 0.9678 -15.997 -15 0.9676 0 355 369 25 Cosine 0.9676 -28.036 -28 0.948 0 601 573 4 Cosine 0.948 -14.022 -14 0.9556 0 601 586 4 Cosine 0.9556 -0.001 0 1.0 0 338 336 9 Cosine 1.0 -0.001 0 1.0 0 338 334 9 Cosine 1.0 -0.001 0 1.0 0 338 335 9 Cosine 1.0 0.001 0 1.0 0 338 339 9 Cosine 1.0 -0.984 0 0.8704 0 14 13 12 Cosine 0.8704 -0.003 0 0.9704 0 359 356 25 Cosine 0.9704 -10.004 -10 0.9192 0 359 364 25 Cosine 0.9192 -15.993 -15 0.9754 0 359 369 25 Cosine 0.9754 -15.993 -15 0.9692 0 359 370 25 Cosine 0.9692 -0.0 0 1.0 0 335 336 9 Cosine 1.0 0.0 0 1.0 0 335 334 9 Cosine 1.0 -0.0 0 1.0 0 335 339 9 Cosine 1.0 -60.021 -60 0.9347 0 279 153 11 Cosine 0.9347 -116.047 -116 0.9389 0 279 105 11 Cosine 0.9389 -14.016 -14 0.9608 0 279 256 11 Cosine 0.9608 -14.015 -14 0.9441 0 279 257 11 Cosine 0.9441 -0.983 0 0.9128 0 279 277 11 Cosine 0.9128 -45.059 -45 0.9494 0 279 306 11 Cosine 0.9494 -18.011 -18 0.8328 0 36 10 7 Cosine 0.8328 0.001 0 0.9115 0 36 33 7 Cosine 0.9115 0.0 0 0.916 0 36 34 7 Cosine 0.916 -0.001 0 0.945 0 36 37 7 Cosine 0.945 -30.01 -30 0.8296 0 72 41 19 Cosine 0.8296 -28.031 -28 0.9285 0 534 581 17 Cosine 0.9285 -14.017 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0.943 0 276 248 11 Cosine 0.943 -1.135 -1 0.7851 0 27 38 65 Cosine 0.7851 -18.036 -18 0.8838 0 27 55 65 Cosine 0.8838 0.001 0 1.0 0 327 328 16 Cosine 1.0 -0.001 0 1.0 0 327 325 16 Cosine 1.0 -14.016 -14 0.9568 0 557 533 17 Cosine 0.9568 0.001 0 0.9417 0 557 556 17 Cosine 0.9417 -12.037 -12 0.9345 0 571 547 4 Cosine 0.9345 -14.016 -14 0.9348 0 571 584 4 Cosine 0.9348 0.0 0 0.9492 0 366 362 25 Cosine 0.9492 -0.001 0 0.9492 0 366 363 25 Cosine 0.9492 0.002 0 1.0 0 366 365 25 Cosine 1.0 -5.99 -5 0.9234 0 366 369 25 Cosine 0.9234 -0.003 0 0.7899 0 490 488 10 Cosine 0.7899 -14.014 -14 0.8385 0 490 508 10 Cosine 0.8385 -0.002 0 1.0 0 358 353 25 Cosine 1.0 -0.002 0 0.902 0 358 356 25 Cosine 0.902 -14.015 -14 0.9659 0 398 414 23 Cosine 0.9659 -0.0 0 1.0 0 208 204 8 Cosine 1.0 -0.001 0 1.0 0 208 205 8 Cosine 1.0 -0.001 0 1.0 0 208 211 8 Cosine 1.0 -0.0 0 1.0 0 179 178 32 Cosine 1.0 0.001 0 1.0 0 179 172 32 Cosine 1.0 -14.018 -14 0.8117 0 451 475 2 Cosine 0.8117 -18.01 -18 0.9236 0 150 168 11 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Cosine 0.9265 -14.015 -14 0.9645 0 520 549 4 Cosine 0.9645 -14.015 -14 0.9313 0 556 581 17 Cosine 0.9313 -14.017 -14 0.9513 0 556 533 17 Cosine 0.9513 0.001 0 1.0 0 526 524 4 Cosine 1.0 0.0 0 0.9802 0 597 596 36 Cosine 0.9802 -14.017 -14 0.9871 0 597 608 36 Cosine 0.9871 -26.967 -26 0.9453 0 586 549 4 Cosine 0.9453 -0.951 0 0.926 0 586 584 4 Cosine 0.926 -0.001 0 1.0 0 204 211 8 Cosine 1.0 -30.01 -30 0.9207 0 248 168 11 Cosine 0.9207 0.001 0 1.0 0 363 362 25 Cosine 1.0 0.0 0 1.0 0 340 343 16 Cosine 1.0 -0.0 0 0.902 0 353 356 25 Cosine 0.902 0.001 0 1.0 0 178 172 32 Cosine 1.0 0.001 0 0.9897 0 187 189 31 Cosine 0.9897 -14.016 -14 0.8608 0 152 168 11 Cosine 0.8608 0.0 0 1.0 0 328 325 16 Cosine 1.0 -14.016 -14 0.9372 0 87 81 3 Cosine 0.9372 -16.031 -16 0.8505 0 608 595 36 Cosine 0.8505 -14.017 -14 0.9792 0 608 596 36 Cosine 0.9792 -14.016 -14 0.9785 0 393 407 41 Cosine 0.9785 -14.016 -14 0.8896 0 475 450 2 Cosine 0.8896 -28.032 -28 0.9263 0 581 533 17 Cosine 0.9263 -18.011 -18 0.9068 0 89 81 3 Cosine 0.9068 -15.996 -15 0.9676 0 356 369 25 Cosine 0.9676 0.002 0 0.8823 0 318 316 14 Cosine 0.8823 -26.016 -26 0.9276 0 584 549 4 Cosine 0.9276 nf_output/networking/merged_pairs.tsv0000644000000000000000000111711014677277142017210 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 1 10 -14.016 0.000 0.9260 0.8447 1 1 11 -18.010 0.000 0.8747 0.8072 1 1 26 -28.032 0.000 0.7686 0.6749 1 1 33 -32.027 0.000 0.8210 0.7506 1 1 34 -32.027 0.000 0.7883 0.7243 1 1 36 -32.026 0.000 0.7892 0.6970 1 1 37 -32.027 0.000 0.7901 0.7328 1 1 127 -147.069 0.000 0.7851 0.7168 1 3 4 -0.001 0.000 1.0000 1.0000 1 6 18 -14.015 0.000 0.7080 0.4088 1 6 24 -14.037 0.000 0.7870 0.6327 1 7 8 -0.022 0.000 1.0000 1.0000 1 7 20 -14.018 0.000 0.9507 0.8180 1 7 21 -14.017 0.000 0.9507 0.8180 1 7 22 -14.017 0.000 0.9512 0.7914 1 7 24 -14.038 0.000 0.7196 0.5476 1 7 25 -14.038 0.000 0.9426 0.7399 1 7 68 -44.049 0.000 0.9283 0.7199 1 7 77 -58.064 0.000 0.8266 0.7303 1 7 85 -88.075 0.000 0.9278 0.7663 1 7 92 -102.090 0.000 0.7370 0.6280 1 7 93 -102.091 0.000 0.7648 0.6596 1 7 131 -146.118 0.000 0.7023 0.5381 1 8 20 -13.996 0.000 0.9507 0.8180 1 8 21 -13.995 0.000 0.9507 0.8180 1 8 22 -13.995 0.000 0.9512 0.7914 1 8 24 -14.015 0.000 0.7196 0.5476 1 8 25 -14.016 0.000 0.9440 0.7441 1 8 68 -44.026 0.000 0.9283 0.7199 1 8 77 -58.042 0.000 0.8224 0.7137 1 8 85 -88.053 0.000 0.9278 0.7663 1 8 92 -102.068 0.000 0.7370 0.6280 1 8 93 -102.068 0.000 0.7648 0.6596 1 8 131 -146.095 0.000 0.7023 0.5381 1 9 134 -147.070 0.000 0.7399 0.5494 1 10 11 -3.995 0.000 0.7293 0.6340 1 10 26 -14.016 0.000 0.8725 0.7566 1 10 33 -18.012 0.000 0.8440 0.7716 1 10 34 -18.011 0.000 0.8497 0.7420 1 10 35 -18.010 0.000 0.7265 0.6318 1 10 36 -18.011 0.000 0.8328 0.7318 1 10 37 -18.011 0.000 0.8542 0.7782 1 10 62 -42.010 0.000 0.7411 0.5996 1 10 63 -42.010 0.000 0.7281 0.5073 1 10 64 -42.009 0.000 0.7608 0.6834 1 10 65 -42.010 0.000 0.7901 0.7165 1 10 66 -42.011 0.000 0.7115 0.4523 1 10 67 -42.010 0.000 0.7115 0.4523 1 10 81 -75.994 0.000 0.7105 0.6171 1 10 102 -113.084 0.000 0.7269 0.6311 1 10 135 -147.069 0.000 0.7738 0.6482 1 11 33 -14.017 0.000 0.9395 0.9054 1 11 34 -14.016 0.000 0.9286 0.8887 1 11 36 -14.016 0.000 0.8906 0.8034 1 11 37 -14.017 0.000 0.9092 0.8761 1 12 41 -14.015 0.000 0.9429 0.8599 1 12 72 -44.026 0.000 0.9052 0.8411 1 13 14 -0.984 0.000 0.8704 0.8720 1 13 303 -268.141 0.000 0.8264 0.5673 1 13 501 -461.227 0.000 0.7624 0.6582 1 13 502 -461.226 0.000 0.7561 0.6546 1 13 503 -461.226 0.000 0.7561 0.6546 1 14 71 -39.009 0.000 0.7116 0.5120 1 15 16 0.002 0.000 0.9687 0.7550 1 15 249 -211.097 0.000 0.7337 0.5154 1 15 250 -211.097 0.000 0.7337 0.5154 1 15 303 -262.131 0.000 0.8081 0.5266 1 16 303 -262.133 0.000 0.7494 0.3461 1 18 19 -0.001 0.000 0.7506 0.3030 1 18 50 -12.001 0.000 0.7145 0.2951 1 18 80 -54.011 0.000 0.8587 0.7675 1 20 21 0.001 0.000 1.0000 1.0000 1 20 22 0.001 0.000 0.9915 0.9074 1 20 24 -0.020 0.000 0.7215 0.6138 1 20 25 -0.020 0.000 0.9882 0.8765 1 20 68 -30.031 0.000 0.8095 0.7110 1 20 77 -44.046 0.000 0.9718 0.8340 1 20 85 -74.057 0.000 0.7935 0.7275 1 20 92 -88.073 0.000 0.9589 0.8396 1 20 93 -88.073 0.000 0.9640 0.8078 1 20 131 -132.100 0.000 0.9159 0.8383 1 21 22 -0.000 0.000 0.9915 0.9074 1 21 24 -0.021 0.000 0.7215 0.6138 1 21 25 -0.021 0.000 0.9882 0.8765 1 21 68 -30.032 0.000 0.8095 0.7110 1 21 77 -44.047 0.000 0.9718 0.8340 1 21 85 -74.058 0.000 0.7935 0.7275 1 21 92 -88.073 0.000 0.9589 0.8396 1 21 93 -88.074 0.000 0.9640 0.8078 1 21 131 -132.100 0.000 0.9159 0.8383 1 22 24 -0.020 0.000 0.7165 0.6612 1 22 25 -0.021 0.000 0.9909 0.9433 1 22 68 -30.031 0.000 0.8109 0.7110 1 22 77 -44.047 0.000 0.9766 0.9061 1 22 85 -74.058 0.000 0.7916 0.7128 1 22 92 -88.073 0.000 0.9676 0.9228 1 22 93 -88.073 0.000 0.9635 0.8701 1 22 131 -132.100 0.000 0.9182 0.8177 1 23 24 0.001 0.000 0.7061 0.3826 1 25 68 -30.010 0.000 0.8132 0.7110 1 25 77 -44.026 0.000 0.9798 0.9332 1 25 85 -74.037 0.000 0.7909 0.6940 1 25 92 -88.052 0.000 0.9642 0.9161 1 25 93 -88.053 0.000 0.9634 0.8859 1 25 131 -132.079 0.000 0.9149 0.7947 1 26 87 -75.994 0.000 0.7318 0.5463 1 27 28 -0.023 0.000 0.9744 0.8229 1 27 29 -0.024 0.000 0.9829 0.8663 1 27 30 -0.025 0.000 0.9425 0.7442 1 27 31 -0.024 0.000 0.9736 0.7997 1 27 32 -0.025 0.000 0.9812 0.8418 1 27 38 -1.135 0.000 0.7851 0.5608 1 27 51 -14.041 0.000 0.8895 0.7593 1 27 54 -18.035 0.000 0.8926 0.7186 1 27 55 -18.036 0.000 0.8838 0.7420 1 27 99 -89.072 0.000 0.7077 0.5267 1 27 106 -107.082 0.000 0.7149 0.5583 1 27 129 -121.099 0.000 0.7353 0.5865 1 27 130 -121.099 0.000 0.7353 0.5865 1 27 138 -144.079 0.000 0.7231 0.5431 1 27 152 -162.089 0.000 0.7385 0.5461 1 27 160 -172.111 0.000 0.7111 0.4868 1 27 165 -176.104 0.000 0.7086 0.4874 1 27 166 -176.104 0.000 0.7086 0.4874 1 27 167 -176.104 0.000 0.7034 0.5006 1 27 168 -176.105 0.000 0.7706 0.5618 1 27 228 -190.120 0.000 0.7125 0.4626 1 27 248 -206.115 0.000 0.7290 0.4651 1 27 275 -220.110 0.000 0.7212 0.5235 1 28 29 -0.000 0.000 0.9789 0.8229 1 28 30 -0.001 0.000 0.9469 0.7529 1 28 31 -0.001 0.000 0.9768 0.7938 1 28 32 -0.002 0.000 0.9692 0.8015 1 28 38 -1.111 0.000 0.7801 0.5592 1 28 51 -14.018 0.000 0.8830 0.7476 1 28 54 -18.012 0.000 0.8974 0.7085 1 28 55 -18.012 0.000 0.8885 0.7226 1 28 99 -89.048 0.000 0.7014 0.4956 1 28 106 -107.058 0.000 0.7146 0.5297 1 28 129 -121.075 0.000 0.7377 0.5687 1 28 130 -121.076 0.000 0.7377 0.5687 1 28 152 -162.065 0.000 0.7203 0.5312 1 28 160 -172.087 0.000 0.7047 0.4626 1 28 165 -176.081 0.000 0.7039 0.4891 1 28 166 -176.081 0.000 0.7039 0.4891 1 28 168 -176.081 0.000 0.7616 0.5482 1 28 228 -190.096 0.000 0.7064 0.4536 1 28 248 -206.091 0.000 0.7246 0.4559 1 28 252 -207.124 0.000 0.7038 0.4505 1 28 275 -220.086 0.000 0.7131 0.4971 1 29 30 -0.001 0.000 0.9496 0.7614 1 29 31 -0.000 0.000 0.9773 0.8028 1 29 32 -0.001 0.000 0.9766 0.8330 1 29 38 -1.111 0.000 0.7857 0.5712 1 29 51 -14.017 0.000 0.8868 0.7476 1 29 54 -18.011 0.000 0.8961 0.7294 1 29 55 -18.012 0.000 0.8885 0.7538 1 29 99 -89.048 0.000 0.7053 0.5253 1 29 106 -107.058 0.000 0.7140 0.5513 1 29 129 -121.075 0.000 0.7359 0.5865 1 29 130 -121.075 0.000 0.7359 0.5865 1 29 138 -144.055 0.000 0.7038 0.5292 1 29 152 -162.065 0.000 0.7257 0.5461 1 29 160 -172.087 0.000 0.7082 0.4821 1 29 165 -176.080 0.000 0.7062 0.4874 1 29 166 -176.080 0.000 0.7062 0.4874 1 29 168 -176.081 0.000 0.7666 0.5488 1 29 228 -190.096 0.000 0.7064 0.4522 1 29 248 -206.091 0.000 0.7289 0.4687 1 29 252 -207.123 0.000 0.7039 0.4579 1 29 275 -220.086 0.000 0.7193 0.5152 1 30 31 0.001 0.000 0.9476 0.7991 1 30 32 -0.000 0.000 0.9400 0.8154 1 30 38 -1.110 0.000 0.7532 0.5617 1 30 51 -14.016 0.000 0.8554 0.6719 1 30 54 -18.010 0.000 0.8831 0.6804 1 30 55 -18.011 0.000 0.8751 0.7248 1 30 96 -89.047 0.000 0.7030 0.5066 1 30 97 -89.046 0.000 0.7129 0.5612 1 30 98 -89.047 0.000 0.7094 0.5453 1 30 99 -89.047 0.000 0.7195 0.5136 1 30 105 -106.074 0.000 0.7119 0.5263 1 30 106 -107.057 0.000 0.7366 0.5640 1 30 129 -121.074 0.000 0.7440 0.5673 1 30 130 -121.074 0.000 0.7440 0.5673 1 30 138 -144.054 0.000 0.7108 0.4415 1 30 150 -158.069 0.000 0.7091 0.4519 1 30 151 -158.071 0.000 0.7085 0.4840 1 30 152 -162.064 0.000 0.7459 0.5002 1 30 160 -172.086 0.000 0.7364 0.4696 1 30 165 -176.079 0.000 0.7163 0.4341 1 30 166 -176.080 0.000 0.7163 0.4341 1 30 167 -176.079 0.000 0.7252 0.4636 1 30 168 -176.080 0.000 0.7683 0.4684 1 30 228 -190.095 0.000 0.7347 0.4410 1 30 248 -206.090 0.000 0.7351 0.4118 1 30 252 -207.122 0.000 0.7094 0.4214 1 30 275 -220.085 0.000 0.7261 0.4545 1 30 276 -220.106 0.000 0.7087 0.4805 1 31 32 -0.001 0.000 0.9714 0.8797 1 31 38 -1.111 0.000 0.7779 0.6348 1 31 51 -14.017 0.000 0.8801 0.7216 1 31 54 -18.011 0.000 0.8978 0.6836 1 31 55 -18.011 0.000 0.8917 0.7226 1 31 106 -107.057 0.000 0.7151 0.5047 1 31 129 -121.074 0.000 0.7384 0.5436 1 31 130 -121.075 0.000 0.7384 0.5436 1 31 152 -162.065 0.000 0.7386 0.5348 1 31 160 -172.086 0.000 0.7210 0.4798 1 31 165 -176.080 0.000 0.7264 0.4979 1 31 166 -176.080 0.000 0.7264 0.4979 1 31 167 -176.080 0.000 0.7144 0.4957 1 31 168 -176.080 0.000 0.7582 0.5036 1 31 228 -190.096 0.000 0.7381 0.4836 1 31 248 -206.090 0.000 0.7283 0.4348 1 31 252 -207.123 0.000 0.7263 0.4617 1 31 275 -220.086 0.000 0.7150 0.4692 1 32 38 -1.110 0.000 0.8166 0.6474 1 32 51 -14.016 0.000 0.8781 0.7508 1 32 54 -18.010 0.000 0.8990 0.7124 1 32 55 -18.010 0.000 0.9002 0.7621 1 32 96 -89.047 0.000 0.7060 0.4917 1 32 97 -89.046 0.000 0.7152 0.5385 1 32 98 -89.047 0.000 0.7045 0.5091 1 32 99 -89.047 0.000 0.7228 0.4999 1 32 105 -106.074 0.000 0.7022 0.4981 1 32 106 -107.057 0.000 0.7250 0.5376 1 32 129 -121.074 0.000 0.7482 0.5807 1 32 130 -121.074 0.000 0.7482 0.5807 1 32 138 -144.054 0.000 0.7334 0.5092 1 32 151 -158.070 0.000 0.7052 0.5175 1 32 152 -162.064 0.000 0.7518 0.5461 1 32 160 -172.085 0.000 0.7236 0.4769 1 32 165 -176.079 0.000 0.7171 0.4682 1 32 166 -176.079 0.000 0.7171 0.4682 1 32 167 -176.079 0.000 0.7144 0.4821 1 32 168 -176.080 0.000 0.7743 0.5352 1 32 228 -190.095 0.000 0.7161 0.4373 1 32 248 -206.090 0.000 0.7336 0.4449 1 32 252 -207.122 0.000 0.7079 0.4417 1 32 275 -220.085 0.000 0.7285 0.4909 1 33 34 0.001 0.000 0.9726 0.9253 1 33 36 0.001 0.000 0.9115 0.8064 1 33 37 0.000 0.000 0.9520 0.9153 1 33 74 -32.025 0.000 0.7132 0.5879 1 33 78 -42.009 0.000 0.8080 0.5505 1 33 89 -75.994 0.000 0.8125 0.6949 1 33 90 -75.993 0.000 0.8125 0.6949 1 33 140 -147.068 0.000 0.7810 0.7205 1 33 141 -147.067 0.000 0.7291 0.6547 1 33 149 -155.093 0.000 0.7205 0.6239 1 33 161 -173.049 0.000 0.7169 0.6213 1 33 227 -189.078 0.000 0.7048 0.6162 1 33 228 -189.078 0.000 0.7103 0.6421 1 34 35 0.001 0.000 0.7089 0.6585 1 34 36 0.000 0.000 0.9160 0.7985 1 34 37 -0.000 0.000 0.9567 0.9047 1 34 78 -42.010 0.000 0.7784 0.5574 1 34 89 -75.994 0.000 0.7960 0.7195 1 34 90 -75.994 0.000 0.7960 0.7195 1 34 140 -147.069 0.000 0.7974 0.7107 1 34 141 -147.068 0.000 0.7600 0.6683 1 34 149 -155.094 0.000 0.7093 0.6167 1 35 37 -0.001 0.000 0.7027 0.6350 1 35 53 -14.016 0.000 0.8750 0.6319 1 35 56 -18.012 0.000 0.7499 0.5654 1 35 57 -18.011 0.000 0.7865 0.5912 1 35 73 -32.027 0.000 0.7944 0.5055 1 35 74 -32.026 0.000 0.7832 0.7375 1 35 78 -42.010 0.000 0.7076 0.4939 1 35 139 -147.068 0.000 0.8166 0.6417 1 35 141 -147.068 0.000 0.7117 0.6211 1 36 37 -0.001 0.000 0.9450 0.8421 1 36 74 -32.026 0.000 0.7467 0.5965 1 36 78 -42.010 0.000 0.7814 0.4997 1 36 89 -75.995 0.000 0.7910 0.6504 1 36 90 -75.994 0.000 0.7910 0.6504 1 36 140 -147.069 0.000 0.7780 0.6914 1 36 141 -147.068 0.000 0.7247 0.6548 1 36 149 -155.094 0.000 0.7073 0.6210 1 36 161 -173.050 0.000 0.7302 0.6688 1 36 227 -189.079 0.000 0.7224 0.5849 1 36 228 -189.079 0.000 0.7670 0.7235 1 37 74 -32.025 0.000 0.7433 0.6283 1 37 78 -42.009 0.000 0.7912 0.5446 1 37 89 -75.994 0.000 0.8009 0.7076 1 37 90 -75.993 0.000 0.8009 0.7076 1 37 140 -147.068 0.000 0.7845 0.7344 1 37 141 -147.067 0.000 0.7406 0.6809 1 37 149 -155.093 0.000 0.7293 0.6320 1 37 161 -173.049 0.000 0.7393 0.6618 1 37 227 -189.078 0.000 0.7328 0.6520 1 37 228 -189.078 0.000 0.7560 0.6925 1 38 54 -16.900 0.000 0.7030 0.4508 1 38 55 -16.901 0.000 0.7277 0.5051 1 39 40 -0.000 0.000 0.9987 1.0000 1 39 58 -18.019 0.000 0.8771 0.7431 1 39 59 -18.011 0.000 0.8771 0.7431 1 40 58 -18.019 0.000 0.8661 0.7431 1 40 59 -18.011 0.000 0.8661 0.7431 1 41 72 -30.010 0.000 0.8296 0.7246 1 42 43 -0.000 0.000 1.0000 1.0000 1 42 44 -0.000 0.000 1.0000 1.0000 1 42 45 -0.000 0.000 1.0000 1.0000 1 43 44 -0.000 0.000 1.0000 1.0000 1 43 45 -0.000 0.000 1.0000 1.0000 1 44 45 -0.000 0.000 1.0000 1.0000 1 46 94 -82.115 0.000 0.9251 0.6255 1 46 109 -104.099 0.000 0.7611 0.2722 1 51 54 -3.994 0.000 0.7641 0.6962 1 51 55 -3.994 0.000 0.7477 0.6835 1 51 241 -190.094 0.000 0.7138 0.4620 1 53 56 -3.997 0.000 0.7647 0.6371 1 53 57 -3.996 0.000 0.7737 0.6663 1 53 73 -18.011 0.000 0.8367 0.6974 1 53 74 -18.011 0.000 0.7409 0.5471 1 54 55 -0.000 0.000 0.9576 0.8120 1 54 96 -71.037 0.000 0.8244 0.6417 1 54 97 -71.036 0.000 0.8295 0.6939 1 54 98 -71.037 0.000 0.8212 0.6599 1 54 99 -71.037 0.000 0.8314 0.6364 1 54 100 -74.047 0.000 0.8045 0.7251 1 54 105 -88.064 0.000 0.8182 0.6907 1 54 106 -89.047 0.000 0.8443 0.6963 1 54 129 -103.064 0.000 0.8777 0.7628 1 54 130 -103.064 0.000 0.8777 0.7628 1 54 138 -126.044 0.000 0.7566 0.5342 1 54 150 -140.059 0.000 0.7264 0.5118 1 54 151 -140.060 0.000 0.7171 0.4974 1 54 152 -144.054 0.000 0.7484 0.5439 1 54 153 -144.090 0.000 0.8013 0.6709 1 54 160 -154.075 0.000 0.7665 0.4971 1 54 165 -158.069 0.000 0.7391 0.4844 1 54 166 -158.069 0.000 0.7391 0.4844 1 54 167 -158.069 0.000 0.7313 0.4963 1 54 168 -158.070 0.000 0.7629 0.5296 1 54 170 -162.065 0.000 0.7217 0.6021 1 54 219 -170.106 0.000 0.7303 0.4412 1 54 221 -171.077 0.000 0.7407 0.4472 1 54 227 -172.085 0.000 0.7082 0.5640 1 54 228 -172.085 0.000 0.7474 0.4734 1 54 232 -176.080 0.000 0.7424 0.5390 1 54 233 -176.080 0.000 0.7424 0.5390 1 54 248 -188.080 0.000 0.7517 0.4718 1 54 256 -190.095 0.000 0.7493 0.5570 1 54 257 -190.095 0.000 0.7543 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0.6182 1 582 583 -0.009 0.000 1.0000 1.0000 1 582 584 -0.009 0.000 1.0000 1.0000 1 582 585 -0.010 0.000 1.0000 1.0000 1 582 586 -0.960 0.000 0.9260 0.7679 1 582 598 -14.026 0.000 0.8761 0.7140 1 582 599 -14.025 0.000 0.9224 0.8158 1 582 601 -14.982 0.000 0.7139 0.5446 1 582 605 -25.999 0.000 0.7399 0.6850 1 582 610 -30.984 0.000 0.7112 0.8136 1 582 611 -30.977 0.000 0.7112 0.8136 1 583 584 -0.000 0.000 1.0000 1.0000 1 583 585 -0.001 0.000 1.0000 1.0000 1 583 586 -0.951 0.000 0.9260 0.7679 1 583 598 -14.018 0.000 0.8761 0.7140 1 583 599 -14.016 0.000 0.9224 0.8158 1 583 601 -14.973 0.000 0.7139 0.5446 1 583 605 -25.990 0.000 0.7399 0.6850 1 583 610 -30.975 0.000 0.7112 0.8136 1 583 611 -30.969 0.000 0.7112 0.8136 1 584 585 -0.001 0.000 1.0000 1.0000 1 584 586 -0.951 0.000 0.9260 0.7679 1 584 598 -14.017 0.000 0.8761 0.7140 1 584 599 -14.016 0.000 0.9224 0.8158 1 584 601 -14.973 0.000 0.7139 0.5446 1 584 605 -25.990 0.000 0.7399 0.6850 1 584 610 -30.975 0.000 0.7112 0.8136 1 584 611 -30.968 0.000 0.7112 0.8136 1 585 586 -0.950 0.000 0.9260 0.7679 1 585 598 -14.016 0.000 0.8761 0.7140 1 585 599 -14.015 0.000 0.9224 0.8158 1 585 601 -14.972 0.000 0.7139 0.5446 1 585 605 -25.989 0.000 0.7399 0.6850 1 585 610 -30.974 0.000 0.7112 0.8136 1 585 611 -30.967 0.000 0.7112 0.8136 1 586 601 -14.022 0.000 0.9556 0.8488 1 586 605 -25.039 0.000 0.7529 0.5723 1 586 610 -30.024 0.000 0.7088 0.8162 1 586 611 -30.017 0.000 0.7088 0.8162 1 586 619 -52.049 0.000 0.7288 0.5668 1 587 588 -0.001 0.000 0.7944 0.7453 1 587 589 -0.001 0.000 0.7944 0.7453 1 587 590 -0.001 0.000 0.7651 0.6684 1 587 598 -12.039 0.000 0.7071 0.6010 1 588 589 0.000 0.000 1.0000 1.0000 1 588 590 0.000 0.000 0.7170 0.6504 1 588 598 -12.038 0.000 0.9155 0.8223 1 588 617 -43.005 0.000 0.7152 0.6856 1 589 590 0.000 0.000 0.7170 0.6504 1 589 598 -12.038 0.000 0.9155 0.8223 1 589 617 -43.006 0.000 0.7152 0.6856 1 590 599 -12.037 0.000 0.8872 0.7875 1 590 601 -12.994 0.000 0.8447 0.6415 1 590 602 -14.016 0.000 0.8900 0.6718 1 590 603 -14.016 0.000 0.8900 0.6718 1 591 592 0.001 0.000 0.9559 0.7880 1 591 604 -14.014 0.000 0.9759 0.8635 1 591 609 -28.030 0.000 0.8473 0.6527 1 591 610 -28.036 0.000 0.9720 0.8840 1 591 611 -28.029 0.000 0.9720 0.8840 1 591 612 -28.029 0.000 0.9218 0.6231 1 591 613 -28.030 0.000 0.9301 0.6023 1 591 614 -28.030 0.000 0.9301 0.6023 1 591 616 -42.046 0.000 0.8494 0.7026 1 591 617 -42.046 0.000 0.7964 0.5885 1 591 618 -42.045 0.000 0.9696 0.8326 1 592 604 -14.015 0.000 0.9393 0.7159 1 592 609 -28.031 0.000 0.8541 0.7547 1 592 610 -28.037 0.000 0.9343 0.7421 1 592 611 -28.031 0.000 0.9343 0.7421 1 592 612 -28.031 0.000 0.9153 0.6928 1 592 613 -28.031 0.000 0.9230 0.6698 1 592 614 -28.032 0.000 0.9230 0.6698 1 592 616 -42.047 0.000 0.8412 0.7403 1 592 617 -42.047 0.000 0.7922 0.6508 1 592 618 -42.046 0.000 0.9357 0.8354 1 593 596 -2.015 0.000 0.8903 0.8892 1 593 597 -2.015 0.000 0.8701 0.8407 1 593 604 -4.978 0.000 0.7716 0.7329 1 593 605 -14.015 0.000 0.9561 0.7700 1 593 615 -28.031 0.000 0.9511 0.7615 1 594 595 -0.000 0.000 1.0000 1.0000 1 594 605 -14.014 0.000 0.8888 0.8373 1 594 606 -14.016 0.000 0.8122 0.7196 1 594 607 -14.016 0.000 0.9413 0.8674 1 594 608 -16.031 0.000 0.8505 0.8093 1 594 619 -41.024 0.000 0.8236 0.8476 1 595 605 -14.014 0.000 0.8888 0.8373 1 595 606 -14.015 0.000 0.8122 0.7196 1 595 607 -14.015 0.000 0.9413 0.8674 1 595 608 -16.031 0.000 0.8505 0.8093 1 595 619 -41.024 0.000 0.8236 0.8476 1 596 597 0.000 0.000 0.9802 0.8750 1 596 604 -2.963 0.000 0.8258 0.7726 1 596 608 -14.017 0.000 0.9792 0.8835 1 597 604 -2.963 0.000 0.8050 0.6933 1 597 608 -14.017 0.000 0.9871 0.9572 1 599 601 -0.957 0.000 0.8928 0.6958 1 599 607 -11.975 0.000 0.7183 0.7191 1 601 615 -25.034 0.000 0.7575 0.5048 1 601 620 -52.042 0.000 0.7263 0.5395 1 602 603 -0.000 0.000 1.0000 1.0000 1 604 609 -14.016 0.000 0.9428 0.6597 1 604 610 -14.022 0.000 0.9855 0.8954 1 604 611 -14.016 0.000 0.9855 0.8954 1 604 612 -14.015 0.000 0.9228 0.5740 1 604 613 -14.016 0.000 0.9290 0.5533 1 604 614 -14.016 0.000 0.9290 0.5533 1 604 616 -28.032 0.000 0.8083 0.5697 1 604 617 -28.032 0.000 0.7899 0.5176 1 604 618 -28.031 0.000 0.9641 0.7594 1 605 608 -2.017 0.000 0.8731 0.7949 1 605 610 -4.985 0.000 0.7782 0.6564 1 605 611 -4.979 0.000 0.7733 0.6474 1 605 612 -4.979 0.000 0.7695 0.8167 1 605 613 -4.979 0.000 0.8024 0.8632 1 605 614 -4.980 0.000 0.8024 0.8632 1 605 615 -14.017 0.000 0.9591 0.8773 1 605 619 -27.010 0.000 0.9067 0.8476 1 606 607 0.000 0.000 0.7931 0.6706 1 606 615 -14.016 0.000 0.7267 0.5749 1 607 615 -14.016 0.000 0.9075 0.7886 1 607 618 -18.993 0.000 0.7155 0.7662 1 607 620 -41.024 0.000 0.8104 0.6915 1 608 610 -2.968 0.000 0.7821 0.7361 1 608 611 -2.962 0.000 0.7821 0.7361 1 608 612 -2.961 0.000 0.7498 0.6388 1 608 613 -2.962 0.000 0.7711 0.6516 1 608 614 -2.963 0.000 0.7711 0.6516 1 608 619 -24.993 0.000 0.8549 0.7942 1 609 610 -0.006 0.000 0.8132 0.5587 1 609 611 0.000 0.000 0.8132 0.5587 1 609 612 0.000 0.000 0.8462 0.6453 1 609 613 -0.000 0.000 0.8044 0.5452 1 609 614 -0.001 0.000 0.8044 0.5452 1 609 616 -14.016 0.000 0.9472 0.8585 1 609 617 -14.016 0.000 0.9231 0.7845 1 609 618 -14.015 0.000 0.8061 0.6406 1 610 611 0.007 0.000 1.0000 1.0000 1 610 612 0.007 0.000 0.9265 0.6112 1 610 613 0.006 0.000 0.9344 0.5904 1 610 614 0.006 0.000 0.9344 0.5904 1 610 616 -14.010 0.000 0.9194 0.7179 1 610 617 -14.010 0.000 0.9247 0.6573 1 610 618 -14.009 0.000 0.9703 0.8110 1 611 612 0.000 0.000 0.9265 0.6112 1 611 613 -0.000 0.000 0.9344 0.5904 1 611 614 -0.001 0.000 0.9344 0.5904 1 611 616 -14.016 0.000 0.9194 0.7179 1 611 617 -14.016 0.000 0.9247 0.6573 1 611 618 -14.016 0.000 0.9703 0.8110 1 612 613 -0.001 0.000 0.9454 0.8359 1 612 614 -0.001 0.000 0.9454 0.8359 1 612 616 -14.017 0.000 0.8947 0.6690 1 612 617 -14.016 0.000 0.8940 0.6891 1 612 618 -14.016 0.000 0.9273 0.7025 1 613 614 -0.000 0.000 1.0000 1.0000 1 613 616 -14.016 0.000 0.9227 0.6906 1 613 617 -14.016 0.000 0.9409 0.7455 1 613 618 -14.015 0.000 0.9509 0.7068 1 614 616 -14.016 0.000 0.9227 0.6906 1 614 617 -14.015 0.000 0.9409 0.7455 1 614 618 -14.015 0.000 0.9509 0.7068 1 615 618 -4.978 0.000 0.7332 0.6298 1 615 620 -27.008 0.000 0.8731 0.7104 1 616 617 0.000 0.000 0.9071 0.7618 1 616 618 0.001 0.000 0.8076 0.6471 1 617 618 0.000 0.000 0.7735 0.6102 1 619 620 -14.015 0.000 0.9523 0.8720 1 622 623 -2.009 0.000 0.9765 0.9348 1 nf_output/networking/params/0000755000000000000000000000000014677277132015271 5ustar rootrootnf_output/networking/params/0.params0000644000000000000000000000026114677277132016634 0ustar rootrootALIGNS_FORMAT=tsv MIN_MATCHED_PEAKS=4 TOLERANCE_PEAK=0.05 TOLERANCE_PM=0.02 PAIRS_MIN_COSINE=0.7 MAX_SHIFT=1999.0 INPUT_SPECTRA_MS2=spectra_filtered.mgf IDX_START=0 IDX_END=626 nf_output/networking/clustersummary_with_network.tsv0000644000000000000000000015173114677304055022452 0ustar rootrootcluster index parent mass RTMean component #Scan# Compound_Name 1 601.333740234375 20.535698 7 2 603.33984375 21.482679 -1 3 613.3463134765625 17.786337 28 4 613.3477478027344 17.955804 28 5 614.3180541992188 21.353401 -1 6 614.46240234375 28.352775 55 7 614.46142578125 34.37290599999999 45 7.0 4-aminobutanoic acid_dodecanoic acid 8 614.4837036132812 32.775924 45 8.0 4-aminobutanoic acid_dodecanoic acid 9 615.3481140136719 16.6745 74 10 615.3495483398438 21.999558 7 11 619.343994140625 20.146169 7 12 620.4368286132812 27.504062 19 12.0 Spectral Match to p-tert-Octylphenol heptaglycol ether from NIST14 13 621.3402099609375 13.88492 12 14 622.3236694335938 15.132617 12 14.0 versicoloritide_A_22810_dereplictor_pv_1.77097e-11 15 627.3500366210938 14.832448 12 15.0 5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one 16 627.3475952148438 17.010981 12 16.0 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione 17 628.4771728515625 19.019706 -1 18 628.4773864746094 21.808095 55 18.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 19 628.4779968261719 28.191116 55 19.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 20 628.4794311523438 34.847428 45 20.0 Spectral Match to Decaethylene glycol from NIST14 21 628.478515625 34.933116 45 21.0 Spectral Match to Decaethylene glycol from NIST14 22 628.4786987304688 35.038309 45 22.0 Spectral Match to Decaethylene glycol from NIST14 23 628.4995727539062 24.358185 55 24 628.4990234375 33.833636 55 25 628.4995727539062 34.709818 45 25.0 Spectral Match to Decaethylene glycol from NIST14 26 629.3656005859375 23.285019 7 27 632.3187866210938 21.999558 65 28 632.3423461914062 17.42758 65 29 632.3428344726562 17.721595 65 30 632.3435668945312 18.022401 65 31 632.3430786132812 18.45238 65 32 632.3439331054688 21.967764 65 33 633.3610229492188 14.33157 7 34 633.3604736328125 15.645073 7 35 633.3598022460938 16.490684 42 36 633.360107421875 19.147238 7 37 633.3608703613281 19.985619 7 38 633.4536743164062 24.358185 65 39 634.3929443359375 11.936075 85 39.0 val-leu-pro-val-pro 40 634.39306640625 12.294409 85 40.0 val-leu-pro-val-pro 41 634.4522094726562 29.785324 19 41.0 Nonoxynol-9 42 636.3388671875 14.909345 40 42.0 CHEMBL4950191 43 636.339111328125 14.957069 40 43.0 CHEMBL4950191 44 636.3392333984375 14.974899 40 44.0 CHEMBL4950191 45 636.3392944335938 15.006099 40 45.0 CHEMBL4950191 46 636.4234008789062 32.250644 1 46.0 PE(16:0_16:1) - (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid 47 637.3299560546875 17.080544 -1 48 637.329833984375 18.790103 -1 49 640.4774780273438 21.711107 -1 50 640.4779663085938 28.320342 55 50.0 DGTSA(16:0/18:1); [M+H]+ C44H84N1O7 51 646.3599548339844 23.253204 65 52 647.3407592773438 24.262385 -1 53 647.3753051757812 15.96097 42 54 650.3538818359375 17.721595 65 55 650.3542785644531 21.999558 65 56 651.3719482421875 13.008585 42 57 651.3712158203125 15.274545 42 58 652.4122009277344 10.915696 85 58.0 val-leu-pro-val-pro 59 652.404052734375 11.041438 85 59.0 val-leu-pro-val-pro 60 654.49365234375 28.320342 -1 61 655.3815307617188 25.075065 -1 62 657.3597717285156 17.851845 3 63 657.3592529296875 18.388669 3 64 657.3589477539062 19.019706 3 65 657.3599243164062 19.274436 3 66 657.3602905273438 19.953779 3 67 657.3594360351562 20.017486 3 68 658.5101318359375 32.678652 45 68.0 4-aminobutanoic acid_dodecanoic acid 69 659.270263671875 17.36362 92 70 659.2700805664062 17.753448 92 71 661.3324584960938 17.010981 12 72 664.4625549316406 27.371168 19 72.0 Spectral Match to p-tert-Octylphenol undecaglycol ether from NIST14 73 665.3868408203125 14.359718000000004 42 74 665.3863220214844 18.45238 -1 75 670.4283447265625 16.134404 58 76 671.4117431640625 17.525661 58 76.0 PerindoprilErbumine 77 672.5257568359375 34.640694 45 77.0 11-Deoxy-PGE1 78 675.3702697753906 16.781076 3 79 679.3417358398438 19.657944 -1 80 682.48876953125 28.191116 55 80.0 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 81 691.3438720703125 18.854289 3 82 696.40673828125 18.95479 42 83 697.3910522460938 19.562088 42 84 702.4178466796875 19.657944 3 85 702.53662109375 32.580455 45 85.0 4-aminobutanoic acid_dodecanoic acid 86 705.3599853515625 19.723354000000004 3 87 705.359619140625 19.985619 3 88 709.3545837402344 16.470257 3 89 709.3546752929688 16.713757 3 90 709.3544006347656 16.941799 3 91 713.325439453125 18.516164 -1 92 716.5518798828125 34.640694 45 92.0 Amafolone 93 716.5520629882812 35.769225 45 93.0 Amafolone 94 718.5380859375 31.195332 1 94.0 PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid 95 719.3755187988281 20.760872 3 96 721.3907470703125 17.721595 11 97 721.39013671875 18.054842 11 98 721.3907470703125 18.2194 11 99 721.3906860351562 19.465899 11 100 724.4010925292969 17.36362 11 101 727.3658447265625 15.662902 3 102 728.4338989257812 24.551981 72 103 730.2463073730469 39.132822 -1 104 730.2456665039062 39.233577 -1 105 738.4176025390625 17.721595 11 106 739.400390625 18.352811 11 107 739.4133911132812 27.271837 1 108 739.9148559570312 27.504062 1 108.0 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 109 740.5220947265625 30.640927 1 109.0 PE(18:1/18:2); [M+H]+ C41H77N1O8P1 110 741.1956787109375 14.728426 13 110.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 111 741.1951293945312 14.749717 13 111.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 112 741.1948547363281 14.827991 13 112.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 113 741.195068359375 14.883548 13 113.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 114 741.1953735351562 14.904887 13 114.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 115 741.1956787109375 15.082696 13 115.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 116 741.1951904296875 16.12549 13 116.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 117 741.1953735351562 16.170063 13 117.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 118 741.1954956054688 16.222722 13 118.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 119 741.1947021484375 16.260096 13 119.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 120 741.1942138671875 16.31984 13 120.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 121 741.1946716308594 16.610049 13 121.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 122 741.1950073242188 36.462923 56 122.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 123 741.1935424804688 36.589956 56 123.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 124 741.194580078125 36.841138 56 124.0 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 125 741.3804321289062 16.713757 3 126 741.5255737304688 30.539781 1 126.0 [2,3-di[octadeca-9,12-dienoyloxy]propoxy][2,3-dihydroxypropoxy]phosphinic acid 127 748.4024047851562 24.520088 72 128 752.4331665039062 18.516164 61 129 753.4173889160156 19.921494 11 130 753.41796875 20.146169 11 131 760.5790405273438 34.439356 45 131.0 Spectral Match to Nonaethylene glycol from NIST14 132 761.3865966796875 23.931388 3 132.0 N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide 133 762.385009765625 19.497727 78 134 762.4176635742188 19.497727 74 135 762.41845703125 28.287912 72 136 770.444580078125 21.224835 11 137 770.4797973632812 18.617482 58 138 776.3975219726562 21.224835 11 139 780.4281616210938 19.465899 42 140 780.4290161132812 20.439982 72 141 780.4281005859375 22.451275 72 142 781.4592895507812 16.380422 -1 143 784.461181640625 22.644244 11 144 784.4603881835938 22.836814 11 145 788.40087890625 20.503842 11 146 788.4344482421875 24.262385 68 147 788.4342041015625 24.745275 68 148 788.4542541503906 17.786337 -1 149 788.4541015625 18.584652 11 150 790.4131469726562 20.567556 11 151 790.4142456054688 22.483111 11 152 794.4075927734375 17.657386 11 153 794.443603515625 18.287806 11 154 794.4442138671875 19.147238 -1 155 796.3684387207031 16.47567 78 156 796.3684692382812 16.908323 78 157 798.4385986328125 18.087319 42 158 804.3950805664062 17.170599 11 159 804.427978515625 19.147238 -1 160 804.4292602539062 21.999558 11 161 806.410400390625 17.721595 11 162 806.4070129394531 20.307146 11 163 806.4646606445312 16.941799 11 164 808.4235229492188 17.921619 -1 165 808.4229125976562 18.154705 11 166 808.4232177734375 18.32032 11 167 808.4227600097656 18.790103 11 168 808.4234008789062 20.146169 11 169 810.4032287597656 14.749717 -1 170 812.4186401367188 16.639185 -1 171 815.2146911621094 15.754087 32 171.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 172 815.2146606445312 15.767804 32 172.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 173 815.21484375 15.781175 32 173.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 174 815.2146606445312 15.790089 32 174.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 175 815.2146911621094 15.830204 32 175.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 176 815.2148132324219 15.844354 32 176.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 177 815.2145385742188 15.857725999999998 32 177.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 178 815.2135620117188 15.96097 32 178.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 179 815.2138061523438 15.999561 32 179.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 180 815.2140808105469 16.098747 32 180.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 181 815.2144165039062 16.112118 32 181.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 182 815.2139892578125 16.121033 32 182.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 183 815.2144165039062 16.129947 31 183.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 184 815.214111328125 16.138862 31 184.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 185 815.2140808105469 16.147776 31 185.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 186 815.214111328125 16.183672 31 186.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 187 815.2141418457031 16.222722 31 187.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 188 815.21337890625 16.353477 31 188.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 189 815.2130737304688 17.080544 31 189.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 190 815.2134704589844 36.841138 -1 190.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 191 815.2142333984375 37.328839 20 191.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 192 815.2138671875 37.372997000000005 20 192.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 193 815.2144470214844 37.484368 20 193.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 194 815.2142944335938 37.859838 -1 194.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 195 815.2142333984375 38.40598 31 195.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 196 815.2142944335938 38.908438 47 196.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 197 815.2145385742188 38.94687 47 197.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 198 815.2147827148438 38.998739 47 198.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 199 815.2149047851562 39.012111 47 199.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 200 815.2149963378906 39.238799 51 200.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 201 815.2159729003906 39.471224 51 201.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 202 815.213623046875 40.609626 8 202.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 203 815.2136840820312 40.627456 8 203.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 204 815.2142944335938 40.64082700000001 8 204.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 205 815.2138061523438 40.649742 8 205.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 206 815.2139282226562 40.68555 8 206.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 207 815.2142944335938 40.695485 8 207.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 208 815.21435546875 40.76234 8 208.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 209 815.21484375 40.826471 8 209.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 210 815.2144165039062 40.928363 8 210.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 211 815.2155151367188 40.941734 8 211.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 212 815.2155151367188 40.959563 8 212.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 213 815.2151489257812 40.981849 8 213.0 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 214 818.4107055664062 18.087319 -1 215 818.4447021484375 23.253204 -1 216 820.4237060546875 18.187531 -1 217 820.4232177734375 18.854289 -1 218 820.4237060546875 19.497727 11 219 820.4598388671875 21.224835 -1 220 821.421630859375 16.781076 -1 221 821.4306640625 19.147238 11 222 821.4549560546875 17.657386 11 223 822.3858032226562 20.471945 29 224 822.4063720703125 14.87909 11 225 822.4068603515625 15.141531000000002 11 226 822.4068603515625 15.495975 11 227 822.438720703125 17.395775 11 228 822.4386596679688 19.115444 11 229 822.4368896484375 28.385628 11 230 823.4013061523438 22.094941 -1 231 826.3768005371094 16.747425 -1 232 826.433837890625 17.047095 11 233 826.4334716796875 17.264498 11 234 829.418212890625 22.126737 -1 235 831.3869018554688 21.904041 34 236 832.4605102539062 24.520088 11 237 834.4374389648438 20.209979 -1 238 834.4389953613281 21.385414 11 239 835.4712829589844 21.678764 -1 240 836.453857421875 19.019706 61 241 836.454345703125 19.985619 11 242 837.4196166992188 23.253204 -1 243 838.380126953125 15.94663 11 244 838.3795166015625 16.353477 29 245 838.4334106445312 16.555904 29 246 838.4336242675781 17.047095 29 247 838.4339294433594 17.395775 -1 248 838.4334716796875 18.054842 11 249 838.4471740722656 12.889338 12 249.0 Tyr-C8:0 250 838.4466552734375 12.990756 12 250.0 Tyr-C8:0 251 839.419921875 20.11416 11 252 839.466064453125 17.955804 11 253 839.466064453125 18.2194 11 254 840.3946533203125 18.087319 -1 255 840.4248046875 22.580554 -1 256 840.4490356445312 17.395775 11 257 840.4491577148438 17.851845 11 258 840.4666137695312 17.657386 11 259 841.4117431640625 19.147238 54 260 841.9130859375 19.147238 54 261 842.4037475585938 19.921494 54 262 842.4042358398438 20.503842 93 263 842.4052124023438 19.953779 54 264 842.4056396484375 20.695634 93 265 842.405517578125 21.385414 -1 266 842.4780883789062 21.678764 11 267 843.4406127929688 20.827553 11 268 844.4201049804688 18.2194 -1 268.0 Massbank: Etofylline|7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione 269 845.4058532714844 23.253204 -1 270 846.4765625 25.47724 11 271 847.4349365234375 20.795586 11 272 849.3966064453125 19.179033 57 273 850.4706420898438 20.795586 11 274 850.4866333007812 21.289306 11 275 852.4288330078125 24.777854 11 276 852.4491882324219 18.755646 11 277 853.481201171875 19.465899 11 278 853.4815063476562 22.67609 -1 279 854.4646301269531 18.45238 11 280 855.929443359375 19.985619 -1 281 856.3915405273438 14.443666 11 282 856.3909912109375 14.807175 11 283 856.4439697265625 16.941799 11 284 858.4362182617188 19.465899 -1 285 858.475341796875 19.370407 11 286 859.4222412109375 17.395775 -1 287 860.3914184570312 18.2194 -1 287.0 Massbank:PR309199 Hydroxyferulic acid 288 861.4497985839844 18.723261 11 289 864.4872436523438 21.613491 11 290 865.4443969726562 18.723261 11 291 865.4813232421875 19.115444 -1 292 865.4820556640625 20.471945 11 293 865.4813842773438 20.695634 11 294 867.4061889648438 17.395775 -1 295 867.4963684082031 18.2194 11 296 872.4523620605469 20.375454 -1 297 874.4098510742188 19.465899 -1 298 876.4462890625 18.187531 -1 299 878.5753173828125 31.260622 76 299.0 PE(16:0/18:1); [M-H]- C39H75N1O8P1 300 880.4439086914062 16.977976 11 301 880.4443664550781 17.206946 11 302 880.4441528320312 17.721595 11 303 889.480712890625 17.010981 12 304 893.3607788085938 17.42758 -1 305 895.526611328125 19.115444 48 306 899.523681640625 18.2194 11 307 899.5239868164062 18.723261 11 308 904.5910034179688 31.195332 76 309 905.4761962890624 20.795586 11 310 916.4557189941406 18.584652 11 311 917.51318359375 23.605608 11 312 917.5126953125 23.963914 11 313 918.8126220703124 35.871578 14 314 918.812042236328 36.013094 14 315 918.812255859375 36.070533 14 316 918.8131103515624 36.17552 14 317 918.8123779296876 36.371927 14 318 918.8114624023438 36.462923 14 319 918.8121948242188 36.941471 16 320 918.8135681152344 37.143022 16 321 918.8122253417968 37.592121 16 322 918.8117065429688 37.63984 16 323 918.8125915527344 37.738688 16 324 918.8124389648438 37.841735 16 325 918.81201171875 37.926449 16 326 918.8124389648438 37.946297 16 327 918.8126220703124 38.037976 16 328 918.81201171875 38.13705 16 329 918.8114318847656 38.372157 33 330 918.8112182617188 38.472978 33 331 918.8118896484376 38.574359 33 332 918.812530517578 38.628365 -1 332.0 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 333 918.812042236328 38.767098 -1 333.0 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 334 918.8125 38.831873 9 335 918.8123474121094 38.908438 9 336 918.8127746582032 38.98091 9 337 918.8138427734376 38.989825 9 338 918.8135986328124 39.007654 9 339 918.8126831054688 39.016569 9 340 918.81298828125 39.132822 16 341 918.8125 39.233577 16 342 918.8131103515624 39.291195 16 343 918.8130493164062 39.320477 16 344 918.813720703125 39.419082 16 345 918.8140869140624 39.525475 16 346 923.6070556640624 34.640694 -1 346.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 347 925.5028381347656 21.999558 48 348 935.4866638183594 20.307146 -1 349 939.4891967773438 19.985619 -1 350 940.4666137695312 18.054842 11 351 940.6331787109376 29.492812 22 352 943.5120239257812 19.147238 48 353 943.5261840820312 21.092826 25 354 943.5254516601562 21.224835 25 355 943.5258178710938 22.514948 25 356 943.5263671875 22.80494 25 357 943.5286254882812 21.0595 25 358 943.5281982421876 21.12879 25 359 943.5293579101562 21.257266 25 360 943.5284423828124 21.449574 25 361 943.5280456542968 22.644244 25 362 953.5334777832032 17.264498 25 363 953.5325317382812 17.4594 25 364 953.5337829589844 17.689214 25 365 953.5350036621094 17.921619 25 366 953.5331420898438 18.087319 25 367 953.5342712402344 24.520088 48 368 958.4774475097656 16.6745 -1 369 959.522705078125 18.584652 25 370 959.522216796875 18.987199 25 371 959.523193359375 19.953779 25 372 967.5504150390624 21.0595 25 373 973.5397338867188 26.441372 25 374 973.8185424804688 35.955449 84 375 973.8187255859376 36.17552 84 376 973.8185119628906 36.371927 84 377 980.627685546875 31.06622 23 377.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 378 980.6278686523438 32.283798 -1 379 980.6283569335938 33.437558 -1 379.0 [Val7]-Surfactin_C15ai_45009_dereplictor_pv_9.80728e-39 380 980.662628173828 33.89865 89 381 987.5173950195312 17.264498 25 382 987.5174560546876 18.287806 25 383 990.6448974609376 33.866435 41 384 994.6439514160156 32.93867 -1 384.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 385 1004.6649780273438 35.302085 41 385.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 386 1008.6596069335938 33.866435 23 386.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 387 1008.6590576171876 37.143022 26 387.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 388 1008.696044921875 36.807444 89 389 1011.667724609375 35.196881 -1 390 1016.6249084472656 33.03999 -1 391 1018.680908203125 36.243844 41 391.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 392 1018.68212890625 37.075523 41 392.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 393 1018.6795654296876 38.574359 41 393.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 394 1018.6807861328124 38.722706 41 394.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 395 1020.6591186523438 33.670812 23 395.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 396 1022.5546264648438 18.790103 11 397 1022.6386108398438 26.707716 23 397.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 398 1022.6380004882812 31.358941 23 398.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 399 1022.677490234375 32.548353 23 399.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 400 1022.675048828125 32.93867 23 400.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 401 1022.6757202148438 35.302085 23 401.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 402 1024.654541015625 25.810308 22 402.0 Surfactin C 403 1024.6524047851562 32.809047 23 403.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 404 1024.6536865234375 33.238558 23 404.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 405 1025.68505859375 36.301447 -1 406 1026.6148071289062 32.678652 23 407 1032.6956787109375 38.439603 41 408 1034.6757202148438 34.908667 23 408.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 409 1034.67431640625 35.106308 23 409.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 410 1035.61962890625 33.931451 37 411 1035.6197509765625 34.37290599999999 37 412 1036.12353515625 33.833636 23 412.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 413 1036.6536865234375 27.86556 23 413.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 414 1036.6533203125 32.742811 23 414.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 415 1036.6903076171875 33.735354 23 415.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 416 1036.6927490234375 34.640694 22 417 1036.6917724609375 36.565826 23 417.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 418 1038.6700439453125 26.873297 22 418.0 Surfactin C 419 1038.6673583984375 34.168856 23 419.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 420 1038.667236328125 34.439356 2 421 1038.66748046875 34.81366 2 422 1039.70166015625 32.613806 4 423 1039.703857421875 34.406369 2 424 1039.710205078125 34.777114 4 425 1040.63134765625 33.70294 4 425.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 426 1040.63037109375 34.205059 4 427 1040.630859375 34.607662 4 428 1040.6322631835938 34.847428 4 429 1040.68408203125 31.195332 22 429.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 430 1042.6099853515625 28.060623 23 431 1042.6105346679688 29.524971 23 432 1042.6435546875 31.854405 23 432.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 433 1044.6573486328125 34.640694 10 433.0 CHEBI:182584 434 1044.65625 35.955449 -1 435 1044.6956787109375 33.57126 22 436 1048.69091796875 36.243844 26 436.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 437 1050.669921875 28.936042 23 437.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 438 1050.669921875 31.294646 23 438.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 439 1050.6678466796875 34.067514 23 439.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 440 1050.707275390625 38.40598 23 440.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 441 1050.7062377929688 40.928363 30 441.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 442 1052.5445556640625 21.839917 -1 443 1052.68505859375 28.352775 22 443.0 Surfactin C 444 1052.6851806640625 34.100397 -1 445 1052.6861572265625 35.106308 67 446 1052.6800537109375 35.302085 67 447 1052.6849365234375 35.535485 -1 448 1053.7208251953125 34.968725 4 449 1053.7172241210938 35.164353 2 450 1053.717041015625 36.371927 2 451 1053.71533203125 36.716625 2 452 1053.7164306640625 36.874391 2 452.0 Surfactin C 453 1054.64794921875 35.038309 4 453.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 454 1054.64697265625 35.535485 4 455 1054.697509765625 32.548353 22 455.0 Surfactin C 456 1056.626220703125 29.295468 52 456.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 457 1056.6259765625 30.803023 23 457.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 458 1056.6259765625 31.195332 23 458.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 459 1056.6259155273438 34.168856 4 460 1056.6258544921875 34.640694 4 461 1058.67333984375 35.955449 -1 462 1058.6729736328125 36.371927 -1 463 1058.67041015625 36.740811 -1 464 1058.672119140625 36.90823 -1 465 1058.6724853515625 36.974683 -1 466 1058.6737060546875 37.10926299999999 -1 467 1062.5772094726562 34.37290599999999 10 468 1064.58154296875 27.006392 -1 469 1064.7217407226562 38.530636 -1 469.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 470 1064.7236328125 39.263323 30 470.0 [Leu7]-Surfactin_C14i_monomethyl_ester_45019_dereplictor_pv_9.54813e-25 471 1064.7249755859375 40.143327 23 471.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 472 1064.72314453125 40.591798 23 472.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 473 1067.7332763671875 34.607662 4 474 1067.7327880859375 35.769225 4 474.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 475 1067.7330322265625 37.460258 2 476 1068.68017578125 29.197986 22 477 1068.7166748046875 34.270981 22 478 1069.7125854492188 33.931451 4 479 1070.6412353515625 29.850119 52 479.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 480 1070.6414794921875 31.260622 23 480.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 481 1070.641357421875 32.283798 23 481.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 482 1070.6425170898438 35.038309 4 483 1070.6422119140625 35.535485 4 484 1070.6727294921875 34.238502 -1 484.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 485 1074.646484375 36.680353 -1 486 1074.6458740234375 36.740811 -1 487 1076.5943603515625 34.574656 10 488 1076.5916748046875 35.23305 10 489 1076.593994140625 35.955449 10 490 1076.59423828125 36.070533 10 491 1079.7319946289062 35.335024 4 491.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 492 1079.73291015625 35.70234 4 492.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 493 1081.751953125 40.213448 4 494 1081.7506103515625 40.288975 4 495 1081.75146484375 40.30234600000001 4 496 1081.7507934570312 40.311261 4 497 1081.7493896484375 40.433363 4 498 1081.749267578125 40.442278 4 499 1081.7491455078125 40.893624 4 499.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 500 1081.7513427734375 40.999616 4 500.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 501 1082.5672607421875 15.662902 12 502 1082.5663452148438 15.892604 12 503 1082.5660400390625 15.910433 12 504 1082.5658569335938 15.94663 21 505 1082.565673828125 15.956512 21 506 1082.566650390625 16.380422 21 507 1090.60888671875 35.989198 10 508 1090.608642578125 36.371927 10 509 1090.610107421875 37.075523 18 510 1090.6098022460938 37.961594 18 511 1090.6099853515625 38.806031 18 512 1092.6226806640625 32.678652 -1 512.0 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one 513 1092.7296142578125 35.140472 49 514 1092.7266845703125 35.302085 49 515 1092.72900390625 37.143022 -1 516 1093.59130859375 18.45238 11 517 1093.7470703125 36.774337 4 517.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 518 1094.74560546875 36.496046 -1 519 1095.7659301757812 35.335024 4 519.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 520 1095.7647094726562 35.70234 4 520.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 521 1095.7603759765625 37.041993 4 522 1095.767578125 39.912799 4 523 1095.76708984375 40.013806 4 524 1095.7677001953125 40.1068 4 525 1095.7674560546875 40.30234600000001 4 526 1095.7667236328125 40.311261 4 527 1095.7664794921875 40.32909 4 528 1095.7670288085938 40.338004 4 529 1095.7642822265625 40.515994 4 530 1099.7060546875 34.777114 64 531 1100.578125 14.801855 12 532 1100.578369140625 15.001642 12 533 1106.742919921875 35.502703 17 534 1106.7432861328125 35.838498 17 535 1106.7447509765625 36.209429 53 536 1106.744140625 36.405715 53 537 1106.7435913085938 37.542308 35 538 1106.7435302734375 37.615778 35 539 1106.74658203125 37.718698 35 540 1106.7432861328125 37.744252 35 541 1106.7435302734375 37.8172 96 542 1106.743408203125 37.859838 96 543 1108.760498046875 37.372997000000005 4 544 1108.7590942382812 37.697967 4 545 1108.7608032226562 38.40598 4 546 1109.744140625 35.038309 4 547 1109.7423095703125 35.70234 4 548 1109.7422485351562 37.514461 2 549 1109.779541015625 36.774337 4 549.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 550 1109.7794189453125 38.574359 -1 551 1109.7813110351562 38.806031 -1 552 1109.7828369140625 39.525475 4 553 1115.6988525390625 32.710748 64 554 1118.6412353515625 40.489538 18 555 1118.6412963867188 40.618541 18 556 1120.759521484375 36.405715 17 557 1120.7584228515625 36.589956 17 558 1120.7607421875 37.075523 17 559 1120.7589111328125 37.187982 17 560 1120.7598876953125 37.542308 17 561 1120.7601318359375 37.615778 17 562 1120.7601318359375 37.859838 17 563 1120.760498046875 37.885787 17 564 1120.7593994140625 37.930906 17 565 1120.7601318359375 37.985873 17 566 1120.759521484375 38.042433 17 567 1120.7601318359375 38.088184 17 568 1120.759033203125 38.13705 17 569 1120.759765625 38.826618 17 570 1121.766357421875 35.769225 4 570.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 571 1121.779296875 35.735811 4 571.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 572 1121.7774047851562 35.805441 4 572.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 573 1122.7318115234375 35.265972 4 573.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 574 1122.7316284179688 35.70234 4 574.0 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop 575 1123.75537109375 35.989198 4 576 1123.7586669921875 36.841138 4 577 1123.7589111328125 37.926449 4 578 1123.80078125 38.40598 4 579 1133.7542724609375 35.769225 36 580 1134.7753295898438 37.328839 36 581 1134.7747802734375 38.40598 17 582 1135.78662109375 38.530636 4 583 1135.7953491210938 38.722706 4 584 1135.79541015625 38.94687 4 585 1135.7964477539062 38.98091 4 586 1136.746337890625 36.807444 4 586.0 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc 587 1137.7733764648438 37.314379 4 588 1137.7747802734375 37.537851 4 589 1137.7744140625 37.673345 4 590 1137.7744140625 39.263323 4 591 1138.7344970703125 33.931451 15 592 1138.7332153320312 34.336815 15 593 1147.7706298828125 35.769225 36 594 1147.770751953125 36.405715 36 595 1147.771240234375 36.589956 36 596 1149.7854614257812 35.265972 36 597 1149.7855224609375 35.769225 36 598 1149.8129272460938 37.673345 4 599 1149.8114624023438 38.40598 4 600 1149.86962890625 23.380564 -1 601 1150.768310546875 38.40598 4 602 1151.7904052734375 40.826471 94 603 1151.7908935546875 40.856355 94 604 1152.748291015625 35.265972 15 605 1161.7850952148438 36.740811 36 606 1161.7864379882812 37.293978 36 607 1161.786376953125 38.27225 36 607.0 2'-deoxycytidine 608 1163.80224609375 36.589956 36 609 1166.7640991210938 35.955449 15 610 1166.7703857421875 36.296498 15 611 1166.7637939453125 36.774337 15 612 1166.763671875 37.314379 15 613 1166.7642822265625 38.686023 15 614 1166.7648315429688 38.98091 15 615 1175.802001953125 38.338931 36 616 1180.7802734375 37.293978 15 617 1180.780029296875 37.673345 15 618 1180.779541015625 38.40598 15 619 1188.7950439453125 36.589956 36 620 1202.8104248046875 38.338931 36 621 1225.114501953125 22.063146 -1 622 1233.0980224609375 22.094941 34 623 1234.102294921875 22.031353 34 624 1252.12939453125 19.115444 -1 625 1260.1138916015625 19.115444 57 626 1384.7793579101562 22.159058 48 nf_output/networking/network_singletons.graphml0000644000000000000000000247256014677304070021330 0ustar rootroot 601.3337 20.54 20.54 0 7 1082.5657 15.96 15.96 0 21 1067.7328 35.77 35.77 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 815.2141 16.18 16.18 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1149.8115 38.41 38.41 0 4 943.5284 21.45 21.45 0 25 815.2134 16.35 16.35 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 634.3931 12.29 12.29 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 943.528 22.64 22.64 0 25 615.3481 16.67 16.67 0 74 1050.6699 31.29 31.29 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 628.478 28.19 28.19 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 836.4543 19.99 19.99 0 11 1040.6323 34.85 34.85 0 4 748.4024 24.52 24.52 0 72 918.8131 39.29 39.29 0 16 659.2703 17.36 17.36 0 92 1039.7039 34.41 34.41 0 2 1147.7706 35.77 35.77 0 36 1166.7638 36.77 36.77 0 15 821.4307 19.15 19.15 0 11 808.4232 18.32 18.32 0 11 1123.7587 36.84 36.84 0 4 741.1942 16.32 16.32 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 788.4541 18.58 18.58 0 11 1121.7774 35.81 35.81 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 718.5381 31.2 31.2 0 1 PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\\C=C/CCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1 1079.7329 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 899.524 18.72 18.72 0 11 682.4888 28.19 28.19 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 1108.7608 38.41 38.41 0 4 636.3392 14.97 14.97 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1018.6808 38.72 38.72 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1081.7515 40.3 40.3 0 4 1188.795 36.59 36.59 0 36 815.2148 39.0 39.0 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1137.7744 39.26 39.26 0 4 820.4237 19.5 19.5 0 11 826.4338 17.05 17.05 0 11 1109.7441 35.04 35.04 0 4 741.1954 14.9 14.9 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1180.7803 37.29 37.29 0 15 1161.7864 37.29 37.29 0 36 841.4117 19.15 19.15 0 54 959.5232 19.95 19.95 0 25 1122.7316 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1115.6989 32.71 32.71 0 64 1069.7126 33.93 33.93 0 4 780.4281 22.45 22.45 0 72 918.8138 38.99 38.99 0 9 842.4042 20.5 20.5 0 93 1050.7062 40.93 40.93 0 30 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 741.1951 14.75 14.75 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1038.6672 34.44 34.44 0 2 1081.7508 40.31 40.31 0 4 865.4814 20.7 20.7 0 11 628.4794 34.85 34.85 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 815.2144 16.13 16.13 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 780.4282 19.47 19.47 0 42 1120.7598 38.83 38.83 0 17 1090.6089 35.99 35.99 0 10 865.4444 18.72 18.72 0 11 815.2141 16.14 16.14 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1053.7208 34.97 34.97 0 4 741.1955 16.22 16.22 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 741.1947 16.61 16.61 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 627.35 14.83 14.83 0 12 5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one COc1cccc2cc3c(c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c12)C(C)OC3=O InChI=1S/C26H32O14/c1-9-15-11(24(34)37-9)6-10-4-3-5-12(35-2)16(10)23(15)40-26-22(33)20(31)18(29)14(39-26)8-36-25-21(32)19(30)17(28)13(7-27)38-25/h3-6,9,13-14,17-22,25-33H,7-8H2,1-2H3/t9?,13-,14-,17-,18-,19+,20+,21-,22-,25-,26+/m1/s1 741.1949 14.83 14.83 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1068.7167 34.27 34.27 0 22 943.5255 21.22 21.22 0 25 1109.7422 37.51 37.51 0 2 1024.6524 32.81 32.81 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1035.6198 34.37 34.37 0 37 918.8126 35.87 35.87 0 14 1134.7753 37.33 37.33 0 36 1052.6862 35.11 35.11 0 67 1090.61 38.81 38.81 0 18 761.3866 23.93 23.93 0 3 N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide O=C1C=C2C(=CC=C1NC(C(=O)N3CC=4NC=5C=CC=CC5C4CC3)C)C6=C(OC)C(OC)=C(OC)C=C6CCC2NC(=O)C InChI=1S/C35H38N4O6/c1-19(35(42)39-15-14-23-22-8-6-7-9-26(22)38-29(23)18-39)36-28-13-11-24-25(17-30(28)41)27(37-20(2)40)12-10-21-16-31(43-3)33(44-4)34(45-5)32(21)24/h6-9,11,13,16-17,19,27,38H,10,12,14-15,18H2,1-5H3,(H,36,41)(H,37,40) 967.5504 21.06 21.06 0 25 628.4787 35.04 35.04 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 918.8122 37.59 37.59 0 16 839.4661 18.22 18.22 0 11 1076.594 35.96 35.96 0 10 741.1957 14.73 14.73 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 796.3684 16.48 16.48 0 78 634.3929 11.94 11.94 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 636.3389 14.91 14.91 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1120.7601 37.86 37.86 0 17 1100.5784 15.0 15.0 0 12 973.5397 26.44 26.44 0 25 990.6449 33.87 33.87 0 41 1044.6573 34.64 34.64 0 10 CHEBI:182584 C/C=C(\\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C InChI=1S/C54H86O17/c1-14-27(2)51(57)68-42-22-37-36(54(58)20-18-35(28(3)55)53(42,54)9)16-15-33-21-34(17-19-52(33,37)8)67-43-24-39(60-11)48(30(5)64-43)70-45-26-41(62-13)50(32(7)66-45)71-46-25-40(61-12)49(31(6)65-46)69-44-23-38(59-10)47(56)29(4)63-44/h14-15,29-32,34-50,56,58H,16-26H2,1-13H3/b27-14+ 665.3868 14.36 14.36 0 42 1081.7513 41.0 41.0 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1081.7491 40.89 40.89 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1040.6309 34.61 34.61 0 4 652.4041 11.04 11.04 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 815.2147 15.75 15.75 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1161.7851 36.74 36.74 0 36 953.5343 24.52 24.52 0 48 727.3658 15.66 15.66 0 3 1120.7601 38.09 38.09 0 17 842.4781 21.68 21.68 0 11 1120.759 38.14 38.14 0 17 815.2141 16.1 16.1 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1024.6537 33.24 33.24 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 702.5366 32.58 32.58 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 788.4342 24.75 24.75 0 68 821.455 17.66 17.66 0 11 1082.5659 15.95 15.95 0 21 806.4647 16.94 16.94 0 11 1121.7664 35.77 35.77 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1099.7061 34.78 34.78 0 64 895.5266 19.12 19.12 0 48 1034.6757 34.91 34.91 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1038.6674 34.17 34.17 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 657.3603 19.95 19.95 0 3 880.4444 17.21 17.21 0 11 1040.6304 34.21 34.21 0 4 1004.665 35.3 35.3 0 41 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 632.3439 21.97 21.97 0 65 632.3431 18.45 18.45 0 65 762.4177 19.5 19.5 0 74 1042.61 28.06 28.06 0 23 943.5286 21.06 21.06 0 25 657.3599 19.27 19.27 0 3 1042.6436 31.85 31.85 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 861.4498 18.72 18.72 0 11 1120.7599 37.54 37.54 0 17 832.4605 24.52 24.52 0 11 1120.7601 37.62 37.62 0 17 741.1952 16.13 16.13 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1082.5673 15.66 15.66 0 12 1038.67 26.87 26.87 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1135.7964 38.98 38.98 0 4 815.2143 40.7 40.7 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2143 38.91 38.91 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 918.8126 37.74 37.74 0 16 702.4178 19.66 19.66 0 3 1095.7643 40.52 40.52 0 4 780.429 20.44 20.44 0 72 1108.7605 37.37 37.37 0 4 1039.7017 32.61 32.61 0 4 753.418 20.15 20.15 0 11 752.4332 18.52 18.52 0 61 798.4386 18.09 18.09 0 42 628.4774 21.81 21.81 0 55 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 nan nan 839.4661 17.96 17.96 0 11 1152.7483 35.27 35.27 0 15 770.4798 18.62 18.62 0 58 1024.6545 25.81 25.81 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2145 15.86 15.86 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1052.6851 28.35 28.35 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2144 40.93 40.93 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 808.4229 18.15 18.15 0 11 856.391 14.81 14.81 0 11 1034.6743 35.11 35.11 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2142 38.41 38.41 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 661.3325 17.01 17.01 0 12 980.6277 31.07 31.07 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1106.7435 37.62 37.62 0 35 822.4387 17.4 17.4 0 11 1166.7637 37.31 37.31 0 15 1050.7073 38.41 38.41 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 838.3801 15.95 15.95 0 11 838.4472 12.89 12.89 0 12 Tyr-C8:0 CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) 831.3869 21.9 21.9 0 34 815.2147 15.83 15.83 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 917.5127 23.96 23.96 0 11 1106.7434 37.86 37.86 0 96 1081.7493 40.44 40.44 0 4 1149.8129 37.67 37.67 0 4 1120.7601 37.99 37.99 0 17 1054.6479 35.04 35.04 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 790.4142 22.48 22.48 0 11 1137.7734 37.31 37.31 0 4 784.4604 22.84 22.84 0 11 1076.5944 34.57 34.57 0 10 1022.675 32.94 32.94 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 904.591 31.2 31.2 0 76 627.3476 17.01 17.01 0 12 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione CC(C)CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)c2nc3ccccc3c(=O)n21 InChI=1S/C27H29N5O4/c1-14(2)12-19-25(35)32-20-11-7-5-9-17(20)27(36,26(32)30-19)13-21-23(33)28-15(3)22-29-18-10-6-4-8-16(18)24(34)31(21)22/h4-11,14-15,19,21,26,30,36H,12-13H2,1-3H3,(H,28,33) 619.344 20.15 20.15 0 7 675.3703 16.78 16.78 0 3 842.4037 19.92 19.92 0 54 987.5175 18.29 18.29 0 25 1234.1023 22.03 22.03 0 34 1081.7494 40.43 40.43 0 4 867.4964 18.22 18.22 0 11 628.499 33.83 33.83 0 55 724.4011 17.36 17.36 0 11 808.4228 18.79 18.79 0 11 815.2149 39.01 39.01 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 980.6626 33.9 33.9 0 89 822.4064 14.88 14.88 0 11 1095.7671 40.01 40.01 0 4 1070.6422 35.54 35.54 0 4 614.4614 34.37 34.37 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 784.4612 22.64 22.64 0 11 709.3544 16.94 16.94 0 3 1036.1235 33.83 33.83 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 696.4067 18.95 18.95 0 42 849.3966 19.18 19.18 0 57 806.407 20.31 20.31 0 11 918.8137 39.42 39.42 0 16 1095.7659 35.34 35.34 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1022.6757 35.3 35.3 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 856.444 16.94 16.94 0 11 1064.725 40.14 40.14 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1106.7448 36.21 36.21 0 53 1053.7164 36.87 36.87 0 2 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 628.4785 34.93 34.93 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 1095.7676 39.91 39.91 0 4 1064.7231 40.59 40.59 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1018.6821 37.08 37.08 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 806.4104 17.72 17.72 0 11 1138.7345 33.93 33.93 0 15 657.3594 20.02 20.02 0 3 788.4009 20.5 20.5 0 11 804.4293 22.0 22.0 0 11 1082.5667 16.38 16.38 0 21 709.3546 16.47 16.47 0 3 918.8136 37.14 37.14 0 16 864.4872 21.61 21.61 0 11 918.8119 38.57 38.57 0 33 846.4766 25.48 25.48 0 11 815.216 39.47 39.47 0 51 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 670.4283 16.13 16.13 0 58 632.3428 17.72 17.72 0 65 1137.7744 37.67 37.67 0 4 1067.7333 34.61 34.61 0 4 1095.7604 37.04 37.04 0 4 1166.7641 35.96 35.96 0 15 1095.7675 40.3 40.3 0 4 815.2148 15.78 15.78 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1147.7708 36.41 36.41 0 36 815.214 16.12 16.12 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 850.4706 20.8 20.8 0 11 918.8141 39.53 39.53 0 16 838.4467 12.99 12.99 0 12 Tyr-C8:0 CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) 973.8185 35.96 35.96 0 84 760.579 34.44 34.44 0 45 Spectral Match to Nonaethylene glycol from NIST14 nan nan 657.3598 17.85 17.85 0 3 840.4666 17.66 17.66 0 11 918.8114 38.37 38.37 0 33 858.4753 19.37 19.37 0 11 1135.7953 38.72 38.72 0 4 822.4369 28.39 28.39 0 11 620.4368 27.5 27.5 0 19 Spectral Match to p-tert-Octylphenol heptaglycol ether from NIST14 nan nan 815.215 39.24 39.24 0 51 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 842.4056 20.7 20.7 0 93 1070.6425 35.04 35.04 0 4 1120.7605 37.89 37.89 0 17 1090.6098 37.96 37.96 0 18 943.5258 22.51 22.51 0 25 847.4349 20.8 20.8 0 11 1150.7683 38.41 38.41 0 4 918.8136 39.01 39.01 0 9 622.3237 15.13 15.13 0 12 versicoloritide_A_22810_dereplictor_pv_1.77097e-11 [H]N1C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H] InChI=1S/C31H37N5O5/c1-20-27(37)33-23(18-21-10-4-2-5-11-21)30(40)36-17-9-15-26(36)29(39)34-24(19-22-12-6-3-7-13-22)31(41)35-16-8-14-25(35)28(38)32-20/h2-7,10-13,20,23-26H,8-9,14-19H2,1H3,(H,32,38)(H,33,37)(H,34,39)/t20-,23-,24-,25-,26-/m0/s1 943.5294 21.26 21.26 0 25 918.8123 38.91 38.91 0 9 854.4646 18.45 18.45 0 11 633.3601 19.15 19.15 0 7 664.4626 27.37 27.37 0 19 Spectral Match to p-tert-Octylphenol undecaglycol ether from NIST14 nan nan 1106.7433 35.84 35.84 0 17 738.4176 17.72 17.72 0 11 741.5256 30.54 30.54 0 1 [2,3-di[octadeca-9,12-dienoyloxy]propoxy][2,3-dihydroxypropoxy]phosphinic acid 1020.6591 33.67 33.67 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1056.6259 34.17 34.17 0 4 614.4837 32.78 32.78 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 1151.7904 40.83 40.83 0 94 705.36 19.72 19.72 0 3 728.4339 24.55 24.55 0 72 1070.6415 31.26 31.26 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 628.4996 34.71 34.71 0 45 Spectral Match to Decaethylene glycol from NIST14 nan nan 1042.6105 29.52 29.52 0 23 916.4557 18.58 18.58 0 11 1093.7471 36.77 36.77 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 614.4624 28.35 28.35 0 55 628.4996 24.36 24.36 0 55 657.3589 19.02 19.02 0 3 953.5338 17.69 17.69 0 25 1122.7318 35.27 35.27 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 652.4122 10.92 10.92 0 85 val-leu-pro-val-pro N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 1151.7909 40.86 40.86 0 94 815.2141 16.15 16.15 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2139 37.37 37.37 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 839.4199 20.11 20.11 0 11 651.3712 15.27 15.27 0 42 815.2148 15.84 15.84 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1161.7864 38.27 38.27 0 36 2'-deoxycytidine Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1 InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 632.3436 18.02 18.02 0 65 815.2144 16.11 16.11 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 739.4004 18.35 18.35 0 11 1180.7795 38.41 38.41 0 15 1035.6196 33.93 33.93 0 37 1008.6591 37.14 37.14 0 26 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 741.1957 15.08 15.08 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1040.6313 33.7 33.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1106.7466 37.72 37.72 0 35 613.3477 17.96 17.96 0 28 853.4812 19.47 19.47 0 11 834.439 21.39 21.39 0 11 1100.5781 14.8 14.8 0 12 918.8123 36.07 36.07 0 14 1056.626 31.2 31.2 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1092.7267 35.3 35.3 0 49 1053.7172 35.16 35.16 0 2 1095.7665 40.33 40.33 0 4 1082.566 15.91 15.91 0 12 973.8187 36.18 36.18 0 84 1022.6386 26.71 26.71 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1092.7296 35.14 35.14 0 49 1081.752 40.21 40.21 0 4 621.3402 13.88 13.88 0 12 741.1946 36.84 36.84 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1120.7594 37.93 37.93 0 17 794.4436 18.29 18.29 0 11 1008.696 36.81 36.81 0 89 1093.5913 18.45 18.45 0 11 987.5174 17.26 17.26 0 25 1135.7866 38.53 38.53 0 4 739.9149 27.5 27.5 0 1 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 nan nan 776.3975 21.22 21.22 0 11 1120.7595 38.04 38.04 0 17 815.2142 37.33 37.33 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 633.3605 15.65 15.65 0 7 741.1951 14.88 14.88 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 740.5221 30.64 30.64 0 1 PE(18:1/18:2); [M+H]+ C41H77N1O8P1 nan nan 865.4821 20.47 20.47 0 11 646.36 23.25 23.25 0 65 1056.626 30.8 30.8 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 657.3593 18.39 18.39 0 3 815.2147 15.79 15.79 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 634.4522 29.79 29.79 0 19 Nonoxynol-9 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 "InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3" 1040.6841 31.2 31.2 0 22 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 640.478 28.32 28.32 0 55 DGTSA(16:0/18:1); [M+H]+ C44H84N1O7 nan nan 1068.6802 29.2 29.2 0 22 840.4492 17.85 17.85 0 11 838.3795 16.35 16.35 0 29 917.5132 23.61 23.61 0 11 721.3907 19.47 19.47 0 11 1166.7704 36.3 36.3 0 15 796.3685 16.91 16.91 0 78 1036.6537 27.87 27.87 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1036.6927 34.64 34.64 0 22 822.4387 19.12 19.12 0 11 822.3858 20.47 20.47 0 29 925.5028 22.0 22.0 0 48 1044.6957 33.57 33.57 0 22 1109.7828 39.53 39.53 0 4 842.4052 19.95 19.95 0 54 1056.6259 34.64 34.64 0 4 632.3423 17.43 17.43 0 65 899.5237 18.22 18.22 0 11 1081.7506 40.29 40.29 0 4 719.3755 20.76 20.76 0 3 741.195 36.46 36.46 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 918.8117 37.64 37.64 0 16 633.361 14.33 14.33 0 7 940.6332 29.49 29.49 0 22 1175.802 38.34 38.34 0 36 636.3391 14.96 14.96 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1079.732 35.34 35.34 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1166.7643 38.69 38.69 0 15 804.3951 17.17 17.17 0 11 1106.7433 37.74 37.74 0 35 650.3539 17.72 17.72 0 65 1038.6675 34.81 34.81 0 2 1064.7236 39.26 39.26 0 30 [Leu7]-Surfactin_C14i_monomethyl_ester_45019_dereplictor_pv_9.54813e-25 [H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(65)55-38(24-31(3)4)48(66)57-40(26-33(7)8)51(69)60-46(35(11)12)52(70)58-41(29-45(64)72-13)50(68)56-39(25-32(5)6)49(67)59-42(27-34(9)10)53(71)73-36/h30-42,46H,14-29H2,1-13H3,(H,54,61)(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,62,63)/t36?,37-,38+,39-,40?,41+,42+,46+/m1/s1 1166.7648 38.98 38.98 0 15 716.5519 34.64 34.64 0 45 Amafolone CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O "InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1" 1070.6414 32.28 32.28 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1120.7589 37.19 37.19 0 17 815.2139 40.69 40.69 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 647.3753 15.96 15.96 0 42 658.5101 32.68 32.68 0 45 4-aminobutanoic acid_dodecanoic acid CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) 659.2701 17.75 17.75 0 92 815.2151 40.98 40.98 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 739.4134 27.27 27.27 0 1 815.2136 40.61 40.61 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1260.1139 19.12 19.12 0 57 918.8125 39.23 39.23 0 16 1082.5663 15.89 15.89 0 12 1056.6262 29.3 29.3 0 52 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 838.4336 17.05 17.05 0 29 672.5258 34.64 34.64 0 45 11-Deoxy-PGE1 CCCCCC(O)C=CC1CCC(=O)C1CCCCCCC(=O)O "InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1" 973.8185 36.37 36.37 0 84 1137.7748 37.54 37.54 0 4 918.8127 39.02 39.02 0 9 815.2155 40.96 40.96 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 878.5753 31.26 31.26 0 76 PE(16:0/18:1); [M-H]- C39H75N1O8P1 nan nan 815.2148 40.83 40.83 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 836.4539 19.02 19.02 0 61 1123.7589 37.93 37.93 0 4 1123.8008 38.41 38.41 0 4 880.4442 17.72 17.72 0 11 651.3719 13.01 13.01 0 42 918.8124 37.95 37.95 0 16 1052.6801 35.3 35.3 0 67 741.3804 16.71 16.71 0 3 918.8124 36.37 36.37 0 14 1036.6918 36.57 36.57 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1008.6596 33.87 33.87 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 1039.7102 34.78 34.78 0 4 615.3495 22.0 22.0 0 7 1050.6678 34.07 34.07 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 918.8124 37.84 37.84 0 16 1133.7543 35.77 35.77 0 36 918.8125 38.83 38.83 0 9 918.8112 38.47 38.47 0 33 1120.7607 37.08 37.08 0 17 721.3907 17.72 17.72 0 11 613.3463 17.79 17.79 0 28 815.2137 40.63 40.63 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 852.4492 18.76 18.76 0 11 1384.7794 22.16 22.16 0 48 632.3188 22.0 22.0 0 65 918.8126 38.04 38.04 0 16 1120.7584 36.59 36.59 0 17 1121.7793 35.74 35.74 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 953.5331 18.09 18.09 0 25 1048.6909 36.24 36.24 0 26 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 843.4406 20.83 20.83 0 11 1076.5942 36.07 36.07 0 10 1036.6903 33.74 33.74 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 943.5282 21.13 21.13 0 25 815.2145 38.95 38.95 0 47 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 697.3911 19.56 19.56 0 42 1106.7441 36.41 36.41 0 53 1022.638 31.36 31.36 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 838.4334 16.56 16.56 0 29 815.2144 40.76 40.76 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2138 16.0 16.0 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 880.4439 16.98 16.98 0 11 1109.7423 35.7 35.7 0 4 918.8128 38.98 38.98 0 9 1053.7153 36.72 36.72 0 2 790.4131 20.57 20.57 0 11 1202.8104 38.34 38.34 0 36 741.1947 16.26 16.26 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 841.9131 19.15 19.15 0 54 822.4069 15.5 15.5 0 11 959.5222 18.99 18.99 0 25 826.4335 17.26 17.26 0 11 1138.7332 34.34 34.34 0 15 1036.6533 32.74 32.74 0 23 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1090.6086 36.37 36.37 0 10 1180.78 37.67 37.67 0 15 889.4807 17.01 17.01 0 12 1076.5917 35.23 35.23 0 10 1123.7554 35.99 35.99 0 4 1108.7591 37.7 37.7 0 4 1095.767 40.34 40.34 0 4 1118.6413 40.62 40.62 0 18 1054.6975 32.55 32.55 0 22 Surfactin C CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 905.4762 20.8 20.8 0 11 633.3609 19.99 19.99 0 7 918.812 36.01 36.01 0 14 953.535 17.92 17.92 0 25 741.1935 36.59 36.59 0 56 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 1022.6775 32.55 32.55 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 943.512 19.15 19.15 0 48 721.3901 18.05 18.05 0 11 815.2138 40.65 40.65 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1018.6809 36.24 36.24 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 918.8122 36.94 36.94 0 16 753.4174 19.92 19.92 0 11 1095.7647 35.7 35.7 0 4 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 788.4344 24.26 24.26 0 68 741.1954 16.17 16.17 0 13 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 671.4117 17.53 17.53 0 58 PerindoprilErbumine CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1 1090.6101 37.08 37.08 0 18 636.3393 15.01 15.01 0 40 CHEMBL4950191 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 1120.7595 36.41 36.41 0 17 1095.7667 40.31 40.31 0 4 1149.7855 35.77 35.77 0 36 1136.7463 36.81 36.81 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 815.2143 40.64 40.64 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 856.3915 14.44 14.44 0 11 838.4335 18.05 18.05 0 11 953.5325 17.46 17.46 0 25 918.813 39.13 39.13 0 16 762.385 19.5 19.5 0 78 943.5262 21.09 21.09 0 25 1050.6699 28.94 28.94 0 23 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 815.2136 15.96 15.96 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2141 16.22 16.22 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 794.4076 17.66 17.66 0 11 918.812 38.14 38.14 0 16 953.5335 17.26 17.26 0 25 815.2144 37.48 37.48 0 20 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 815.2155 40.94 40.94 0 8 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 705.3596 19.99 19.99 0 3 1163.8022 36.59 36.59 0 36 1018.6796 38.57 38.57 0 41 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 840.449 17.4 17.4 0 11 822.4069 15.14 15.14 0 11 808.4234 20.15 20.15 0 11 636.4234 32.25 32.25 0 1 PE(16:0_16:1) - (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\\C=C/CCCCCC InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1 1067.733 37.46 37.46 0 2 762.4185 28.29 28.29 0 72 770.4446 21.22 21.22 0 11 1134.7748 38.41 38.41 0 17 815.2147 15.77 15.77 0 32 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 709.3547 16.71 16.71 0 3 918.812 37.93 37.93 0 16 1026.6148 32.68 32.68 0 23 1053.717 36.37 36.37 0 2 1022.5546 18.79 18.79 0 11 633.3598 16.49 16.49 0 42 691.3439 18.85 18.85 0 3 650.3543 22.0 22.0 0 65 943.5264 22.8 22.8 0 25 940.4666 18.05 18.05 0 11 1147.7712 36.59 36.59 0 36 1070.6412 29.85 29.85 0 52 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1106.7435 37.82 37.82 0 96 918.8115 36.46 36.46 0 14 1095.7677 40.11 40.11 0 4 1149.7855 35.27 35.27 0 36 1135.7954 38.95 38.95 0 4 850.4866 21.29 21.29 0 11 716.5521 35.77 35.77 0 45 Amafolone CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O "InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1" 918.813 39.32 39.32 0 16 852.4288 24.78 24.78 0 11 918.8131 36.18 36.18 0 14 1106.7436 37.54 37.54 0 35 721.3907 18.22 18.22 0 11 959.5227 18.58 18.58 0 25 1233.098 22.09 22.09 0 34 815.2131 17.08 17.08 0 31 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1109.7795 36.77 36.77 0 4 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1032.6957 38.44 38.44 0 41 1062.5772 34.37 34.37 0 10 633.4537 24.36 24.36 0 65 1106.7429 35.5 35.5 0 17 1054.647 35.54 35.54 0 4 1118.6412 40.49 40.49 0 18 629.3656 23.29 23.29 0 7 812.4186 16.64 16.64 0 -1 844.4201 18.22 18.22 0 -1 Massbank: Etofylline|7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO 1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 1011.6677 35.2 35.2 0 -1 804.428 19.15 19.15 0 -1 1064.7217 38.53 38.53 0 -1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1016.6249 33.04 33.04 0 -1 1094.7456 36.5 36.5 0 -1 637.3298 18.79 18.79 0 -1 1092.729 37.14 37.14 0 -1 647.3408 24.26 24.26 0 -1 939.4892 19.99 19.99 0 -1 826.3768 16.75 16.75 0 -1 837.4196 23.25 23.25 0 -1 860.3914 18.22 18.22 0 -1 Massbank:PR309199 Hydroxyferulic acid O=C(O)C=CC1=CC(O)=C(O)C(OC)=C1 1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13) 788.4543 17.79 17.79 0 -1 858.4362 19.47 19.47 0 -1 1058.673 36.37 36.37 0 -1 838.4339 17.4 17.4 0 -1 980.6284 33.44 33.44 0 -1 [Val7]-Surfactin_C15ai_45009_dereplictor_pv_9.80728e-39 [H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] InChI=1S/C52H91N7O13/c1-13-34(12)20-18-16-14-15-17-19-21-35-27-41(60)53-36(22-23-42(61)62)46(65)54-37(24-29(2)3)47(66)55-38(25-30(4)5)49(68)58-44(32(8)9)51(70)57-40(28-43(63)64)48(67)56-39(26-31(6)7)50(69)59-45(33(10)11)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,66)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,61,62)(H,63,64)/t34?,35?,36-,37+,38?,39-,40+,44+,45+/m1/s1 637.33 17.08 17.08 0 -1 1058.6733 35.96 35.96 0 -1 730.2457 39.23 39.23 0 -1 654.4937 28.32 28.32 0 -1 840.3947 18.09 18.09 0 -1 655.3815 25.08 25.08 0 -1 1074.6459 36.74 36.74 0 -1 713.3254 18.52 18.52 0 -1 935.4867 20.31 20.31 0 -1 829.4182 22.13 22.13 0 -1 1109.7813 38.81 38.81 0 -1 821.4216 16.78 16.78 0 -1 1044.6562 35.96 35.96 0 -1 834.4374 20.21 20.21 0 -1 859.4222 17.4 17.4 0 -1 1109.7794 38.57 38.57 0 -1 835.4713 21.68 21.68 0 -1 842.4055 21.39 21.39 0 -1 845.4059 23.25 23.25 0 -1 893.3608 17.43 17.43 0 -1 1058.6725 36.97 36.97 0 -1 918.8125 38.63 38.63 0 -1 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 nan nan 923.6071 34.64 34.64 0 -1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 1058.6737 37.11 37.11 0 -1 1092.6227 32.68 32.68 0 -1 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one CC1(C)CCCC2(C)C3=C(C(=O)OC3O)C(O)CC12 InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3 640.4775 21.71 21.71 0 -1 1058.6721 36.91 36.91 0 -1 1052.6849 35.54 35.54 0 -1 823.4013 22.09 22.09 0 -1 820.4232 18.85 18.85 0 -1 855.9294 19.99 19.99 0 -1 820.4598 21.22 21.22 0 -1 818.4447 23.25 23.25 0 -1 874.4099 19.47 19.47 0 -1 1058.6704 36.74 36.74 0 -1 808.4235 17.92 17.92 0 -1 918.812 38.77 38.77 0 -1 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 nan nan 665.3863 18.45 18.45 0 -1 1052.6852 34.1 34.1 0 -1 994.644 32.94 32.94 0 -1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 958.4774 16.67 16.67 0 -1 1252.1294 19.12 19.12 0 -1 614.3181 21.35 21.35 0 -1 818.4107 18.09 18.09 0 -1 820.4237 18.19 18.19 0 -1 1149.8696 23.38 23.38 0 -1 603.3398 21.48 21.48 0 -1 876.4463 18.19 18.19 0 -1 867.4062 17.4 17.4 0 -1 815.2143 37.86 37.86 0 -1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 853.4815 22.68 22.68 0 -1 794.4442 19.15 19.15 0 -1 872.4524 20.38 20.38 0 -1 980.6279 32.28 32.28 0 -1 679.3417 19.66 19.66 0 -1 1025.6851 36.3 36.3 0 -1 865.4813 19.12 19.12 0 -1 1225.1145 22.06 22.06 0 -1 815.2135 36.84 36.84 0 -1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 1074.6465 36.68 36.68 0 -1 1052.5446 21.84 21.84 0 -1 628.4772 19.02 19.02 0 -1 1064.5815 27.01 27.01 0 -1 781.4593 16.38 16.38 0 -1 840.4248 22.58 22.58 0 -1 810.4032 14.75 14.75 0 -1 1070.6727 34.24 34.24 0 -1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 730.2463 39.13 39.13 0 -1 -18.01 -18 0.8747 0 1 11 7 Cosine 0.8747 -14.016 -14 0.926 0 1 10 7 Cosine 0.926 0.0 0 1.0 0 505 504 21 Cosine 1.0 -0.001 0 0.7781 0 505 506 21 Cosine 0.7781 -28.032 -28 0.9626 0 474 520 4 Cosine 0.9626 -14.016 -14 0.9302 0 474 499 4 Cosine 0.9302 -14.019 -14 0.9302 0 474 500 4 Cosine 0.9302 -28.033 -28 0.9553 0 474 519 4 Cosine 0.9553 -11.999 -11 0.9731 0 474 491 4 Cosine 0.9731 -12.0 -12 0.9616 0 474 492 4 Cosine 0.9616 -54.999 -54 0.9282 0 474 574 4 Cosine 0.9282 0.0 0 1.0 0 186 187 31 Cosine 1.0 0.001 0 0.9897 0 186 189 31 Cosine 0.9897 0.001 0 1.0 0 186 188 31 Cosine 1.0 0.0 0 1.0 0 186 184 31 Cosine 1.0 0.0 0 1.0 0 186 183 31 Cosine 1.0 -0.0 0 0.9893 0 186 195 31 Cosine 0.9893 0.0 0 1.0 0 186 185 31 Cosine 1.0 -26.011 -26 0.9253 0 599 578 4 Cosine 0.9253 -41.051 -41 0.9306 0 599 545 4 Cosine 0.9306 -43.989 -43 0.9277 0 360 382 25 Cosine 0.9277 0.001 0 1.0 0 360 359 25 Cosine 1.0 -0.002 0 0.9704 0 360 356 25 Cosine 0.9704 -15.994 -15 0.9692 0 360 370 25 Cosine 0.9692 0.0 0 0.9704 0 360 361 25 Cosine 0.9704 -10.005 -10 0.9192 0 360 364 25 Cosine 0.9192 -0.003 0 1.0 0 360 354 25 Cosine 1.0 -0.003 0 0.9704 0 360 355 25 Cosine 0.9704 -15.994 -15 0.9754 0 360 369 25 Cosine 0.9754 -15.995 -15 0.9352 0 360 371 25 Cosine 0.9352 0.001 0 1.0 0 188 187 31 Cosine 1.0 0.0 0 0.9897 0 188 189 31 Cosine 0.9897 0.001 0 1.0 0 188 183 31 Cosine 1.0 0.001 0 1.0 0 188 184 31 Cosine 1.0 0.001 0 1.0 0 188 185 31 Cosine 1.0 -0.001 0 0.9893 0 188 195 31 Cosine 0.9893 -0.0 0 0.9987 0 40 39 85 Cosine 0.9987 -18.019 -18 0.8661 0 40 58 85 Cosine 0.8661 -18.011 -18 0.8661 0 40 59 85 Cosine 0.8661 0.0 0 0.902 0 361 358 25 Cosine 0.902 0.001 0 0.9704 0 361 359 25 Cosine 0.9704 -0.002 0 0.902 0 361 353 25 Cosine 0.902 -0.002 0 1.0 0 361 356 25 Cosine 1.0 -15.994 -15 0.9678 0 361 370 25 Cosine 0.9678 -0.003 0 0.9704 0 361 354 25 Cosine 0.9704 -0.002 0 1.0 0 361 355 25 Cosine 1.0 0.001 0 0.902 0 361 357 25 Cosine 0.902 -15.995 -15 0.9676 0 361 369 25 Cosine 0.9676 -15.995 -15 0.9276 0 361 371 25 Cosine 0.9276 -147.07 -147 0.7399 0 9 134 74 Cosine 0.7399 -8.026 -8 0.9398 0 438 432 23 Cosine 0.9398 -70.042 -70 0.9349 0 438 377 23 Cosine 0.9349 -30.011 -30 0.9328 0 438 395 23 Cosine 0.9328 -28.032 -28 0.9138 0 438 398 23 Cosine 0.9138 -28.031 -28 0.9499 0 438 397 23 Cosine 0.9499 -14.053 -14 0.9322 0 438 472 23 Cosine 0.9322 -42.01 -42 0.9354 0 438 386 23 Cosine 0.9354 -13.978 -13 0.9289 0 438 417 23 Cosine 0.9289 0.0 0 0.9534 0 438 437 23 Cosine 0.9534 -0.001 0 0.7506 0 19 18 55 Cosine 0.7506 -14.032 -14 0.8506 0 241 274 11 Cosine 0.8506 -28.033 -28 0.8671 0 241 289 11 Cosine 0.8671 -14.016 -14 0.8117 0 428 453 4 Cosine 0.8117 -14.016 -14 0.8967 0 127 135 72 Cosine 0.8967 0.0 0 0.9727 0 342 320 16 Cosine 0.9727 -0.001 0 0.9727 0 342 319 16 Cosine 0.9727 -0.001 0 0.9737 0 342 321 16 Cosine 0.9737 -0.001 0 0.9737 0 342 322 16 Cosine 0.9737 -0.0 0 0.9737 0 342 323 16 Cosine 0.9737 -0.0 0 1.0 0 342 340 16 Cosine 1.0 -0.001 0 1.0 0 342 341 16 Cosine 1.0 0.0 0 1.0 0 342 343 16 Cosine 1.0 -0.001 0 1.0 0 342 344 16 Cosine 1.0 -0.001 0 1.0 0 342 345 16 Cosine 1.0 0.0 0 1.0 0 69 70 92 Cosine 1.0 -28.029 -28 0.8018 0 423 475 2 Cosine 0.8018 -1.037 -1 0.8267 0 423 420 2 Cosine 0.8267 -1.036 -1 0.8267 0 423 421 2 Cosine 0.8267 -14.013 -14 0.8995 0 423 449 2 Cosine 0.8995 -14.013 -14 0.8296 0 423 450 2 Cosine 0.8296 -2.015 -2 0.8701 0 593 597 36 Cosine 0.8701 -28.031 -28 0.9511 0 593 615 36 Cosine 0.9511 -14.016 -14 0.8996 0 593 579 36 Cosine 0.8996 -2.015 -2 0.8903 0 593 596 36 Cosine 0.8903 -14.015 -14 0.9561 0 593 605 36 Cosine 0.9561 -0.001 0 0.9344 0 611 614 15 Cosine 0.9344 -14.016 -14 0.9855 0 611 604 15 Cosine 0.9855 -14.016 -14 0.9703 0 611 618 15 Cosine 0.9703 -28.029 -28 0.972 0 611 591 15 Cosine 0.972 -28.031 -28 0.9343 0 611 592 15 Cosine 0.9343 0.007 0 1.0 0 611 610 15 Cosine 1.0 0.0 0 0.9265 0 611 612 15 Cosine 0.9265 -0.0 0 0.9344 0 611 613 15 Cosine 0.9344 -14.016 -14 0.9194 0 611 616 15 Cosine 0.9194 -14.016 -14 0.9247 0 611 617 15 Cosine 0.9247 -1.006 -1 0.8595 0 221 229 11 Cosine 0.8595 -1.008 -1 0.9392 0 221 228 11 Cosine 0.9392 -14.014 -14 0.8816 0 166 229 11 Cosine 0.8816 -14.016 -14 0.9661 0 166 228 11 Cosine 0.9661 -0.0 0 1.0 0 166 165 11 Cosine 1.0 -2.016 -2 0.8741 0 166 162 11 Cosine 0.8741 -14.016 -14 0.9702 0 166 152 11 Cosine 0.9702 -12.028 -12 0.9266 0 576 582 4 Cosine 0.9266 -0.0 0 0.9513 0 576 577 4 Cosine 0.9513 -12.037 -12 0.9266 0 576 583 4 Cosine 0.9266 -13.979 -13 0.9401 0 576 549 4 Cosine 0.9401 -12.038 -12 0.9266 0 576 585 4 Cosine 0.9266 -12.037 -12 0.9266 0 576 584 4 Cosine 0.9266 0.001 0 0.9531 0 120 113 13 Cosine 0.9531 0.001 0 0.9531 0 120 111 13 Cosine 0.9531 0.001 0 0.9531 0 120 112 13 Cosine 0.9531 -0.0 0 1.0 0 120 121 13 Cosine 1.0 0.001 0 0.9531 0 120 110 13 Cosine 0.9531 0.001 0 1.0 0 120 116 13 Cosine 1.0 0.0 0 1.0 0 120 119 13 Cosine 1.0 0.001 0 1.0 0 120 117 13 Cosine 1.0 0.001 0 0.9531 0 120 115 13 Cosine 0.9531 0.001 0 0.9531 0 120 114 13 Cosine 0.9531 0.001 0 1.0 0 120 118 13 Cosine 1.0 -18.01 -18 0.898 0 149 136 11 Cosine 0.898 -17.956 -17 0.8742 0 149 161 11 Cosine 0.8742 -33.985 -33 0.9326 0 149 228 11 Cosine 0.9326 -33.983 -33 0.8486 0 149 229 11 Cosine 0.8486 -62.016 -62 0.9252 0 149 273 11 Cosine 0.9252 -76.033 -76 0.8883 0 149 289 11 Cosine 0.8883 -14.009 -14 0.9348 0 572 582 4 Cosine 0.9348 -0.011 0 1.0 0 572 570 4 Cosine 1.0 -42.045 -42 0.9356 0 572 491 4 Cosine 0.9356 -12.035 -12 0.9345 0 572 547 4 Cosine 0.9345 0.002 0 1.0 0 572 571 4 Cosine 1.0 -0.954 0 0.9586 0 572 573 4 Cosine 0.9586 -0.954 0 0.9601 0 572 574 4 Cosine 0.9601 -14.018 -14 0.9348 0 572 583 4 Cosine 0.9348 -14.018 -14 0.9348 0 572 584 4 Cosine 0.9348 -14.019 -14 0.9348 0 572 585 4 Cosine 0.9348 -82.115 -82 0.9251 0 94 46 1 Cosine 0.9251 -21.984 -21 0.7859 0 94 109 1 Cosine 0.7859 -16.032 -16 0.9688 0 492 520 4 Cosine 0.9688 -16.033 -16 0.9631 0 492 519 4 Cosine 0.9631 -42.999 -42 0.9184 0 492 573 4 Cosine 0.9184 -0.001 0 0.981 0 492 491 4 Cosine 0.981 -14.014 -14 0.9619 0 492 517 4 Cosine 0.9619 -32.028 -32 0.9075 0 307 295 11 Cosine 0.9075 -0.0 0 0.9493 0 307 306 11 Cosine 0.9493 -46.043 -46 0.8766 0 307 277 11 Cosine 0.8766 -54.011 -54 0.8587 0 80 18 55 Cosine 0.8587 -15.04 -15 0.941 0 545 578 4 Cosine 0.941 -12.994 -12 0.9293 0 545 528 4 Cosine 0.9293 -42.008 -42 0.8768 0 545 601 4 Cosine 0.8768 -12.994 -12 0.9293 0 545 527 4 Cosine 0.9293 -12.993 -12 0.9293 0 545 524 4 Cosine 0.9293 -12.994 -12 0.9293 0 545 526 4 Cosine 0.9293 -12.993 -12 0.9293 0 545 525 4 Cosine 0.9293 -12.996 -12 0.8941 0 545 529 4 Cosine 0.8941 -0.0 0 1.0 0 44 42 40 Cosine 1.0 -0.0 0 1.0 0 44 43 40 Cosine 1.0 -0.0 0 1.0 0 44 45 40 Cosine 1.0 -0.001 0 1.0 0 394 393 41 Cosine 1.0 -14.015 -14 0.9785 0 394 407 41 Cosine 0.9785 -28.036 -28 0.8639 0 394 383 41 Cosine 0.8639 0.001 0 0.9077 0 394 392 41 Cosine 0.9077 0.002 0 1.0 0 495 497 4 Cosine 1.0 -0.001 0 1.0 0 495 494 4 Cosine 1.0 0.001 0 1.0 0 495 496 4 Cosine 1.0 0.002 0 1.0 0 495 498 4 Cosine 1.0 -14.013 -14 0.9272 0 495 529 4 Cosine 0.9272 -41.024 -41 0.8236 0 619 594 36 Cosine 0.8236 -41.024 -41 0.8236 0 619 595 36 Cosine 0.8236 -27.01 -27 0.9067 0 619 605 36 Cosine 0.9067 -24.993 -24 0.8549 0 619 608 36 Cosine 0.8549 -14.015 -14 0.9523 0 619 620 36 Cosine 0.9523 -0.0 0 1.0 0 198 196 47 Cosine 1.0 -0.0 0 1.0 0 198 197 47 Cosine 1.0 -0.0 0 1.0 0 198 199 47 Cosine 1.0 -42.007 -42 0.9265 0 590 528 4 Cosine 0.9265 -14.016 -14 0.9342 0 590 577 4 Cosine 0.9342 -42.007 -42 0.9131 0 590 523 4 Cosine 0.9131 -42.008 -42 0.9265 0 590 527 4 Cosine 0.9265 -42.007 -42 0.9265 0 590 524 4 Cosine 0.9265 -42.007 -42 0.8919 0 590 522 4 Cosine 0.8919 -42.007 -42 0.9265 0 590 525 4 Cosine 0.9265 -42.008 -42 0.9265 0 590 526 4 Cosine 0.9265 -45.058 -45 0.8542 0 218 293 11 Cosine 0.8542 -45.058 -45 0.8542 0 218 292 11 Cosine 0.8542 -36.02 -36 0.874 0 218 283 11 Cosine 0.874 -49.979 -49 0.9077 0 218 136 11 Cosine 0.9077 -15.994 -15 0.9448 0 218 160 11 Cosine 0.9448 -14.015 -14 0.9652 0 218 238 11 Cosine 0.9652 -26.053 -26 0.8964 0 218 270 11 Cosine 0.8964 -102.033 -102 0.897 0 232 100 11 Cosine 0.897 0.0 0 1.0 0 232 233 11 Cosine 1.0 0.002 0 0.9861 0 546 547 4 Cosine 0.9861 -0.0 0 1.0 0 114 113 13 Cosine 1.0 -0.0 0 1.0 0 114 111 13 Cosine 1.0 -0.0 0 1.0 0 114 112 13 Cosine 1.0 0.001 0 0.9531 0 114 121 13 Cosine 0.9531 0.0 0 1.0 0 114 110 13 Cosine 1.0 0.0 0 0.9531 0 114 116 13 Cosine 0.9531 0.001 0 0.9531 0 114 119 13 Cosine 0.9531 0.0 0 0.9531 0 114 117 13 Cosine 0.9531 -0.0 0 1.0 0 114 115 13 Cosine 1.0 -0.0 0 0.9531 0 114 118 13 Cosine 0.9531 -14.016 -14 0.9227 0 616 614 15 Cosine 0.9227 0.0 0 0.9071 0 616 617 15 Cosine 0.9071 -14.016 -14 0.9472 0 616 609 15 Cosine 0.9472 -14.017 -14 0.8947 0 616 612 15 Cosine 0.8947 -42.047 -42 0.8412 0 616 592 15 Cosine 0.8412 -14.016 -14 0.9227 0 616 613 15 Cosine 0.9227 -42.046 -42 0.8494 0 616 591 15 Cosine 0.8494 -14.01 -14 0.9194 0 616 610 15 Cosine 0.9194 -27.011 -27 0.8476 0 606 580 36 Cosine 0.8476 -14.016 -14 0.7267 0 606 615 36 Cosine 0.7267 -14.016 -14 0.8122 0 606 594 36 Cosine 0.8122 0.0 0 0.7931 0 606 607 36 Cosine 0.7931 -14.015 -14 0.8122 0 606 595 36 Cosine 0.8122 -28.032 -28 0.7347 0 606 579 36 Cosine 0.7347 839.903 839 0.9176 0 259 260 54 Cosine 0.9176 839.412 839 0.7669 0 259 261 54 Cosine 0.7669 839.411 839 0.7669 0 259 263 54 Cosine 0.7669 -15.994 -15 0.9352 0 371 359 25 Cosine 0.9352 -15.997 -15 0.9276 0 371 356 25 Cosine 0.9276 -0.001 0 0.9214 0 371 370 25 Cosine 0.9214 -14.016 -14 0.9104 0 371 373 25 Cosine 0.9104 -15.998 -15 0.9352 0 371 354 25 Cosine 0.9352 -15.997 -15 0.9276 0 371 355 25 Cosine 0.9276 -26.967 -26 0.9417 0 574 520 4 Cosine 0.9417 -28.037 -28 0.939 0 574 601 4 Cosine 0.939 -0.965 0 0.9601 0 574 570 4 Cosine 0.9601 -26.966 -26 0.9224 0 574 519 4 Cosine 0.9224 0.0 0 0.982 0 574 573 4 Cosine 0.982 -0.952 0 0.9601 0 574 571 4 Cosine 0.9601 -43.0 -43 0.9313 0 574 491 4 Cosine 0.9313 -14.015 -14 0.9626 0 574 586 4 Cosine 0.9626 -15.993 -15 0.8305 0 553 530 64 Cosine 0.8305 -15.992 -15 0.8108 0 478 448 4 Cosine 0.8108 -18.01 -18 0.8702 0 141 135 72 Cosine 0.8702 0.001 0 0.9308 0 141 140 72 Cosine 0.9308 -0.001 0 1.0 0 337 336 9 Cosine 1.0 -0.001 0 1.0 0 337 334 9 Cosine 1.0 0.0 0 1.0 0 337 338 9 Cosine 1.0 -0.001 0 1.0 0 337 335 9 Cosine 1.0 0.001 0 1.0 0 337 339 9 Cosine 1.0 -0.001 0 1.0 0 262 264 93 Cosine 1.0 -14.017 -14 0.8219 0 441 470 30 Cosine 0.8219 0.0 0 1.0 0 111 113 13 Cosine 1.0 0.001 0 1.0 0 111 110 13 Cosine 1.0 0.0 0 1.0 0 111 112 13 Cosine 1.0 -0.001 0 1.0 0 111 115 13 Cosine 1.0 -0.0 0 0.9531 0 111 116 13 Cosine 0.9531 -0.0 0 0.9531 0 111 117 13 Cosine 0.9531 -0.0 0 0.9531 0 111 118 13 Cosine 0.9531 0.0 0 0.9531 0 111 119 13 Cosine 0.9531 0.0 0 0.9531 0 111 121 13 Cosine 0.9531 -0.0 0 1.0 0 420 421 2 Cosine 1.0 0.001 0 1.0 0 496 497 4 Cosine 1.0 0.002 0 1.0 0 496 498 4 Cosine 1.0 -0.0 0 1.0 0 496 494 4 Cosine 1.0 -14.013 -14 0.9272 0 496 529 4 Cosine 0.9272 0.001 0 1.0 0 293 292 11 Cosine 1.0 -88.073 -88 0.964 0 20 93 45 Cosine 0.964 -0.02 0 0.9882 0 20 25 45 Cosine 0.9882 -44.046 -44 0.9718 0 20 77 45 Cosine 0.9718 -13.996 -13 0.9507 0 20 8 45 Cosine 0.9507 -30.031 -30 0.8095 0 20 68 45 Cosine 0.8095 -14.018 -14 0.9507 0 20 7 45 Cosine 0.9507 0.001 0 1.0 0 20 21 45 Cosine 1.0 0.001 0 0.9915 0 20 22 45 Cosine 0.9915 -88.073 -88 0.9589 0 20 92 45 Cosine 0.9589 -132.1 -132 0.9159 0 20 131 45 Cosine 0.9159 0.0 0 1.0 0 183 187 31 Cosine 1.0 0.001 0 0.9897 0 183 189 31 Cosine 0.9897 0.0 0 1.0 0 183 184 31 Cosine 1.0 0.0 0 1.0 0 183 185 31 Cosine 1.0 0.0 0 0.9893 0 183 195 31 Cosine 0.9893 -147.068 -147 0.8166 0 139 35 42 Cosine 0.8166 -18.01 -18 0.9022 0 139 157 42 Cosine 0.9022 -84.022 -84 0.896 0 139 82 42 Cosine 0.896 0.0 0 0.9619 0 569 565 17 Cosine 0.9619 -0.0 0 0.9619 0 569 566 17 Cosine 0.9619 0.0 0 0.9619 0 569 567 17 Cosine 0.9619 -0.001 0 0.9619 0 569 568 17 Cosine 0.9619 -14.015 -14 0.8435 0 507 490 10 Cosine 0.8435 -14.015 -14 0.8303 0 507 487 10 Cosine 0.8303 -45.952 -45 0.7774 0 507 433 10 Cosine 0.7774 -14.017 -14 0.718 0 507 488 10 Cosine 0.718 -14.015 -14 0.8435 0 507 489 10 Cosine 0.8435 0.0 0 0.8343 0 507 508 10 Cosine 0.8343 -43.037 -43 0.8822 0 290 226 11 Cosine 0.8822 -18.01 -18 0.9119 0 290 271 11 Cosine 0.9119 0.0 0 1.0 0 184 187 31 Cosine 1.0 0.001 0 0.9897 0 184 189 31 Cosine 0.9897 0.0 0 1.0 0 184 185 31 Cosine 1.0 -0.0 0 0.9893 0 184 195 31 Cosine 0.9893 -14.019 -14 0.8025 0 448 422 4 Cosine 0.8025 -0.927 0 0.7951 0 448 453 4 Cosine 0.7951 -14.012 -14 0.8173 0 448 473 4 Cosine 0.8173 -0.0 0 0.9531 0 118 113 13 Cosine 0.9531 -0.001 0 0.9531 0 118 112 13 Cosine 0.9531 0.001 0 1.0 0 118 121 13 Cosine 1.0 0.0 0 0.9531 0 118 110 13 Cosine 0.9531 -0.0 0 1.0 0 118 116 13 Cosine 1.0 0.001 0 1.0 0 118 119 13 Cosine 1.0 -0.0 0 1.0 0 118 117 13 Cosine 1.0 0.0 0 0.9531 0 118 115 13 Cosine 0.9531 0.0 0 0.9531 0 121 113 13 Cosine 0.9531 0.0 0 0.9531 0 121 112 13 Cosine 0.9531 0.001 0 0.9531 0 121 110 13 Cosine 0.9531 0.001 0 0.9531 0 121 115 13 Cosine 0.9531 0.0 0 1.0 0 121 116 13 Cosine 1.0 0.001 0 1.0 0 121 117 13 Cosine 1.0 0.0 0 1.0 0 121 119 13 Cosine 1.0 -262.131 -262 0.8081 0 15 303 12 Cosine 0.8081 0.002 0 0.9687 0 15 16 12 Cosine 0.9687 -211.097 -211 0.7337 0 15 249 12 Cosine 0.7337 -211.097 -211 0.7337 0 15 250 12 Cosine 0.7337 -0.0 0 1.0 0 112 113 13 Cosine 1.0 0.001 0 1.0 0 112 110 13 Cosine 1.0 -0.001 0 1.0 0 112 115 13 Cosine 1.0 -0.0 0 0.9531 0 112 116 13 Cosine 0.9531 -0.0 0 0.9531 0 112 117 13 Cosine 0.9531 0.0 0 0.9531 0 112 119 13 Cosine 0.9531 -128.083 -128 0.9271 0 477 351 22 Cosine 0.9271 -14.019 -14 0.9463 0 477 455 22 Cosine 0.9463 -24.021 -24 0.9608 0 477 435 22 Cosine 0.9608 -43.992 -43 0.9277 0 354 382 25 Cosine 0.9277 -0.004 0 1.0 0 354 359 25 Cosine 1.0 -0.001 0 0.9704 0 354 356 25 Cosine 0.9704 -15.997 -15 0.9692 0 354 370 25 Cosine 0.9692 -10.008 -10 0.9192 0 354 364 25 Cosine 0.9192 -0.0 0 0.9704 0 354 355 25 Cosine 0.9704 -15.997 -15 0.9754 0 354 369 25 Cosine 0.9754 -42.009 -42 0.869 0 548 475 2 Cosine 0.869 -31.974 -31 0.7983 0 403 457 23 Cosine 0.7983 -1.977 -1 0.9213 0 403 401 23 Cosine 0.9213 -0.001 0 0.8126 0 403 404 23 Cosine 0.8126 -14.015 -14 0.8065 0 403 419 23 Cosine 0.8065 -0.0 0 0.9543 0 411 410 37 Cosine 0.9543 0.001 0 1.0 0 313 314 14 Cosine 1.0 -0.0 0 1.0 0 313 316 14 Cosine 1.0 0.0 0 0.8823 0 313 317 14 Cosine 0.8823 0.001 0 0.8823 0 313 318 14 Cosine 0.8823 0.0 0 1.0 0 313 315 14 Cosine 1.0 0.006 0 1.0 0 445 446 67 Cosine 1.0 -0.0 0 0.7081 0 511 510 18 Cosine 0.7081 -70.043 -70 0.8758 0 132 81 3 Cosine 0.8758 -104.028 -104 0.8802 0 132 64 3 Cosine 0.8802 -104.027 -104 0.8898 0 132 62 3 Cosine 0.8898 -56.027 -56 0.8593 0 132 86 3 Cosine 0.8593 -14.017 -14 0.9274 0 372 362 25 Cosine 0.9274 -14.018 -14 0.9274 0 372 363 25 Cosine 0.9274 -5.989 -5 0.8722 0 372 373 25 Cosine 0.8722 -19.967 -19 0.9033 0 372 381 25 Cosine 0.9033 -88.073 -88 0.9635 0 22 93 45 Cosine 0.9635 -0.021 0 0.9909 0 22 25 45 Cosine 0.9909 -44.047 -44 0.9766 0 22 77 45 Cosine 0.9766 -13.995 -13 0.9512 0 22 8 45 Cosine 0.9512 -30.031 -30 0.8109 0 22 68 45 Cosine 0.8109 -14.017 -14 0.9512 0 22 7 45 Cosine 0.9512 -0.0 0 0.9915 0 22 21 45 Cosine 0.9915 -88.073 -88 0.9676 0 22 92 45 Cosine 0.9676 -132.1 -132 0.9182 0 22 131 45 Cosine 0.9182 -0.002 0 0.9737 0 321 345 16 Cosine 0.9737 0.0 0 0.9978 0 321 328 16 Cosine 0.9978 -0.001 0 0.9737 0 321 343 16 Cosine 0.9737 0.0 0 1.0 0 321 322 16 Cosine 1.0 -0.0 0 1.0 0 321 323 16 Cosine 1.0 -0.001 0 0.9737 0 321 340 16 Cosine 0.9737 -0.0 0 0.9978 0 321 326 16 Cosine 0.9978 -0.0 0 0.9978 0 321 324 16 Cosine 0.9978 0.0 0 0.9978 0 321 325 16 Cosine 0.9978 -0.0 0 0.9978 0 321 327 16 Cosine 0.9978 -0.0 0 0.9737 0 321 341 16 Cosine 0.9737 -0.002 0 0.9737 0 321 344 16 Cosine 0.9737 -1.0 -1 0.9223 0 253 258 11 Cosine 0.9223 -254.125 -254 0.879 0 253 516 11 Cosine 0.879 -0.0 0 1.0 0 489 490 10 Cosine 1.0 0.0 0 0.8448 0 489 487 10 Cosine 0.8448 -0.002 0 0.7899 0 489 488 10 Cosine 0.7899 -31.937 -31 0.7116 0 489 433 10 Cosine 0.7116 -14.015 -14 0.8385 0 489 508 10 Cosine 0.8385 0.001 0 1.0 0 110 113 13 Cosine 1.0 0.0 0 1.0 0 110 115 13 Cosine 1.0 0.0 0 0.9531 0 110 116 13 Cosine 0.9531 0.0 0 0.9531 0 110 117 13 Cosine 0.9531 0.001 0 0.9531 0 110 119 13 Cosine 0.9531 -33.983 -33 0.7283 0 155 133 78 Cosine 0.7283 -0.0 0 0.8386 0 155 156 78 Cosine 0.8386 -18.011 -18 0.8771 0 39 59 85 Cosine 0.8771 -18.019 -18 0.8771 0 39 58 85 Cosine 0.8771 -0.0 0 1.0 0 42 45 40 Cosine 1.0 -0.0 0 1.0 0 42 43 40 Cosine 1.0 -0.001 0 0.9588 0 562 559 17 Cosine 0.9588 0.0 0 1.0 0 562 561 17 Cosine 1.0 0.0 0 0.9485 0 562 565 17 Cosine 0.9485 0.001 0 0.9604 0 562 558 17 Cosine 0.9604 0.001 0 1.0 0 562 564 17 Cosine 1.0 -0.0 0 1.0 0 562 560 17 Cosine 1.0 0.001 0 0.9485 0 562 568 17 Cosine 0.9485 0.0 0 0.9485 0 562 567 17 Cosine 0.9485 0.001 0 0.9485 0 562 566 17 Cosine 0.9485 -0.0 0 1.0 0 562 563 17 Cosine 1.0 -211.098 -211 0.8242 0 532 303 12 Cosine 0.8242 -18.012 -18 0.948 0 532 503 12 Cosine 0.948 -262.132 -262 0.7859 0 532 250 12 Cosine 0.7859 -18.012 -18 0.948 0 532 502 12 Cosine 0.948 -0.0 0 1.0 0 532 531 12 Cosine 1.0 -262.131 -262 0.7859 0 532 249 12 Cosine 0.7859 -18.011 -18 0.9463 0 532 501 12 Cosine 0.9463 -14.017 -14 0.9464 0 373 370 25 Cosine 0.9464 -14.017 -14 0.9632 0 373 369 25 Cosine 0.9632 -28.035 -28 0.8639 0 383 393 41 Cosine 0.8639 -42.051 -42 0.8642 0 383 407 41 Cosine 0.8642 -28.036 -28 0.807 0 383 391 41 Cosine 0.807 -28.037 -28 0.8268 0 383 392 41 Cosine 0.8268 -31.937 -31 0.7116 0 433 490 10 Cosine 0.7116 -18.011 -18 0.8367 0 73 53 42 Cosine 0.8367 -14.015 -14 0.8643 0 73 56 42 Cosine 0.8643 -14.016 -14 0.8456 0 73 57 42 Cosine 0.8456 -14.016 -14 0.9322 0 500 528 4 Cosine 0.9322 -0.002 0 1.0 0 500 499 4 Cosine 1.0 -14.015 -14 0.9322 0 500 527 4 Cosine 0.9322 0.001 0 0.957 0 500 493 4 Cosine 0.957 -11.996 -11 0.9504 0 500 517 4 Cosine 0.9504 -14.016 -14 0.9322 0 500 524 4 Cosine 0.9322 -14.016 -14 0.9322 0 500 525 4 Cosine 0.9322 -14.015 -14 0.9322 0 500 526 4 Cosine 0.9322 -28.028 -28 0.9504 0 500 549 4 Cosine 0.9504 -14.018 -14 0.9322 0 499 528 4 Cosine 0.9322 0.003 0 0.957 0 499 493 4 Cosine 0.957 -11.998 -11 0.9504 0 499 517 4 Cosine 0.9504 -14.019 -14 0.9322 0 499 524 4 Cosine 0.9322 -14.018 -14 0.9322 0 499 525 4 Cosine 0.9322 -14.018 -14 0.9322 0 499 526 4 Cosine 0.9322 -14.017 -14 0.9322 0 499 527 4 Cosine 0.9322 -28.03 -28 0.9504 0 499 549 4 Cosine 0.9504 -0.921 0 0.7942 0 427 424 4 Cosine 0.7942 -14.017 -14 0.855 0 427 453 4 Cosine 0.855 -14.016 -14 0.8483 0 427 454 4 Cosine 0.8483 0.008 0 1.0 0 59 58 85 Cosine 1.0 0.0 0 1.0 0 171 172 32 Cosine 1.0 -0.0 0 1.0 0 171 173 32 Cosine 1.0 0.0 0 1.0 0 171 174 32 Cosine 1.0 0.0 0 1.0 0 171 175 32 Cosine 1.0 -0.0 0 1.0 0 171 176 32 Cosine 1.0 0.0 0 1.0 0 171 177 32 Cosine 1.0 0.001 0 1.0 0 171 178 32 Cosine 1.0 0.001 0 1.0 0 171 179 32 Cosine 1.0 0.001 0 1.0 0 171 180 32 Cosine 1.0 0.0 0 1.0 0 171 181 32 Cosine 1.0 0.001 0 1.0 0 171 182 32 Cosine 1.0 -14.017 -14 0.9591 0 605 615 36 Cosine 0.9591 -14.014 -14 0.8888 0 605 594 36 Cosine 0.8888 -14.014 -14 0.8888 0 605 595 36 Cosine 0.8888 -28.031 -28 0.9462 0 367 347 48 Cosine 0.9462 -18.011 -18 0.9338 0 101 88 3 Cosine 0.9338 -14.015 -14 0.8622 0 101 125 3 Cosine 0.8622 -0.001 0 0.967 0 567 559 17 Cosine 0.967 0.0 0 0.9485 0 567 561 17 Cosine 0.9485 0.0 0 1.0 0 567 565 17 Cosine 1.0 -0.001 0 0.9485 0 567 564 17 Cosine 0.9485 -0.0 0 0.9485 0 567 560 17 Cosine 0.9485 0.001 0 1.0 0 567 568 17 Cosine 1.0 0.0 0 0.9485 0 567 563 17 Cosine 0.9485 -0.001 0 1.0 0 567 566 17 Cosine 1.0 -89.061 -89 0.9267 0 266 129 11 Cosine 0.9267 -11.987 -11 0.9121 0 266 279 11 Cosine 0.9121 -89.06 -89 0.9267 0 266 130 11 Cosine 0.9267 -15.997 -15 0.9305 0 266 285 11 Cosine 0.9305 -0.0 0 0.967 0 568 559 17 Cosine 0.967 0.001 0 0.9485 0 568 561 17 Cosine 0.9485 0.001 0 1.0 0 568 565 17 Cosine 1.0 0.0 0 0.9485 0 568 564 17 Cosine 0.9485 0.001 0 0.9485 0 568 560 17 Cosine 0.9485 0.001 0 0.9485 0 568 563 17 Cosine 0.9485 0.0 0 1.0 0 568 566 17 Cosine 1.0 -0.0 0 1.0 0 180 181 32 Cosine 1.0 0.001 0 1.0 0 180 175 32 Cosine 1.0 0.001 0 1.0 0 180 174 32 Cosine 1.0 -0.0 0 1.0 0 180 178 32 Cosine 1.0 -0.0 0 1.0 0 180 179 32 Cosine 1.0 0.0 0 1.0 0 180 182 32 Cosine 1.0 0.001 0 1.0 0 180 172 32 Cosine 1.0 0.001 0 1.0 0 180 173 32 Cosine 1.0 0.001 0 1.0 0 180 176 32 Cosine 1.0 0.0 0 1.0 0 180 177 32 Cosine 1.0 -14.016 -14 0.9603 0 85 93 45 Cosine 0.9603 -30.011 -30 0.8672 0 85 77 45 Cosine 0.8672 -88.075 -88 0.9278 0 85 7 45 Cosine 0.9278 -88.053 -88 0.9278 0 85 8 45 Cosine 0.9278 -44.027 -44 0.97 0 85 68 45 Cosine 0.97 -14.015 -14 0.9641 0 85 92 45 Cosine 0.9641 -58.042 -58 0.8422 0 85 131 45 Cosine 0.8422 0.0 0 0.9667 0 147 146 68 Cosine 0.9667 -58.989 -58 0.8734 0 222 301 11 Cosine 0.8734 -58.989 -58 0.8734 0 222 300 11 Cosine 0.8734 -32.026 -32 0.9069 0 222 277 11 Cosine 0.9069 -0.001 0 0.7781 0 504 506 21 Cosine 0.7781 -49.979 -49 0.8511 0 163 283 11 Cosine 0.8511 -14.02 -14 0.9348 0 570 582 4 Cosine 0.9348 -42.034 -42 0.9356 0 570 491 4 Cosine 0.9356 -12.024 -12 0.9345 0 570 547 4 Cosine 0.9345 -0.013 0 1.0 0 570 571 4 Cosine 1.0 -0.965 0 0.9586 0 570 573 4 Cosine 0.9586 -14.029 -14 0.9348 0 570 583 4 Cosine 0.9348 -14.029 -14 0.9348 0 570 584 4 Cosine 0.9348 -14.03 -14 0.9348 0 570 585 4 Cosine 0.9348 -47.985 -47 0.8202 0 305 352 48 Cosine 0.8202 0.001 0 1.0 0 408 409 23 Cosine 1.0 -11.998 -11 0.9372 0 408 399 23 Cosine 0.9372 -0.001 0 0.9035 0 66 63 3 Cosine 0.9035 -18.01 -18 0.8652 0 66 78 3 Cosine 0.8652 -0.0 0 0.8959 0 66 65 3 Cosine 0.8959 0.001 0 1.0 0 66 67 3 Cosine 1.0 -0.0 0 1.0 0 301 300 11 Cosine 1.0 0.0 0 0.9376 0 301 302 11 Cosine 0.9376 -14.018 -14 0.8489 0 426 453 4 Cosine 0.8489 -14.017 -14 0.8706 0 426 454 4 Cosine 0.8706 -15.995 -15 0.8347 0 426 459 4 Cosine 0.8347 -15.995 -15 0.8095 0 426 460 4 Cosine 0.8095 -14.016 -14 0.8689 0 385 391 41 Cosine 0.8689 -0.001 0 0.9714 0 32 31 65 Cosine 0.9714 -18.01 -18 0.899 0 32 54 65 Cosine 0.899 -0.001 0 0.9766 0 32 29 65 Cosine 0.9766 -0.0 0 0.94 0 32 30 65 Cosine 0.94 -0.025 0 0.9812 0 32 27 65 Cosine 0.9812 -0.002 0 0.9692 0 32 28 65 Cosine 0.9692 -1.11 -1 0.8166 0 32 38 65 Cosine 0.8166 -14.016 -14 0.8781 0 32 51 65 Cosine 0.8781 -18.01 -18 0.9002 0 32 55 65 Cosine 0.9002 -0.024 0 0.9736 0 31 27 65 Cosine 0.9736 -0.001 0 0.9768 0 31 28 65 Cosine 0.9768 -0.0 0 0.9773 0 31 29 65 Cosine 0.9773 0.001 0 0.9476 0 31 30 65 Cosine 0.9476 -1.111 -1 0.7779 0 31 38 65 Cosine 0.7779 -14.017 -14 0.8801 0 31 51 65 Cosine 0.8801 -18.011 -18 0.8978 0 31 54 65 Cosine 0.8978 -18.011 -18 0.8917 0 31 55 65 Cosine 0.8917 -28.031 -28 0.8723 0 430 481 23 Cosine 0.8723 -28.031 -28 0.9502 0 430 480 23 Cosine 0.9502 -14.016 -14 0.8825 0 430 458 23 Cosine 0.8825 -14.016 -14 0.948 0 430 457 23 Cosine 0.948 -0.0 0 0.8813 0 430 431 23 Cosine 0.8813 0.0 0 1.0 0 357 358 25 Cosine 1.0 -0.002 0 1.0 0 357 353 25 Cosine 1.0 -0.002 0 0.902 0 357 356 25 Cosine 0.902 -0.003 0 0.902 0 357 355 25 Cosine 0.902 -33.984 -33 0.9267 0 65 81 3 Cosine 0.9267 -0.001 0 0.9589 0 65 63 3 Cosine 0.9589 -18.01 -18 0.9122 0 65 78 3 Cosine 0.9122 0.001 0 0.8959 0 65 67 3 Cosine 0.8959 -45.058 -45 0.8987 0 65 84 3 Cosine 0.8987 -62.016 -62 0.9513 0 432 377 23 Cosine 0.9513 -33.984 -33 0.9473 0 432 386 23 Cosine 0.9473 -21.984 -21 0.9514 0 432 395 23 Cosine 0.9514 -20.005 -20 0.9456 0 432 397 23 Cosine 0.9456 -19.966 -19 0.9307 0 432 399 23 Cosine 0.9307 -5.952 -5 0.9648 0 432 417 23 Cosine 0.9648 -8.026 -8 0.9504 0 432 437 23 Cosine 0.9504 -8.064 -8 0.9459 0 432 440 23 Cosine 0.9459 -22.08 -22 0.9642 0 432 472 23 Cosine 0.9642 -18.009 -18 0.9306 0 288 267 11 Cosine 0.9306 -0.001 0 0.9588 0 560 559 17 Cosine 0.9588 -0.0 0 1.0 0 560 561 17 Cosine 1.0 -0.0 0 0.9485 0 560 565 17 Cosine 0.9485 0.001 0 0.9604 0 560 558 17 Cosine 0.9604 0.0 0 1.0 0 560 564 17 Cosine 1.0 -0.001 0 1.0 0 560 563 17 Cosine 1.0 0.0 0 0.9485 0 560 566 17 Cosine 0.9485 -1.979 -1 0.8776 0 236 238 11 Cosine 0.8776 -14.016 -14 0.8844 0 236 270 11 Cosine 0.8844 -0.001 0 0.9588 0 561 559 17 Cosine 0.9588 0.001 0 0.9604 0 561 558 17 Cosine 0.9604 -0.0 0 1.0 0 561 563 17 Cosine 1.0 0.001 0 1.0 0 561 564 17 Cosine 1.0 0.0 0 0.9485 0 561 565 17 Cosine 0.9485 0.001 0 0.9485 0 561 566 17 Cosine 0.9485 -0.0 0 0.9531 0 116 113 13 Cosine 0.9531 0.0 0 0.9531 0 116 115 13 Cosine 0.9531 -0.0 0 1.0 0 116 117 13 Cosine 1.0 0.0 0 1.0 0 116 119 13 Cosine 1.0 -193.087 -193 0.899 0 501 303 12 Cosine 0.899 0.001 0 0.9963 0 501 503 12 Cosine 0.9963 0.001 0 0.9963 0 501 502 12 Cosine 0.9963 -18.011 -18 0.9463 0 501 531 12 Cosine 0.9463 -461.227 -461 0.7624 0 501 13 12 Cosine 0.7624 -14.015 -14 0.9675 0 418 443 22 Cosine 0.9675 -14.016 -14 0.9587 0 418 402 22 Cosine 0.9587 -2.014 -2 0.7784 0 418 429 22 Cosine 0.7784 -0.01 0 1.0 0 585 582 4 Cosine 1.0 -12.037 -12 0.9478 0 585 577 4 Cosine 0.9478 -14.017 -14 0.9348 0 585 571 4 Cosine 0.9348 -0.001 0 1.0 0 585 583 4 Cosine 1.0 -26.017 -26 0.9276 0 585 549 4 Cosine 0.9276 -0.95 0 0.926 0 585 586 4 Cosine 0.926 -0.001 0 1.0 0 585 584 4 Cosine 1.0 -0.0 0 1.0 0 207 210 8 Cosine 1.0 -0.001 0 1.0 0 207 213 8 Cosine 1.0 -0.001 0 1.0 0 207 202 8 Cosine 1.0 -0.001 0 1.0 0 207 212 8 Cosine 1.0 -0.0 0 1.0 0 207 209 8 Cosine 1.0 -0.001 0 1.0 0 207 203 8 Cosine 1.0 0.0 0 1.0 0 207 204 8 Cosine 1.0 -0.0 0 1.0 0 207 205 8 Cosine 1.0 -0.0 0 1.0 0 207 206 8 Cosine 1.0 -0.0 0 1.0 0 207 208 8 Cosine 1.0 -0.001 0 1.0 0 207 211 8 Cosine 1.0 -0.0 0 1.0 0 196 197 47 Cosine 1.0 -0.001 0 1.0 0 196 199 47 Cosine 1.0 -0.001 0 0.9737 0 323 345 16 Cosine 0.9737 0.001 0 0.9978 0 323 328 16 Cosine 0.9978 -0.0 0 0.9737 0 323 343 16 Cosine 0.9737 -0.001 0 1.0 0 323 322 16 Cosine 1.0 0.0 0 0.9978 0 323 324 16 Cosine 0.9978 0.001 0 0.9978 0 323 325 16 Cosine 0.9978 0.0 0 0.9978 0 323 326 16 Cosine 0.9978 0.0 0 0.9978 0 323 327 16 Cosine 0.9978 -0.0 0 0.9737 0 323 340 16 Cosine 0.9737 0.0 0 0.9737 0 323 341 16 Cosine 0.9737 -0.001 0 0.9737 0 323 344 16 Cosine 0.9737 -45.058 -45 0.8633 0 84 63 3 Cosine 0.8633 -14.015 -14 0.9272 0 529 497 4 Cosine 0.9272 -14.015 -14 0.9272 0 529 498 4 Cosine 0.9272 -14.014 -14 0.9272 0 529 494 4 Cosine 0.9272 -18.01 -18 0.8629 0 140 135 72 Cosine 0.8629 -29.014 -29 0.8243 0 543 588 4 Cosine 0.8243 0.001 0 0.83 0 543 544 4 Cosine 0.83 -29.014 -29 0.8243 0 543 589 4 Cosine 0.8243 -32.027 -32 0.9339 0 130 96 11 Cosine 0.9339 -32.027 -32 0.9353 0 130 98 11 Cosine 0.9353 -0.001 0 1.0 0 130 129 11 Cosine 1.0 -87.031 -87 0.9265 0 130 256 11 Cosine 0.9265 -32.027 -32 0.9361 0 130 99 11 Cosine 0.9361 -15.0 -15 0.9451 0 130 105 11 Cosine 0.9451 -32.028 -32 0.9354 0 130 97 11 Cosine 0.9354 -14.018 -14 0.9828 0 130 106 11 Cosine 0.9828 -105.057 -105 0.9282 0 130 285 11 Cosine 0.9282 -84.021 -84 0.9198 0 128 240 61 Cosine 0.9198 -102.032 -102 0.9332 0 157 82 42 Cosine 0.9332 -101.047 -101 0.8251 0 157 83 42 Cosine 0.8251 -12.001 -12 0.7145 0 18 50 55 Cosine 0.7145 -14.015 -14 0.708 0 18 6 55 Cosine 0.708 -1.033 -1 0.9053 0 252 248 11 Cosine 0.9053 -14.016 -14 0.929 0 604 614 15 Cosine 0.929 -14.014 -14 0.9759 0 604 591 15 Cosine 0.9759 -14.015 -14 0.9393 0 604 592 15 Cosine 0.9393 -14.016 -14 0.9428 0 604 609 15 Cosine 0.9428 -14.022 -14 0.9855 0 604 610 15 Cosine 0.9855 -14.015 -14 0.9228 0 604 612 15 Cosine 0.9228 -14.016 -14 0.929 0 604 613 15 Cosine 0.929 -28.031 -28 0.9641 0 604 618 15 Cosine 0.9641 -99.068 -99 0.944 0 137 76 58 Cosine 0.944 -28.031 -28 0.9439 0 402 443 22 Cosine 0.9439 -16.03 -16 0.7734 0 402 429 22 Cosine 0.7734 0.0 0 1.0 0 177 181 32 Cosine 1.0 0.0 0 1.0 0 177 175 32 Cosine 1.0 0.0 0 1.0 0 177 174 32 Cosine 1.0 0.001 0 1.0 0 177 178 32 Cosine 1.0 0.001 0 1.0 0 177 179 32 Cosine 1.0 0.0 0 1.0 0 177 182 32 Cosine 1.0 0.0 0 1.0 0 177 172 32 Cosine 1.0 0.0 0 1.0 0 177 173 32 Cosine 1.0 0.0 0 1.0 0 177 176 32 Cosine 1.0 -15.995 -15 0.7886 0 443 476 22 Cosine 0.7886 -0.001 0 1.0 0 210 202 8 Cosine 1.0 -0.001 0 1.0 0 210 203 8 Cosine 1.0 -0.0 0 1.0 0 210 204 8 Cosine 1.0 -0.001 0 1.0 0 210 205 8 Cosine 1.0 -0.0 0 1.0 0 210 206 8 Cosine 1.0 0.0 0 1.0 0 210 208 8 Cosine 1.0 0.0 0 1.0 0 210 209 8 Cosine 1.0 -0.001 0 1.0 0 210 211 8 Cosine 1.0 -0.001 0 1.0 0 210 212 8 Cosine 1.0 -0.001 0 1.0 0 210 213 8 Cosine 1.0 -14.014 -14 0.8816 0 165 229 11 Cosine 0.8816 -14.016 -14 0.9661 0 165 228 11 Cosine 0.9661 -14.015 -14 0.9702 0 165 152 11 Cosine 0.9702 -2.016 -2 0.8741 0 165 162 11 Cosine 0.8741 -18.011 -18 0.9238 0 282 243 11 Cosine 0.9238 0.0 0 0.9172 0 282 281 11 Cosine 0.9172 -11.997 -11 0.9372 0 409 399 23 Cosine 0.9372 -0.0 0 0.9893 0 195 187 31 Cosine 0.9893 -0.001 0 0.9983 0 195 189 31 Cosine 0.9983 -0.0 0 0.9893 0 195 185 31 Cosine 0.9893 -39.009 -39 0.7116 0 71 14 12 Cosine 0.7116 -28.032 -28 0.9362 0 377 386 23 Cosine 0.9362 -40.031 -40 0.9447 0 377 395 23 Cosine 0.9447 -42.011 -42 0.9472 0 377 397 23 Cosine 0.9472 -42.05 -42 0.9339 0 377 399 23 Cosine 0.9339 -56.064 -56 0.9441 0 377 417 23 Cosine 0.9441 -70.042 -70 0.9403 0 377 437 23 Cosine 0.9403 -70.08 -70 0.9229 0 377 440 23 Cosine 0.9229 -84.095 -84 0.9485 0 377 472 23 Cosine 0.9485 0.0 0 1.0 0 538 537 35 Cosine 1.0 -0.003 0 1.0 0 538 539 35 Cosine 1.0 0.0 0 1.0 0 538 540 35 Cosine 1.0 -18.01 -18 0.9292 0 227 256 11 Cosine 0.9292 -18.028 -18 0.9172 0 227 258 11 Cosine 0.9172 -0.001 0 0.9454 0 612 614 15 Cosine 0.9454 -14.016 -14 0.9273 0 612 618 15 Cosine 0.9273 -14.016 -14 0.894 0 612 617 15 Cosine 0.894 -28.029 -28 0.9218 0 612 591 15 Cosine 0.9218 -28.031 -28 0.9153 0 612 592 15 Cosine 0.9153 0.007 0 0.9265 0 612 610 15 Cosine 0.9265 -0.001 0 0.9454 0 612 613 15 Cosine 0.9454 -42.048 -42 0.9227 0 440 386 23 Cosine 0.9227 -28.032 -28 0.9305 0 440 401 23 Cosine 0.9305 -14.018 -14 0.9481 0 440 471 23 Cosine 0.9481 -14.016 -14 0.95 0 440 472 23 Cosine 0.95 -33.985 -33 0.854 0 243 158 11 Cosine 0.854 -18.011 -18 0.91 0 243 281 11 Cosine 0.91 0.0 0 1.0 0 249 250 12 Cosine 1.0 -262.131 -262 0.7859 0 249 531 12 Cosine 0.7859 -803.422 -803 0.7829 0 235 622 34 Cosine 0.7829 -805.431 -805 0.8007 0 235 623 34 Cosine 0.8007 0.0 0 1.0 0 175 181 32 Cosine 1.0 0.0 0 1.0 0 175 172 32 Cosine 1.0 0.0 0 1.0 0 175 173 32 Cosine 1.0 0.0 0 1.0 0 175 174 32 Cosine 1.0 -0.0 0 1.0 0 175 176 32 Cosine 1.0 0.001 0 1.0 0 175 178 32 Cosine 1.0 0.001 0 1.0 0 175 179 32 Cosine 1.0 0.001 0 1.0 0 175 182 32 Cosine 1.0 0.0 0 0.9544 0 312 311 11 Cosine 0.9544 0.0 0 1.0 0 542 541 96 Cosine 1.0 0.0 0 1.0 0 498 497 4 Cosine 1.0 0.001 0 1.0 0 498 494 4 Cosine 1.0 -12.038 -12 0.9155 0 598 588 4 Cosine 0.9155 -12.038 -12 0.9155 0 598 589 4 Cosine 0.9155 -0.001 0 0.967 0 565 559 17 Cosine 0.967 0.0 0 0.9485 0 565 563 17 Cosine 0.9485 -0.001 0 0.9485 0 565 564 17 Cosine 0.9485 0.001 0 1.0 0 565 566 17 Cosine 1.0 0.001 0 0.8378 0 453 454 4 Cosine 0.8378 -14.017 -14 0.8756 0 453 425 4 Cosine 0.8756 -0.001 0 0.873 0 151 150 11 Cosine 0.873 -18.009 -18 0.9376 0 151 167 11 Cosine 0.9376 -126.042 -126 0.859 0 151 310 11 Cosine 0.859 -18.009 -18 0.8603 0 151 168 11 Cosine 0.8603 -115.062 -115 0.8507 0 151 309 11 Cosine 0.8507 -14.018 -14 0.8944 0 587 575 4 Cosine 0.8944 -42.013 -42 0.8947 0 587 521 4 Cosine 0.8947 -14.016 -14 0.8879 0 144 136 11 Cosine 0.8879 0.001 0 1.0 0 144 143 11 Cosine 1.0 0.0 0 0.8448 0 487 490 10 Cosine 0.8448 0.003 0 0.7979 0 487 488 10 Cosine 0.7979 -14.014 -14 0.8755 0 487 508 10 Cosine 0.8755 0.003 0 0.9395 0 400 399 23 Cosine 0.9395 -14.015 -14 0.9429 0 400 415 23 Cosine 0.9429 -26.016 -26 0.9712 0 308 299 76 Cosine 0.9712 -262.133 -262 0.7494 0 16 303 12 Cosine 0.7494 -14.017 -14 0.9395 0 11 33 7 Cosine 0.9395 -14.016 -14 0.9286 0 11 34 7 Cosine 0.9286 -14.016 -14 0.8906 0 11 36 7 Cosine 0.8906 -14.017 -14 0.9092 0 11 37 7 Cosine 0.9092 -18.011 -18 0.9172 0 78 63 3 Cosine 0.9172 -18.011 -18 0.8652 0 78 67 3 Cosine 0.8652 -33.984 -33 0.9426 0 78 89 3 Cosine 0.9426 -33.984 -33 0.9426 0 78 90 3 Cosine 0.9426 -0.491 0 0.8365 0 261 260 54 Cosine 0.8365 -0.002 0 1.0 0 261 263 54 Cosine 1.0 -43.988 -43 0.9277 0 382 359 25 Cosine 0.9277 -33.984 -33 0.9453 0 382 362 25 Cosine 0.9453 -33.985 -33 0.9453 0 382 363 25 Cosine 0.9453 -33.984 -33 0.9742 0 382 364 25 Cosine 0.9742 -33.983 -33 0.9803 0 382 365 25 Cosine 0.9803 -33.984 -33 0.9803 0 382 366 25 Cosine 0.9803 -27.995 -27 0.9264 0 382 369 25 Cosine 0.9264 -27.995 -27 0.9058 0 382 370 25 Cosine 0.9058 -2.009 -2 0.9765 0 623 622 34 Cosine 0.9765 0.001 0 1.0 0 497 494 4 Cosine 1.0 -14.015 -14 0.9077 0 295 277 11 Cosine 0.9077 -32.027 -32 0.9291 0 295 306 11 Cosine 0.9291 -14.037 -14 0.787 0 24 6 55 Cosine 0.787 0.001 0 0.7061 0 24 23 55 Cosine 0.7061 -70.042 -70 0.9298 0 100 153 11 Cosine 0.9298 -102.032 -102 0.897 0 100 233 11 Cosine 0.897 -14.016 -14 0.9322 0 100 105 11 Cosine 0.9322 -18.01 -18 0.8831 0 167 150 11 Cosine 0.8831 -14.016 -14 0.9157 0 167 228 11 Cosine 0.9157 -0.001 0 0.8836 0 167 168 11 Cosine 0.8836 -30.011 -30 0.8873 0 167 248 11 Cosine 0.8873 -44.026 -44 0.8573 0 167 276 11 Cosine 0.8573 -97.053 -97 0.8597 0 167 309 11 Cosine 0.8597 -108.033 -108 0.8698 0 167 310 11 Cosine 0.8698 -0.0 0 1.0 0 199 197 47 Cosine 1.0 -28.033 -28 0.7376 0 380 388 89 Cosine 0.7376 -28.064 -28 0.8527 0 224 273 11 Cosine 0.8527 -18.011 -18 0.9215 0 224 158 11 Cosine 0.9215 -0.001 0 1.0 0 224 225 11 Cosine 1.0 0.0 0 0.9415 0 523 528 4 Cosine 0.9415 0.0 0 0.9441 0 523 522 4 Cosine 0.9441 -0.001 0 0.9415 0 523 524 4 Cosine 0.9415 -0.0 0 0.9415 0 523 525 4 Cosine 0.9415 0.0 0 0.9415 0 523 526 4 Cosine 0.9415 0.001 0 0.9415 0 523 527 4 Cosine 0.9415 -14.016 -14 0.8841 0 483 459 4 Cosine 0.8841 -14.016 -14 0.9078 0 483 460 4 Cosine 0.9078 -102.091 -102 0.7648 0 7 93 45 Cosine 0.7648 -14.038 -14 0.9426 0 7 25 45 Cosine 0.9426 -58.064 -58 0.8266 0 7 77 45 Cosine 0.8266 -0.022 0 1.0 0 7 8 45 Cosine 1.0 -44.049 -44 0.9283 0 7 68 45 Cosine 0.9283 -14.017 -14 0.9507 0 7 21 45 Cosine 0.9507 -102.09 -102 0.737 0 7 92 45 Cosine 0.737 -14.017 -14 0.8879 0 143 136 11 Cosine 0.8879 -18.01 -18 0.9068 0 90 81 3 Cosine 0.9068 0.0 0 0.8504 0 90 88 3 Cosine 0.8504 0.0 0 1.0 0 90 89 3 Cosine 1.0 -0.567 0 0.9409 0 412 415 23 Cosine 0.9409 -0.984 0 0.8939 0 82 83 42 Cosine 0.8939 -821.435 -821 0.7751 0 272 625 57 Cosine 0.7751 -30.009 -30 0.8917 0 162 138 11 Cosine 0.8917 -46.022 -46 0.8547 0 162 275 11 Cosine 0.8547 -11.999 -11 0.8807 0 162 152 11 Cosine 0.8807 -0.0 0 0.9727 0 344 320 16 Cosine 0.9727 -0.0 0 1.0 0 344 345 16 Cosine 1.0 -0.001 0 1.0 0 344 343 16 Cosine 1.0 -0.002 0 0.9737 0 344 322 16 Cosine 0.9737 -0.002 0 0.9727 0 344 319 16 Cosine 0.9727 -0.001 0 1.0 0 344 340 16 Cosine 1.0 -0.001 0 1.0 0 344 341 16 Cosine 1.0 -28.035 -28 0.9307 0 519 578 4 Cosine 0.9307 0.001 0 0.9709 0 519 520 4 Cosine 0.9709 -16.034 -16 0.9672 0 519 491 4 Cosine 0.9672 -14.014 -14 0.9487 0 519 549 4 Cosine 0.9487 -2.017 -2 0.9492 0 401 395 23 Cosine 0.9492 -0.037 0 0.9373 0 401 397 23 Cosine 0.9373 -14.016 -14 0.9331 0 401 417 23 Cosine 0.9331 -15.995 -15 0.9285 0 283 257 11 Cosine 0.9285 -15.977 -15 0.9151 0 283 258 11 Cosine 0.9151 0.001 0 1.0 0 535 536 53 Cosine 1.0 -0.001 0 0.8054 0 452 451 2 Cosine 0.8054 -88.074 -88 0.964 0 21 93 45 Cosine 0.964 -0.021 0 0.9882 0 21 25 45 Cosine 0.9882 -44.047 -44 0.9718 0 21 77 45 Cosine 0.9718 -13.995 -13 0.9507 0 21 8 45 Cosine 0.9507 -30.032 -30 0.8095 0 21 68 45 Cosine 0.8095 -88.073 -88 0.9589 0 21 92 45 Cosine 0.9589 -132.1 -132 0.9159 0 21 131 45 Cosine 0.9159 -0.007 0 0.8784 0 522 521 4 Cosine 0.8784 -44.064 -44 0.954 0 472 395 23 Cosine 0.954 -42.085 -42 0.9494 0 472 397 23 Cosine 0.9494 -42.046 -42 0.9364 0 472 399 23 Cosine 0.9364 -56.064 -56 0.9532 0 472 386 23 Cosine 0.9532 -28.031 -28 0.9558 0 472 417 23 Cosine 0.9558 -14.053 -14 0.9572 0 472 437 23 Cosine 0.9572 0.003 0 0.9077 0 392 393 41 Cosine 0.9077 -14.014 -14 0.888 0 392 407 41 Cosine 0.888 -28.03 -28 0.9301 0 591 614 15 Cosine 0.9301 -42.045 -42 0.9696 0 591 618 15 Cosine 0.9696 -28.03 -28 0.8473 0 591 609 15 Cosine 0.8473 0.001 0 0.9559 0 591 592 15 Cosine 0.9559 -28.03 -28 0.9301 0 591 613 15 Cosine 0.9301 -28.036 -28 0.972 0 591 610 15 Cosine 0.972 -0.0 0 0.9035 0 67 63 3 Cosine 0.9035 -55.04 -55 0.851 0 145 267 11 Cosine 0.851 -15.994 -15 0.8824 0 145 158 11 Cosine 0.8824 -16.028 -16 0.9565 0 145 160 11 Cosine 0.9565 -59.034 -59 0.8524 0 145 271 11 Cosine 0.8524 -28.032 -28 0.9386 0 160 138 11 Cosine 0.9386 -14.016 -14 0.9356 0 160 150 11 Cosine 0.9356 -18.009 -18 0.9119 0 160 228 11 Cosine 0.9119 -47.999 -47 0.9238 0 160 275 11 Cosine 0.9238 -33.985 -33 0.9076 0 160 136 11 Cosine 0.9076 -42.047 -42 0.9377 0 160 270 11 Cosine 0.9377 -30.01 -30 0.9347 0 160 238 11 Cosine 0.9347 -18.011 -18 0.8643 0 88 81 3 Cosine 0.8643 -0.0 0 0.8504 0 88 89 3 Cosine 0.8504 -0.001 0 1.0 0 320 319 16 Cosine 1.0 0.001 0 0.9727 0 320 340 16 Cosine 0.9727 0.001 0 0.9727 0 320 341 16 Cosine 0.9727 0.001 0 0.9727 0 320 343 16 Cosine 0.9727 -0.0 0 0.9727 0 320 345 16 Cosine 0.9727 -14.017 -14 0.9239 0 289 273 11 Cosine 0.9239 -18.011 -18 0.8869 0 289 270 11 Cosine 0.8869 -0.0 0 1.0 0 331 329 33 Cosine 1.0 -0.001 0 1.0 0 331 330 33 Cosine 1.0 -42.082 -42 0.9151 0 270 158 11 Cosine 0.9151 -76.032 -76 0.8965 0 270 136 11 Cosine 0.8965 -12.038 -12 0.9102 0 270 238 11 Cosine 0.9102 -0.001 0 1.0 0 201 200 51 Cosine 1.0 -0.983 0 0.9595 0 75 76 58 Cosine 0.9595 -18.011 -18 0.8961 0 29 54 65 Cosine 0.8961 -0.024 0 0.9829 0 29 27 65 Cosine 0.9829 -0.0 0 0.9789 0 29 28 65 Cosine 0.9789 -0.001 0 0.9496 0 29 30 65 Cosine 0.9496 -1.111 -1 0.7857 0 29 38 65 Cosine 0.7857 -14.017 -14 0.8868 0 29 51 65 Cosine 0.8868 -18.012 -18 0.8885 0 29 55 65 Cosine 0.8885 -14.019 -14 0.7978 0 589 575 4 Cosine 0.7978 -42.014 -42 0.8529 0 589 521 4 Cosine 0.8529 0.0 0 1.0 0 589 588 4 Cosine 1.0 -29.015 -29 0.8027 0 589 544 4 Cosine 0.8027 -28.027 -28 0.8182 0 473 521 4 Cosine 0.8182 -42.05 -42 0.7964 0 473 552 4 Cosine 0.7964 -14.022 -14 0.8511 0 521 552 4 Cosine 0.8511 -42.014 -42 0.8529 0 521 588 4 Cosine 0.8529 -14.016 -14 0.9231 0 609 617 15 Cosine 0.9231 -28.031 -28 0.8541 0 609 592 15 Cosine 0.8541 -28.033 -28 0.9241 0 525 578 4 Cosine 0.9241 0.0 0 1.0 0 525 528 4 Cosine 1.0 0.001 0 1.0 0 525 527 4 Cosine 1.0 0.0 0 1.0 0 525 524 4 Cosine 1.0 0.001 0 1.0 0 525 526 4 Cosine 1.0 0.0 0 1.0 0 173 181 32 Cosine 1.0 0.0 0 1.0 0 173 174 32 Cosine 1.0 0.001 0 1.0 0 173 178 32 Cosine 1.0 0.001 0 1.0 0 173 179 32 Cosine 1.0 0.001 0 1.0 0 173 182 32 Cosine 1.0 -0.0 0 1.0 0 173 172 32 Cosine 1.0 0.0 0 1.0 0 173 176 32 Cosine 1.0 -14.016 -14 0.9836 0 594 579 36 Cosine 0.9836 -0.0 0 1.0 0 594 595 36 Cosine 1.0 -14.016 -14 0.9413 0 594 607 36 Cosine 0.9413 -16.031 -16 0.8505 0 594 608 36 Cosine 0.8505 0.0 0 1.0 0 182 181 32 Cosine 1.0 0.001 0 1.0 0 182 174 32 Cosine 1.0 -0.0 0 1.0 0 182 178 32 Cosine 1.0 -0.0 0 1.0 0 182 179 32 Cosine 1.0 0.001 0 1.0 0 182 172 32 Cosine 1.0 0.001 0 1.0 0 182 176 32 Cosine 1.0 -28.032 -28 0.9196 0 273 228 11 Cosine 0.9196 -28.064 -28 0.8527 0 273 225 11 Cosine 0.8527 -0.002 0 0.9727 0 345 319 16 Cosine 0.9727 -0.002 0 0.9737 0 345 322 16 Cosine 0.9737 -0.001 0 1.0 0 345 340 16 Cosine 1.0 -0.002 0 1.0 0 345 341 16 Cosine 1.0 -0.001 0 1.0 0 345 343 16 Cosine 1.0 -262.131 -262 0.7859 0 250 531 12 Cosine 0.7859 -0.0 0 1.0 0 374 375 84 Cosine 1.0 0.0 0 1.0 0 374 376 84 Cosine 1.0 -44.027 -44 0.9366 0 131 93 45 Cosine 0.9366 -132.079 -132 0.9149 0 131 25 45 Cosine 0.9149 -88.053 -88 0.938 0 131 77 45 Cosine 0.938 -44.027 -44 0.9415 0 131 92 45 Cosine 0.9415 -33.984 -33 0.9612 0 62 81 3 Cosine 0.9612 0.001 0 0.9722 0 62 64 3 Cosine 0.9722 -48.0 -48 0.954 0 62 86 3 Cosine 0.954 -46.023 -46 0.9387 0 258 153 11 Cosine 0.9387 -13.998 -13 0.9523 0 258 279 11 Cosine 0.9523 -0.018 0 0.957 0 258 256 11 Cosine 0.957 -102.049 -102 0.9328 0 258 105 11 Cosine 0.9328 -18.009 -18 0.9482 0 258 285 11 Cosine 0.9482 -0.017 0 0.9561 0 258 257 11 Cosine 0.9561 0.0 0 1.0 0 329 330 33 Cosine 1.0 -64.032 -64 0.9597 0 285 153 11 Cosine 0.9597 -105.058 -105 0.9282 0 285 129 11 Cosine 0.9282 -4.011 -4 0.9628 0 285 279 11 Cosine 0.9628 -18.026 -18 0.9603 0 285 256 11 Cosine 0.9603 -120.058 -120 0.946 0 285 105 11 Cosine 0.946 -119.075 -119 0.9411 0 285 106 11 Cosine 0.9411 -18.026 -18 0.9462 0 285 257 11 Cosine 0.9462 -0.009 0 1.0 0 583 582 4 Cosine 1.0 -12.036 -12 0.9478 0 583 577 4 Cosine 0.9478 -14.016 -14 0.9348 0 583 571 4 Cosine 0.9348 -26.016 -26 0.9276 0 583 549 4 Cosine 0.9276 -0.0 0 1.0 0 583 584 4 Cosine 1.0 -0.951 0 0.926 0 583 586 4 Cosine 0.926 -28.029 -28 0.8672 0 229 152 11 Cosine 0.8672 -15.997 -15 0.849 0 229 248 11 Cosine 0.849 -16.983 -16 0.8692 0 229 251 11 Cosine 0.8692 -30.012 -30 0.8602 0 229 276 11 Cosine 0.8602 -14.015 -14 0.9429 0 12 41 19 Cosine 0.9429 -44.026 -44 0.9052 0 12 72 19 Cosine 0.9052 -14.017 -14 0.8813 0 482 460 4 Cosine 0.8813 -14.017 -14 0.8475 0 482 459 4 Cosine 0.8475 -0.002 0 0.9588 0 563 559 17 Cosine 0.9588 0.0 0 0.9604 0 563 558 17 Cosine 0.9604 0.001 0 1.0 0 563 564 17 Cosine 1.0 0.001 0 0.9485 0 563 566 17 Cosine 0.9485 0.0 0 0.84 0 510 509 18 Cosine 0.84 -28.031 -28 0.7572 0 510 554 18 Cosine 0.7572 -28.032 -28 0.7572 0 510 555 18 Cosine 0.7572 -0.002 0 0.902 0 355 358 25 Cosine 0.902 -0.004 0 0.9704 0 355 359 25 Cosine 0.9704 0.0 0 0.902 0 355 353 25 Cosine 0.902 -0.001 0 1.0 0 355 356 25 Cosine 1.0 -15.996 -15 0.9678 0 355 370 25 Cosine 0.9678 -15.997 -15 0.9676 0 355 369 25 Cosine 0.9676 -28.036 -28 0.948 0 601 573 4 Cosine 0.948 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0.9225 0 517 586 4 Cosine 0.9225 -14.015 -14 0.969 0 517 491 4 Cosine 0.969 -11.995 -11 0.9392 0 517 493 4 Cosine 0.9392 -33.985 -33 0.9572 0 64 81 3 Cosine 0.9572 0.001 0 0.983 0 364 366 25 Cosine 0.983 -0.001 0 0.9537 0 364 363 25 Cosine 0.9537 -0.0 0 0.9537 0 364 362 25 Cosine 0.9537 -0.001 0 0.983 0 364 365 25 Cosine 0.983 -26.967 -26 0.9321 0 573 520 4 Cosine 0.9321 -43.0 -43 0.9259 0 573 491 4 Cosine 0.9259 -0.953 0 0.9586 0 573 571 4 Cosine 0.9586 -14.015 -14 0.9594 0 573 586 4 Cosine 0.9594 0.0 0 1.0 0 185 187 31 Cosine 1.0 0.001 0 0.9897 0 185 189 31 Cosine 0.9897 0.0 0 1.0 0 192 191 20 Cosine 1.0 -0.0 0 1.0 0 192 193 20 Cosine 1.0 0.001 0 0.9383 0 57 56 42 Cosine 0.9383 0.0 0 1.0 0 176 181 32 Cosine 1.0 -0.0 0 1.0 0 176 174 32 Cosine 1.0 0.001 0 1.0 0 176 178 32 Cosine 1.0 0.001 0 1.0 0 176 179 32 Cosine 1.0 -0.0 0 1.0 0 176 172 32 Cosine 1.0 -14.016 -14 0.9075 0 607 615 36 Cosine 0.9075 -28.032 -28 0.9406 0 607 579 36 Cosine 0.9406 -14.015 -14 0.9413 0 607 595 36 Cosine 0.9413 -41.024 -41 0.8104 0 607 620 36 Cosine 0.8104 -18.01 -18 0.8831 0 30 54 65 Cosine 0.8831 -0.025 0 0.9425 0 30 27 65 Cosine 0.9425 -0.001 0 0.9469 0 30 28 65 Cosine 0.9469 -1.11 -1 0.7532 0 30 38 65 Cosine 0.7532 -14.016 -14 0.8554 0 30 51 65 Cosine 0.8554 -18.011 -18 0.8751 0 30 55 65 Cosine 0.8751 0.0 0 1.0 0 181 172 32 Cosine 1.0 0.0 0 1.0 0 181 174 32 Cosine 1.0 -0.001 0 1.0 0 181 178 32 Cosine 1.0 -0.001 0 1.0 0 181 179 32 Cosine 1.0 -18.01 -18 0.9416 0 106 96 11 Cosine 0.9416 -55.043 -55 0.9418 0 106 153 11 Cosine 0.9418 -18.01 -18 0.9423 0 106 98 11 Cosine 0.9423 -14.017 -14 0.9828 0 106 129 11 Cosine 0.9828 -101.049 -101 0.9439 0 106 256 11 Cosine 0.9439 -18.01 -18 0.9513 0 106 99 11 Cosine 0.9513 -18.01 -18 0.9516 0 106 97 11 Cosine 0.9516 -14.015 -14 0.9509 0 618 614 15 Cosine 0.9509 -42.046 -42 0.9357 0 618 592 15 Cosine 0.9357 -14.009 -14 0.9703 0 618 610 15 Cosine 0.9703 -14.015 -14 0.9509 0 618 613 15 Cosine 0.9509 -40.032 -40 0.8424 0 387 436 26 Cosine 0.8424 -0.001 0 1.0 0 115 113 13 Cosine 1.0 0.001 0 0.9531 0 115 119 13 Cosine 0.9531 0.0 0 0.9531 0 115 117 13 Cosine 0.9531 -0.003 0 1.0 0 539 537 35 Cosine 1.0 0.003 0 1.0 0 539 540 35 Cosine 1.0 -0.001 0 1.0 0 4 3 28 Cosine 1.0 -46.042 -46 0.9151 0 277 306 11 Cosine 0.9151 -30.044 -30 0.8534 0 238 158 11 Cosine 0.8534 -63.994 -63 0.8903 0 238 136 11 Cosine 0.8903 -211.097 -211 0.8242 0 531 303 12 Cosine 0.8242 -18.012 -18 0.948 0 531 503 12 Cosine 0.948 -18.012 -18 0.948 0 531 502 12 Cosine 0.948 -0.0 0 1.0 0 315 314 14 Cosine 1.0 -0.001 0 1.0 0 315 316 14 Cosine 1.0 -0.0 0 0.8823 0 315 317 14 Cosine 0.8823 0.001 0 0.8823 0 315 318 14 Cosine 0.8823 -14.015 -14 0.9361 0 458 481 23 Cosine 0.9361 0.0 0 0.9112 0 458 457 23 Cosine 0.9112 0.003 0 1.0 0 514 513 49 Cosine 1.0 -14.016 -14 0.8735 0 449 475 2 Cosine 0.8735 0.0 0 0.8552 0 449 450 2 Cosine 0.8552 -28.034 -28 0.9241 0 527 578 4 Cosine 0.9241 -0.0 0 1.0 0 527 528 4 Cosine 1.0 0.001 0 1.0 0 527 524 4 Cosine 1.0 0.0 0 1.0 0 527 526 4 Cosine 1.0 -193.085 -193 0.8978 0 503 303 12 Cosine 0.8978 -461.226 -461 0.7561 0 503 13 12 Cosine 0.7561 0.0 0 1.0 0 503 502 12 Cosine 1.0 0.0 0 1.0 0 375 376 84 Cosine 1.0 -13.979 -13 0.9537 0 397 386 23 Cosine 0.9537 -0.039 0 0.9552 0 397 399 23 Cosine 0.9552 -14.053 -14 0.9477 0 397 417 23 Cosine 0.9477 -28.031 -28 0.965 0 397 437 23 Cosine 0.965 -268.141 -268 0.8264 0 13 303 12 Cosine 0.8264 -461.226 -461 0.7561 0 13 502 12 Cosine 0.7561 -0.001 0 1.0 0 124 123 56 Cosine 1.0 0.0 0 1.0 0 124 122 56 Cosine 1.0 -0.0 0 0.9588 0 564 559 17 Cosine 0.9588 0.001 0 0.9604 0 564 558 17 Cosine 0.9604 -0.0 0 0.9485 0 564 566 17 Cosine 0.9485 -46.005 -46 0.9481 0 153 256 11 Cosine 0.9481 -46.006 -46 0.9399 0 153 257 11 Cosine 0.9399 -71.037 -71 0.9238 0 516 396 11 Cosine 0.9238 -33.984 -33 0.9434 0 381 362 25 Cosine 0.9434 -33.985 -33 0.9434 0 381 363 25 Cosine 0.9434 -26.007 -26 0.9276 0 582 549 4 Cosine 0.9276 -14.007 -14 0.9348 0 582 571 4 Cosine 0.9348 -12.028 -12 0.9478 0 582 577 4 Cosine 0.9478 -0.009 0 1.0 0 582 584 4 Cosine 1.0 -0.96 0 0.926 0 582 586 4 Cosine 0.926 -0.502 0 0.9225 0 108 107 1 Cosine 0.9225 -0.607 0 0.903 0 108 109 1 Cosine 0.903 -18.01 -18 0.9175 0 138 152 11 Cosine 0.9175 -27.998 -27 0.8662 0 138 158 11 Cosine 0.8662 -76.031 -76 0.9149 0 138 275 11 Cosine 0.9149 -0.001 0 0.967 0 566 559 17 Cosine 0.967 -0.0 0 1.0 0 191 193 20 Cosine 1.0 -18.011 -18 0.8497 0 34 10 7 Cosine 0.8497 -0.0 0 0.9567 0 34 37 7 Cosine 0.9567 0.001 0 0.9726 0 34 33 7 Cosine 0.9726 -0.0 0 0.9531 0 113 117 13 Cosine 0.9531 0.0 0 0.9531 0 113 119 13 Cosine 0.9531 -104.099 -104 0.7611 0 109 46 1 Cosine 0.7611 -1.109 -1 0.7817 0 109 107 1 Cosine 0.7817 -14.041 -14 0.8895 0 51 27 65 Cosine 0.8895 -14.018 -14 0.883 0 51 28 65 Cosine 0.883 -14.015 -14 0.8872 0 457 481 23 Cosine 0.8872 -33.985 -33 0.9458 0 63 81 3 Cosine 0.9458 0.0 0 1.0 0 174 172 32 Cosine 1.0 0.001 0 1.0 0 174 178 32 Cosine 1.0 0.001 0 1.0 0 174 179 32 Cosine 1.0 -3.991 -3 0.8548 0 429 416 22 Cosine 0.8548 -14.013 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Cosine 0.9533 -10.002 -10 0.9658 0 435 455 22 Cosine 0.9658 -0.492 0 0.8365 0 263 260 54 Cosine 0.8365 -18.012 -18 0.8974 0 28 54 65 Cosine 0.8974 -0.023 0 0.9744 0 28 27 65 Cosine 0.9744 -18.012 -18 0.8885 0 28 55 65 Cosine 0.8885 -1.111 -1 0.7801 0 28 38 65 Cosine 0.7801 0.002 0 1.0 0 122 123 56 Cosine 1.0 -0.0 0 0.9978 0 322 328 16 Cosine 0.9978 -0.001 0 0.9737 0 322 343 16 Cosine 0.9737 -0.001 0 0.9978 0 322 324 16 Cosine 0.9978 -0.0 0 0.9978 0 322 325 16 Cosine 0.9978 -0.001 0 0.9978 0 322 326 16 Cosine 0.9978 -0.001 0 0.9978 0 322 327 16 Cosine 0.9978 -0.001 0 0.9737 0 322 340 16 Cosine 0.9737 -0.001 0 0.9737 0 322 341 16 Cosine 0.9737 -18.012 -18 0.844 0 33 10 7 Cosine 0.844 0.0 0 0.952 0 33 37 7 Cosine 0.952 -114.064 -114 0.9455 0 351 455 22 Cosine 0.9455 -27.008 -27 0.8731 0 615 620 36 Cosine 0.8731 -0.0 0 1.0 0 43 45 40 Cosine 1.0 -16.033 -16 0.9768 0 491 520 4 Cosine 0.9768 -42.047 -42 0.9356 0 491 571 4 Cosine 0.9356 -0.0 0 1.0 0 613 614 15 Cosine 1.0 -14.016 -14 0.9409 0 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8 Cosine 1.0 -0.001 0 1.0 0 213 203 8 Cosine 1.0 -0.001 0 1.0 0 213 204 8 Cosine 1.0 -0.001 0 1.0 0 213 205 8 Cosine 1.0 -0.001 0 1.0 0 213 208 8 Cosine 1.0 -0.0 0 1.0 0 213 209 8 Cosine 1.0 0.0 0 1.0 0 213 211 8 Cosine 1.0 0.0 0 1.0 0 213 212 8 Cosine 1.0 -0.0 0 1.0 0 202 203 8 Cosine 1.0 -0.001 0 1.0 0 202 204 8 Cosine 1.0 -0.0 0 1.0 0 202 205 8 Cosine 1.0 -0.001 0 1.0 0 202 208 8 Cosine 1.0 -0.001 0 1.0 0 202 209 8 Cosine 1.0 -0.002 0 1.0 0 202 211 8 Cosine 1.0 -0.002 0 1.0 0 202 212 8 Cosine 1.0 -0.0 0 1.0 0 341 343 16 Cosine 1.0 -0.0 0 0.9727 0 341 319 16 Cosine 0.9727 0.0 0 1.0 0 341 340 16 Cosine 1.0 -193.086 -193 0.8978 0 502 303 12 Cosine 0.8978 -14.015 -14 0.8627 0 456 479 52 Cosine 0.8627 -44.026 -44 0.9673 0 77 93 45 Cosine 0.9673 -14.019 -14 0.7978 0 588 575 4 Cosine 0.7978 -29.016 -29 0.8027 0 588 544 4 Cosine 0.8027 0.0 0 1.0 0 339 336 9 Cosine 1.0 -0.0 0 1.0 0 339 334 9 Cosine 1.0 -0.002 0 1.0 0 212 203 8 Cosine 1.0 -0.001 0 1.0 0 212 204 8 Cosine 1.0 -0.002 0 1.0 0 212 205 8 Cosine 1.0 -0.001 0 1.0 0 212 208 8 Cosine 1.0 -0.001 0 1.0 0 212 209 8 Cosine 1.0 0.0 0 1.0 0 212 211 8 Cosine 1.0 -0.001 0 1.0 0 209 203 8 Cosine 1.0 -0.0 0 1.0 0 209 204 8 Cosine 1.0 -0.001 0 1.0 0 209 205 8 Cosine 1.0 -0.0 0 1.0 0 209 208 8 Cosine 1.0 -0.001 0 1.0 0 209 211 8 Cosine 1.0 -13.979 -13 0.952 0 577 549 4 Cosine 0.952 -12.036 -12 0.9478 0 577 584 4 Cosine 0.9478 -28.033 -28 0.9241 0 578 524 4 Cosine 0.9241 -28.034 -28 0.9241 0 578 526 4 Cosine 0.9241 -28.034 -28 0.9241 0 578 528 4 Cosine 0.9241 -0.0 0 0.9376 0 302 300 11 Cosine 0.9376 0.0 0 1.0 0 326 328 16 Cosine 1.0 0.0 0 1.0 0 326 324 16 Cosine 1.0 -0.0 0 1.0 0 326 325 16 Cosine 1.0 -0.0 0 1.0 0 326 327 16 Cosine 1.0 -0.0 0 0.8823 0 317 314 14 Cosine 0.8823 0.001 0 0.8823 0 317 316 14 Cosine 0.8823 0.001 0 1.0 0 317 318 14 Cosine 1.0 -14.014 -14 0.9322 0 417 399 23 Cosine 0.9322 -28.032 -28 0.9449 0 417 386 23 Cosine 0.9449 -13.978 -13 0.9377 0 417 437 23 Cosine 0.9377 -14.018 -14 0.9442 0 386 399 23 Cosine 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4 0.8841 -14.016 460 483 4 0.9078 -14.016 474 499 4 0.9302 -14.016 493 499 4 0.957 0.003 499 500 4 1.0 -0.002 499 517 4 0.9504 -11.998 499 524 4 0.9322 -14.019 499 525 4 0.9322 -14.018 499 526 4 0.9322 -14.018 499 527 4 0.9322 -14.017 499 549 4 0.9504 -28.030 522 523 4 0.9441 0.000 523 524 4 0.9415 -0.001 523 525 4 0.9415 -0.000 523 526 4 0.9415 0.000 523 527 4 0.9415 0.001 523 590 4 0.9131 -42.007 545 601 4 0.8768 -42.008 573 601 4 0.948 -28.036 574 601 4 0.939 -28.037 586 601 4 0.9556 -14.022 426 453 4 0.8489 -14.018 426 454 4 0.8706 -14.017 426 459 4 0.8347 -15.995 426 460 4 0.8095 -15.995 459 460 4 0.8966 0.000 460 482 4 0.8813 -14.017 500 527 4 0.9322 -14.015 524 527 4 1.0 0.001 525 527 4 1.0 0.001 526 527 4 1.0 0.000 527 545 4 0.9293 -12.994 527 590 4 0.9265 -42.008 491 570 4 0.9356 -42.034 547 570 4 0.9345 -12.024 570 571 4 1.0 -0.013 570 572 4 1.0 -0.011 570 573 4 0.9586 -0.965 570 574 4 0.9601 -0.965 570 583 4 0.9348 -14.029 570 584 4 0.9348 -14.029 570 585 4 0.9348 -14.030 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0.8117 -14.016 543 544 4 0.83 0.001 543 589 4 0.8243 -29.014 544 589 4 0.8027 -29.015 524 525 4 1.0 0.000 524 526 4 1.0 0.001 524 545 4 0.9293 -12.993 524 590 4 0.9265 -42.007 545 599 4 0.9306 -41.051 494 498 4 1.0 0.001 496 498 4 1.0 0.002 498 529 4 0.9272 -14.015 522 590 4 0.8919 -42.007 525 590 4 0.9265 -42.007 526 590 4 0.9265 -42.008 491 571 4 0.9356 -42.047 547 571 4 0.9345 -12.037 571 574 4 0.9601 -0.952 571 583 4 0.9348 -14.016 571 584 4 0.9348 -14.016 571 585 4 0.9348 -14.017 424 427 4 0.7942 -0.921 427 453 4 0.855 -14.017 427 454 4 0.8483 -14.016 491 574 4 0.9313 -43.000 574 586 4 0.9626 -14.015 525 526 4 1.0 0.001 526 545 4 0.9293 -12.994 549 583 4 0.9276 -26.016 576 583 4 0.9266 -12.037 583 584 4 1.0 -0.000 583 585 4 1.0 -0.001 583 586 4 0.926 -0.951 517 549 4 0.9558 -16.032 549 576 4 0.9401 -13.979 549 584 4 0.9276 -26.016 549 585 4 0.9276 -26.017 549 586 4 0.9453 -26.967 546 547 4 0.9861 0.002 491 492 4 0.981 -0.001 492 517 4 0.9619 -14.014 517 586 4 0.9225 -42.999 584 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205 211 8 1.0 -0.002 203 206 8 1.0 -0.000 203 211 8 1.0 -0.002 206 211 8 1.0 -0.002 334 336 9 1.0 -0.000 335 336 9 1.0 -0.000 336 337 9 1.0 -0.001 336 338 9 1.0 -0.001 336 339 9 1.0 0.000 334 335 9 1.0 0.000 334 337 9 1.0 -0.001 334 338 9 1.0 -0.001 334 339 9 1.0 -0.000 335 338 9 1.0 -0.001 337 338 9 1.0 0.000 338 339 9 1.0 0.001 335 337 9 1.0 -0.001 335 339 9 1.0 -0.000 337 339 9 1.0 0.001 433 490 10 0.7116 -31.937 487 490 10 0.8448 0.000 488 490 10 0.7899 -0.003 489 490 10 1.0 -0.000 490 507 10 0.8435 -14.015 490 508 10 0.8385 -14.014 487 488 10 0.7979 0.003 487 489 10 0.8448 0.000 487 507 10 0.8303 -14.015 487 508 10 0.8755 -14.014 467 488 10 0.7574 -14.015 433 507 10 0.7774 -45.952 488 507 10 0.718 -14.017 489 507 10 0.8435 -14.015 507 508 10 0.8343 0.000 488 489 10 0.7899 -0.002 488 508 10 0.7958 -14.017 433 489 10 0.7116 -31.937 489 508 10 0.8385 -14.015 96 97 11 0.9835 0.001 96 98 11 0.9719 0.000 96 99 11 0.9762 0.000 96 106 11 0.9416 -18.010 96 129 11 0.9339 -32.027 96 130 11 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0.9565 -16.028 145 271 11 0.8524 -59.034 136 144 11 0.8879 -14.016 143 144 11 1.0 0.001 100 153 11 0.9298 -70.042 105 153 11 0.9541 -56.026 106 153 11 0.9418 -55.043 153 256 11 0.9481 -46.005 153 257 11 0.9399 -46.006 153 258 11 0.9387 -46.023 153 279 11 0.9347 -60.021 153 285 11 0.9597 -64.032 253 258 11 0.9223 -1.000 253 516 11 0.879 -254.125 152 228 11 0.9334 -28.031 160 228 11 0.9119 -18.009 165 228 11 0.9661 -14.016 166 228 11 0.9661 -14.016 167 228 11 0.9157 -14.016 168 228 11 0.9184 -14.015 221 228 11 0.9392 -1.008 228 248 11 0.933 -15.995 228 273 11 0.9196 -28.032 222 301 11 0.8734 -58.989 300 301 11 1.0 -0.000 301 302 11 0.9376 0.000 396 516 11 0.9238 -71.037 277 295 11 0.9077 -14.015 295 306 11 0.9291 -32.027 295 307 11 0.9075 -32.028 100 233 11 0.897 -102.032 160 275 11 0.9238 -47.999 162 275 11 0.8547 -46.022 224 273 11 0.8527 -28.064 225 273 11 0.8527 -28.064 273 289 11 0.9239 -14.017 218 293 11 0.8542 -45.058 292 293 11 1.0 0.001 311 312 11 0.9544 0.000 97 98 11 0.9765 -0.001 98 99 11 0.9749 0.000 98 106 11 0.9423 -18.010 98 129 11 0.9353 -32.027 98 130 11 0.9353 -32.027 300 302 11 0.9376 -0.000 152 165 11 0.9702 -14.015 162 165 11 0.8741 -2.016 165 166 11 1.0 -0.000 151 167 11 0.9376 -18.009 167 168 11 0.8836 -0.001 167 248 11 0.8873 -30.011 167 276 11 0.8573 -44.026 167 309 11 0.8597 -97.053 167 310 11 0.8698 -108.033 226 290 11 0.8822 -43.037 271 290 11 0.9119 -18.010 218 292 11 0.8542 -45.058 168 276 11 0.9019 -44.026 226 276 11 0.8511 -30.042 248 276 11 0.943 -14.016 136 143 11 0.8879 -14.017 218 283 11 0.874 -36.020 257 283 11 0.9285 -15.995 258 283 11 0.9151 -15.977 222 300 11 0.8734 -58.989 236 238 11 0.8776 -1.979 236 270 11 0.8844 -14.016 227 256 11 0.9292 -18.010 227 258 11 0.9172 -18.028 97 129 11 0.9354 -32.027 99 129 11 0.9361 -32.027 105 129 11 0.9451 -15.000 106 129 11 0.9828 -14.017 129 130 11 1.0 -0.001 129 256 11 0.9265 -87.032 129 266 11 0.9267 -89.061 129 285 11 0.9282 -105.058 241 274 11 0.8506 -14.032 241 289 11 0.8671 -28.033 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0.5547 1 568 612 -46.005 0.000 0.7913 0.7244 1 568 613 -46.005 0.000 0.8099 0.7857 1 568 614 -46.006 0.000 0.8099 0.7857 1 568 619 -68.036 0.000 0.7700 0.6162 1 569 576 -2.999 0.000 0.8339 0.5819 1 569 577 -2.999 0.000 0.8517 0.6383 1 569 580 -14.016 0.000 0.7596 0.5638 1 569 581 -14.015 0.000 0.9281 0.7773 1 569 582 -15.027 0.000 0.8449 0.6504 1 569 583 -15.036 0.000 0.8449 0.6504 1 569 584 -15.036 0.000 0.8449 0.6504 1 569 585 -15.037 0.000 0.8449 0.6504 1 569 586 -15.987 0.000 0.8562 0.5577 1 569 594 -27.011 0.000 0.7262 0.6746 1 569 595 -27.011 0.000 0.7262 0.6746 1 569 605 -41.025 0.000 0.9121 0.8680 1 569 608 -43.042 0.000 0.7320 0.6035 1 569 610 -46.011 0.000 0.8106 0.5680 1 569 611 -46.004 0.000 0.8106 0.5680 1 569 612 -46.004 0.000 0.7960 0.7244 1 569 613 -46.005 0.000 0.8260 0.8132 1 569 614 -46.005 0.000 0.8260 0.8132 1 569 619 -68.035 0.000 0.7914 0.6598 1 570 571 -0.013 0.000 1.0000 1.0000 1 570 572 -0.011 0.000 1.0000 1.0000 1 570 573 -0.965 0.000 0.9586 0.8988 1 570 574 -0.965 0.000 0.9601 0.9017 1 570 582 -14.020 0.000 0.9348 0.7316 1 570 583 -14.029 0.000 0.9348 0.7316 1 570 584 -14.029 0.000 0.9348 0.7316 1 570 585 -14.030 0.000 0.9348 0.7316 1 570 593 -26.004 0.000 0.7358 0.6780 1 570 599 -28.045 0.000 0.9077 0.7089 1 571 572 0.002 0.000 1.0000 1.0000 1 571 573 -0.953 0.000 0.9586 0.8988 1 571 574 -0.952 0.000 0.9601 0.9017 1 571 582 -14.007 0.000 0.9348 0.7316 1 571 583 -14.016 0.000 0.9348 0.7316 1 571 584 -14.016 0.000 0.9348 0.7316 1 571 585 -14.017 0.000 0.9348 0.7316 1 571 593 -25.991 0.000 0.7358 0.6780 1 571 599 -28.032 0.000 0.9025 0.6976 1 572 573 -0.954 0.000 0.9586 0.8988 1 572 574 -0.954 0.000 0.9601 0.9017 1 572 582 -14.009 0.000 0.9348 0.7316 1 572 583 -14.018 0.000 0.9348 0.7316 1 572 584 -14.018 0.000 0.9348 0.7316 1 572 585 -14.019 0.000 0.9348 0.7316 1 572 593 -25.993 0.000 0.7358 0.6780 1 572 599 -28.034 0.000 0.9025 0.6976 1 573 574 0.000 0.000 0.9820 0.9494 1 573 586 -14.015 0.000 0.9594 0.8353 1 573 593 -25.039 0.000 0.7753 0.6309 1 573 601 -28.036 0.000 0.9480 0.8672 1 574 586 -14.015 0.000 0.9626 0.8385 1 574 593 -25.039 0.000 0.7679 0.6280 1 574 601 -28.037 0.000 0.9390 0.8341 1 575 587 -14.018 0.000 0.8944 0.7832 1 575 588 -14.019 0.000 0.7978 0.7269 1 575 589 -14.019 0.000 0.7978 0.7269 1 575 590 -14.019 0.000 0.7442 0.6373 1 576 577 -0.000 0.000 0.9513 0.8660 1 576 582 -12.028 0.000 0.9266 0.7951 1 576 583 -12.037 0.000 0.9266 0.7951 1 576 584 -12.037 0.000 0.9266 0.7951 1 576 585 -12.038 0.000 0.9266 0.7951 1 576 586 -12.988 0.000 0.9125 0.7998 1 576 587 -14.015 0.000 0.7888 0.6915 1 576 588 -14.016 0.000 0.9066 0.8060 1 576 589 -14.016 0.000 0.9066 0.8060 1 576 590 -14.016 0.000 0.9063 0.7824 1 576 602 -28.032 0.000 0.9072 0.6473 1 576 603 -28.032 0.000 0.9072 0.6473 1 577 582 -12.028 0.000 0.9478 0.8722 1 577 583 -12.036 0.000 0.9478 0.8722 1 577 584 -12.036 0.000 0.9478 0.8722 1 577 585 -12.037 0.000 0.9478 0.8722 1 577 586 -12.987 0.000 0.9197 0.7775 1 577 587 -14.015 0.000 0.7866 0.6630 1 577 588 -14.016 0.000 0.9014 0.7877 1 577 589 -14.016 0.000 0.9014 0.7877 1 577 590 -14.016 0.000 0.9342 0.8651 1 577 602 -28.031 0.000 0.9227 0.7034 1 577 603 -28.032 0.000 0.9227 0.7034 1 577 610 -43.011 0.000 0.7001 0.7744 1 577 611 -43.005 0.000 0.7001 0.7744 1 578 581 -10.974 0.000 0.8068 0.7708 1 578 587 -13.973 0.000 0.7454 0.6179 1 578 588 -13.974 0.000 0.8248 0.7107 1 578 589 -13.974 0.000 0.8248 0.7107 1 578 590 -13.974 0.000 0.8961 0.8310 1 578 599 -26.011 0.000 0.9253 0.8486 1 578 601 -26.968 0.000 0.8632 0.6603 1 579 593 -14.016 0.000 0.8996 0.8546 1 579 594 -14.016 0.000 0.9836 0.9214 1 579 595 -14.017 0.000 0.9836 0.9214 1 579 596 -16.031 0.000 0.8119 0.6834 1 579 597 -16.031 0.000 0.8128 0.7173 1 579 606 -28.032 0.000 0.7347 0.5254 1 579 607 -28.032 0.000 0.9406 0.8829 1 580 598 -15.038 0.000 0.7633 0.6034 1 580 606 -27.011 0.000 0.8476 0.8401 1 580 616 -46.005 0.000 0.7334 0.6507 1 580 617 -46.005 0.000 0.7396 0.7012 1 581 590 -3.000 0.000 0.7716 0.7183 1 581 599 -15.037 0.000 0.7908 0.7269 1 581 601 -15.994 0.000 0.8112 0.5767 1 581 607 -27.012 0.000 0.8513 0.8060 1 581 615 -41.027 0.000 0.9136 0.7486 1 581 618 -46.005 0.000 0.8551 0.7326 1 581 620 -68.036 0.000 0.7804 0.6182 1 582 583 -0.009 0.000 1.0000 1.0000 1 582 584 -0.009 0.000 1.0000 1.0000 1 582 585 -0.010 0.000 1.0000 1.0000 1 582 586 -0.960 0.000 0.9260 0.7679 1 582 598 -14.026 0.000 0.8761 0.7140 1 582 599 -14.025 0.000 0.9224 0.8158 1 582 601 -14.982 0.000 0.7139 0.5446 1 582 605 -25.999 0.000 0.7399 0.6850 1 582 610 -30.984 0.000 0.7112 0.8136 1 582 611 -30.977 0.000 0.7112 0.8136 1 583 584 -0.000 0.000 1.0000 1.0000 1 583 585 -0.001 0.000 1.0000 1.0000 1 583 586 -0.951 0.000 0.9260 0.7679 1 583 598 -14.018 0.000 0.8761 0.7140 1 583 599 -14.016 0.000 0.9224 0.8158 1 583 601 -14.973 0.000 0.7139 0.5446 1 583 605 -25.990 0.000 0.7399 0.6850 1 583 610 -30.975 0.000 0.7112 0.8136 1 583 611 -30.969 0.000 0.7112 0.8136 1 584 585 -0.001 0.000 1.0000 1.0000 1 584 586 -0.951 0.000 0.9260 0.7679 1 584 598 -14.017 0.000 0.8761 0.7140 1 584 599 -14.016 0.000 0.9224 0.8158 1 584 601 -14.973 0.000 0.7139 0.5446 1 584 605 -25.990 0.000 0.7399 0.6850 1 584 610 -30.975 0.000 0.7112 0.8136 1 584 611 -30.968 0.000 0.7112 0.8136 1 585 586 -0.950 0.000 0.9260 0.7679 1 585 598 -14.016 0.000 0.8761 0.7140 1 585 599 -14.015 0.000 0.9224 0.8158 1 585 601 -14.972 0.000 0.7139 0.5446 1 585 605 -25.989 0.000 0.7399 0.6850 1 585 610 -30.974 0.000 0.7112 0.8136 1 585 611 -30.967 0.000 0.7112 0.8136 1 586 601 -14.022 0.000 0.9556 0.8488 1 586 605 -25.039 0.000 0.7529 0.5723 1 586 610 -30.024 0.000 0.7088 0.8162 1 586 611 -30.017 0.000 0.7088 0.8162 1 586 619 -52.049 0.000 0.7288 0.5668 1 587 588 -0.001 0.000 0.7944 0.7453 1 587 589 -0.001 0.000 0.7944 0.7453 1 587 590 -0.001 0.000 0.7651 0.6684 1 587 598 -12.039 0.000 0.7071 0.6010 1 588 589 0.000 0.000 1.0000 1.0000 1 588 590 0.000 0.000 0.7170 0.6504 1 588 598 -12.038 0.000 0.9155 0.8223 1 588 617 -43.005 0.000 0.7152 0.6856 1 589 590 0.000 0.000 0.7170 0.6504 1 589 598 -12.038 0.000 0.9155 0.8223 1 589 617 -43.006 0.000 0.7152 0.6856 1 590 599 -12.037 0.000 0.8872 0.7875 1 590 601 -12.994 0.000 0.8447 0.6415 1 590 602 -14.016 0.000 0.8900 0.6718 1 590 603 -14.016 0.000 0.8900 0.6718 1 591 592 0.001 0.000 0.9559 0.7880 1 591 604 -14.014 0.000 0.9759 0.8635 1 591 609 -28.030 0.000 0.8473 0.6527 1 591 610 -28.036 0.000 0.9720 0.8840 1 591 611 -28.029 0.000 0.9720 0.8840 1 591 612 -28.029 0.000 0.9218 0.6231 1 591 613 -28.030 0.000 0.9301 0.6023 1 591 614 -28.030 0.000 0.9301 0.6023 1 591 616 -42.046 0.000 0.8494 0.7026 1 591 617 -42.046 0.000 0.7964 0.5885 1 591 618 -42.045 0.000 0.9696 0.8326 1 592 604 -14.015 0.000 0.9393 0.7159 1 592 609 -28.031 0.000 0.8541 0.7547 1 592 610 -28.037 0.000 0.9343 0.7421 1 592 611 -28.031 0.000 0.9343 0.7421 1 592 612 -28.031 0.000 0.9153 0.6928 1 592 613 -28.031 0.000 0.9230 0.6698 1 592 614 -28.032 0.000 0.9230 0.6698 1 592 616 -42.047 0.000 0.8412 0.7403 1 592 617 -42.047 0.000 0.7922 0.6508 1 592 618 -42.046 0.000 0.9357 0.8354 1 593 596 -2.015 0.000 0.8903 0.8892 1 593 597 -2.015 0.000 0.8701 0.8407 1 593 604 -4.978 0.000 0.7716 0.7329 1 593 605 -14.015 0.000 0.9561 0.7700 1 593 615 -28.031 0.000 0.9511 0.7615 1 594 595 -0.000 0.000 1.0000 1.0000 1 594 605 -14.014 0.000 0.8888 0.8373 1 594 606 -14.016 0.000 0.8122 0.7196 1 594 607 -14.016 0.000 0.9413 0.8674 1 594 608 -16.031 0.000 0.8505 0.8093 1 594 619 -41.024 0.000 0.8236 0.8476 1 595 605 -14.014 0.000 0.8888 0.8373 1 595 606 -14.015 0.000 0.8122 0.7196 1 595 607 -14.015 0.000 0.9413 0.8674 1 595 608 -16.031 0.000 0.8505 0.8093 1 595 619 -41.024 0.000 0.8236 0.8476 1 596 597 0.000 0.000 0.9802 0.8750 1 596 604 -2.963 0.000 0.8258 0.7726 1 596 608 -14.017 0.000 0.9792 0.8835 1 597 604 -2.963 0.000 0.8050 0.6933 1 597 608 -14.017 0.000 0.9871 0.9572 1 599 601 -0.957 0.000 0.8928 0.6958 1 599 607 -11.975 0.000 0.7183 0.7191 1 601 615 -25.034 0.000 0.7575 0.5048 1 601 620 -52.042 0.000 0.7263 0.5395 1 602 603 -0.000 0.000 1.0000 1.0000 1 604 609 -14.016 0.000 0.9428 0.6597 1 604 610 -14.022 0.000 0.9855 0.8954 1 604 611 -14.016 0.000 0.9855 0.8954 1 604 612 -14.015 0.000 0.9228 0.5740 1 604 613 -14.016 0.000 0.9290 0.5533 1 604 614 -14.016 0.000 0.9290 0.5533 1 604 616 -28.032 0.000 0.8083 0.5697 1 604 617 -28.032 0.000 0.7899 0.5176 1 604 618 -28.031 0.000 0.9641 0.7594 1 605 608 -2.017 0.000 0.8731 0.7949 1 605 610 -4.985 0.000 0.7782 0.6564 1 605 611 -4.979 0.000 0.7733 0.6474 1 605 612 -4.979 0.000 0.7695 0.8167 1 605 613 -4.979 0.000 0.8024 0.8632 1 605 614 -4.980 0.000 0.8024 0.8632 1 605 615 -14.017 0.000 0.9591 0.8773 1 605 619 -27.010 0.000 0.9067 0.8476 1 606 607 0.000 0.000 0.7931 0.6706 1 606 615 -14.016 0.000 0.7267 0.5749 1 607 615 -14.016 0.000 0.9075 0.7886 1 607 618 -18.993 0.000 0.7155 0.7662 1 607 620 -41.024 0.000 0.8104 0.6915 1 608 610 -2.968 0.000 0.7821 0.7361 1 608 611 -2.962 0.000 0.7821 0.7361 1 608 612 -2.961 0.000 0.7498 0.6388 1 608 613 -2.962 0.000 0.7711 0.6516 1 608 614 -2.963 0.000 0.7711 0.6516 1 608 619 -24.993 0.000 0.8549 0.7942 1 609 610 -0.006 0.000 0.8132 0.5587 1 609 611 0.000 0.000 0.8132 0.5587 1 609 612 0.000 0.000 0.8462 0.6453 1 609 613 -0.000 0.000 0.8044 0.5452 1 609 614 -0.001 0.000 0.8044 0.5452 1 609 616 -14.016 0.000 0.9472 0.8585 1 609 617 -14.016 0.000 0.9231 0.7845 1 609 618 -14.015 0.000 0.8061 0.6406 1 610 611 0.007 0.000 1.0000 1.0000 1 610 612 0.007 0.000 0.9265 0.6112 1 610 613 0.006 0.000 0.9344 0.5904 1 610 614 0.006 0.000 0.9344 0.5904 1 610 616 -14.010 0.000 0.9194 0.7179 1 610 617 -14.010 0.000 0.9247 0.6573 1 610 618 -14.009 0.000 0.9703 0.8110 1 611 612 0.000 0.000 0.9265 0.6112 1 611 613 -0.000 0.000 0.9344 0.5904 1 611 614 -0.001 0.000 0.9344 0.5904 1 611 616 -14.016 0.000 0.9194 0.7179 1 611 617 -14.016 0.000 0.9247 0.6573 1 611 618 -14.016 0.000 0.9703 0.8110 1 612 613 -0.001 0.000 0.9454 0.8359 1 612 614 -0.001 0.000 0.9454 0.8359 1 612 616 -14.017 0.000 0.8947 0.6690 1 612 617 -14.016 0.000 0.8940 0.6891 1 612 618 -14.016 0.000 0.9273 0.7025 1 613 614 -0.000 0.000 1.0000 1.0000 1 613 616 -14.016 0.000 0.9227 0.6906 1 613 617 -14.016 0.000 0.9409 0.7455 1 613 618 -14.015 0.000 0.9509 0.7068 1 614 616 -14.016 0.000 0.9227 0.6906 1 614 617 -14.015 0.000 0.9409 0.7455 1 614 618 -14.015 0.000 0.9509 0.7068 1 615 618 -4.978 0.000 0.7332 0.6298 1 615 620 -27.008 0.000 0.8731 0.7104 1 616 617 0.000 0.000 0.9071 0.7618 1 616 618 0.001 0.000 0.8076 0.6471 1 617 618 0.000 0.000 0.7735 0.6102 1 619 620 -14.015 0.000 0.9523 0.8720 1 622 623 -2.009 0.000 0.9765 0.9348 1 nf_output/GNPS-COLLECTIONS-MISC.mgf.tsv0000644000000000000000000000000114677277111016165 0ustar rootroot nf_output/GNPS-IOBA-NHC.mgf.tsv0000644000000000000000000000000114677277110014775 0ustar rootroot nf_output/MCE-DRUG.mgf.tsv0000644000000000000000000000000114677277115014260 0ustar rootroot nf_output/GNPS-SCIEX-LIBRARY.mgf.tsv0000644000000000000000000000000114677277111015633 0ustar rootroot nf_output/GNPS-FAULKNERLEGACY.mgf.tsv0000644000000000000000000000000114677277111015752 0ustar rootroot nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv0000644000000000000000000000000114677277110021536 0ustar rootroot nf_output/MIADB.mgf.tsv0000644000000000000000000000000114677277107013732 0ustar rootroot nf_output/CASMI.mgf.tsv0000644000000000000000000000000114677277111013745 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv0000644000000000000000000000000114677277112017106 0ustar rootroot nf_output/library/0000755000000000000000000000000014677304047013257 5ustar rootrootnf_output/library/merged_results_with_gnps.tsv0000644000000000000000000056555614677304047021151 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 CCMSLIB00005724089 94 spectra_filtered.mgf GNPS-IOBA-NHC.mgf 0.959633 2621800.0 0 2.63324 15 0.00189209 718.538 1 temp/spectra_filtered.mgf94 1 PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid LC-ESI qTof Lysate N Auzeil UMR CNRS 8038 Universite de Paris M+H 718.54 717.531 1 26662-94-2 N/A [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1 N/A 3 Positive GNPS-IOBA-NHC 718.54 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C39H76NO8P FHQVHHIBKUMWTI-OTMQOFQLSA-N FHQVHHIBKUMWTI Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Glycerophospholipids Glycerophosphoethanolamines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005724089 CCMSLIB00005724087 46 spectra_filtered.mgf GNPS-IOBA-NHC.mgf 0.921552 364700.0 0 78327.1 12 54.0856 636.423 1 temp/spectra_filtered.mgf46 1 PE(16:0_16:1) - (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid LC-ESI qTof Lysate N Auzeil UMR CNRS 8038 Universite de Paris M+H 690.509 689.5 1 N/A N/A [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1 N/A 3 Positive GNPS-IOBA-NHC 690.509 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C37H72NO8P CZOSTDZGCCEZTJ-WMHOIYFHSA-N CZOSTDZGCCEZTJ Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Glycerophospholipids Glycerophosphoethanolamines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005724087 CCMSLIB00005727802 417 spectra_filtered.mgf MASSBANK.mgf 0.920403 7613900.0 0 13711.0 38 14.0218 1036.69 1 temp/spectra_filtered.mgf417 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 432 spectra_filtered.mgf MASSBANK.mgf 0.916879 2597600.0 0 19530.8 37 19.9736 1042.64 1 temp/spectra_filtered.mgf432 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00010072377 18 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.916865 32100.0 0 81949.1 5 56.1006 628.477 1 temp/spectra_filtered.mgf18 1 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+H 684.578 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 684.578 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:CCMSLIB00010072377 CCMSLIB00005727067 395 spectra_filtered.mgf MASSBANK.mgf 0.916799 4563800.0 0 15463.5 37 16.0308 1020.66 1 temp/spectra_filtered.mgf395 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 472 spectra_filtered.mgf MASSBANK.mgf 0.916743 4264600.0 0 27041.1 37 28.0332 1064.72 1 temp/spectra_filtered.mgf472 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 377 spectra_filtered.mgf MASSBANK.mgf 0.914748 1657700.0 0 41110.3 37 42.0423 980.628 1 temp/spectra_filtered.mgf377 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00012472783 85 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.908844 501600.0 0 231526.0 11 132.077 702.537 1 temp/spectra_filtered.mgf85 1 4-aminobutanoic acid_dodecanoic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M]+ 570.46 285.23 1 N/A N/A CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) N/A 1 Positive CMMC-LIBRARY 570.46 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H31NO3 BIXOTZHITGYMGF-UHFFFAOYSA-N BIXOTZHITGYMGF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012472783 CCMSLIB00005727802 399 spectra_filtered.mgf MASSBANK.mgf 0.907913 677600.0 0 7.34091 38 0.00750732 1022.68 1 temp/spectra_filtered.mgf399 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 386 spectra_filtered.mgf MASSBANK.mgf 0.905196 3145000.0 0 13699.8 36 14.0104 1008.66 1 temp/spectra_filtered.mgf386 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 397 spectra_filtered.mgf MASSBANK.mgf 0.904998 573800.0 0 13554.0 35 14.0513 1022.64 1 temp/spectra_filtered.mgf397 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00003137173 25 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.901283 442300.0 0 368445.0 18 169.22 628.5 1 temp/spectra_filtered.mgf25 1 Spectral Match to Decaethylene glycol from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by aaksenov M+H 459.28 0.0 1 5579668 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 459.28 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:CCMSLIB00003137173 CCMSLIB00005727802 437 spectra_filtered.mgf MASSBANK.mgf 0.898224 428500.0 0 27379.3 36 27.9999 1050.67 1 temp/spectra_filtered.mgf437 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 438 spectra_filtered.mgf MASSBANK.mgf 0.896794 532800.0 0 27379.3 37 27.9999 1050.67 1 temp/spectra_filtered.mgf438 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00012472783 8 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.895151 377400.0 0 77172.2 11 44.0237 614.484 1 temp/spectra_filtered.mgf8 1 4-aminobutanoic acid_dodecanoic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M]+ 570.46 285.23 1 N/A N/A CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) N/A 1 Positive CMMC-LIBRARY 570.46 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H31NO3 BIXOTZHITGYMGF-UHFFFAOYSA-N BIXOTZHITGYMGF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012472783 CCMSLIB00012472783 7 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.895151 377400.0 0 77133.2 11 44.0014 614.461 1 temp/spectra_filtered.mgf7 1 4-aminobutanoic acid_dodecanoic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M]+ 570.46 285.23 1 N/A N/A CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) N/A 1 Positive CMMC-LIBRARY 570.46 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H31NO3 BIXOTZHITGYMGF-UHFFFAOYSA-N BIXOTZHITGYMGF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012472783 CCMSLIB00012472783 68 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.894096 443100.0 0 154349.0 10 88.05 658.51 1 temp/spectra_filtered.mgf68 1 4-aminobutanoic acid_dodecanoic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M]+ 570.46 285.23 1 N/A N/A CCCCCCCCCCCC(=O)NCCCC(=O)O InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) N/A 1 Positive CMMC-LIBRARY 570.46 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H31NO3 BIXOTZHITGYMGF-UHFFFAOYSA-N BIXOTZHITGYMGF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012472783 CCMSLIB00005727802 440 spectra_filtered.mgf MASSBANK.mgf 0.893875 1191400.0 0 27415.8 36 28.0373 1050.71 1 temp/spectra_filtered.mgf440 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 409 spectra_filtered.mgf MASSBANK.mgf 0.893475 360000.0 0 1944.29 37 2.01562 1034.67 1 temp/spectra_filtered.mgf409 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 408 spectra_filtered.mgf MASSBANK.mgf 0.893475 360000.0 0 1942.99 37 2.01428 1034.68 1 temp/spectra_filtered.mgf408 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00003137173 21 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.891793 955800.0 0 368400.0 16 169.199 628.479 1 temp/spectra_filtered.mgf21 1 Spectral Match to Decaethylene glycol from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by aaksenov M+H 459.28 0.0 1 5579668 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 459.28 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:CCMSLIB00003137173 CCMSLIB00003137173 20 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.891793 955800.0 0 368401.0 16 169.199 628.479 1 temp/spectra_filtered.mgf20 1 Spectral Match to Decaethylene glycol from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by aaksenov M+H 459.28 0.0 1 5579668 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 459.28 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:CCMSLIB00003137173 CCMSLIB00003137173 22 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.889197 577100.0 0 368400.0 16 169.199 628.479 1 temp/spectra_filtered.mgf22 1 Spectral Match to Decaethylene glycol from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by aaksenov M+H 459.28 0.0 1 5579668 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 459.28 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:CCMSLIB00003137173 CCMSLIB00005727067 471 spectra_filtered.mgf MASSBANK.mgf 0.886412 665700.0 0 27042.8 36 28.035 1064.72 1 temp/spectra_filtered.mgf471 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 398 spectra_filtered.mgf MASSBANK.mgf 0.881653 679000.0 0 13554.6 36 14.0519 1022.64 1 temp/spectra_filtered.mgf398 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00010072377 80 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.880214 25100.0 0 3051.86 5 2.08923 682.489 1 temp/spectra_filtered.mgf80 1 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+H 684.578 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 684.578 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:CCMSLIB00010072377 CCMSLIB00005727067 401 spectra_filtered.mgf MASSBANK.mgf 0.875158 2220400.0 0 13518.2 34 14.0142 1022.68 1 temp/spectra_filtered.mgf401 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 413 spectra_filtered.mgf MASSBANK.mgf 0.875065 159000.0 0 34.9718 29 0.0362549 1036.65 1 temp/spectra_filtered.mgf413 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00012248169 77 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.869939 358000.0 0 21293.4 4 14.0218 672.526 1 temp/spectra_filtered.mgf77 1 11-Deoxy-PGE1 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M-2H2O+NH4]+ 658.504 338.246 1 N/A N/A CCCCCC(O)C=CC1CCC(=O)C1CCCCCCC(=O)O """InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1""" DPNOTBLPQOITGU-LDDQNKHRSA-N 1 Positive PRIVATE-LIB 658.504 UPDATE-SINGLE-ANNOTATED-GOLD Gold C20H34O4 DPNOTBLPQOITGU-UHFFFAOYSA-N DPNOTBLPQOITGU Lipids and lipid-like molecules Fatty Acyls Eicosanoids Eicosanoids Prostaglandins Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012248169 CCMSLIB00005727802 415 spectra_filtered.mgf MASSBANK.mgf 0.864307 1862400.0 0 13709.5 37 14.0203 1036.69 1 temp/spectra_filtered.mgf415 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 414 spectra_filtered.mgf MASSBANK.mgf 0.861281 2740400.0 0 35.325 33 0.0366211 1036.65 1 temp/spectra_filtered.mgf414 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 400 spectra_filtered.mgf MASSBANK.mgf 0.858622 913900.0 0 4.89394 36 0.00500488 1022.67 1 temp/spectra_filtered.mgf400 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00012268277 93 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.853339 134700.0 0 140090.0 4 88.0471 716.552 1 temp/spectra_filtered.mgf93 1 Amafolone LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M+NH4]+ 628.505 305.235 1 N/A N/A CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O """InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1""" QPRBHGIRKWZUFJ-PPMYXAGCSA-N 1 Positive PRIVATE-LIB 628.505 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H31NO2 QPRBHGIRKWZUFJ-UHFFFAOYSA-N QPRBHGIRKWZUFJ Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Steroids Androstane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012268277 CCMSLIB00012268277 92 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.847417 159900.0 0 140089.0 4 88.0469 716.552 1 temp/spectra_filtered.mgf92 1 Amafolone LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M+NH4]+ 628.505 305.235 1 N/A N/A CC12CCC3C(CCC4CC(N)C(O)CC43C)C1CCC2=O """InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1""" QPRBHGIRKWZUFJ-PPMYXAGCSA-N 1 Positive PRIVATE-LIB 628.505 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H31NO2 QPRBHGIRKWZUFJ-UHFFFAOYSA-N QPRBHGIRKWZUFJ Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Steroids Androstane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012268277 CCMSLIB00005727067 439 spectra_filtered.mgf MASSBANK.mgf 0.838949 676700.0 0 13483.2 33 13.9779 1050.67 1 temp/spectra_filtered.mgf439 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 436 spectra_filtered.mgf MASSBANK.mgf 0.838828 126200.0 0 25444.1 29 26.0209 1048.69 1 temp/spectra_filtered.mgf436 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00000577574 470 spectra_filtered.mgf DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0.838651 697700.0 0 27041.5 36 28.0337 1064.72 1 temp/spectra_filtered.mgf470 1 [Leu7]-Surfactin_C14i_monomethyl_ester_45019_dereplictor_pv_9.54813e-25 N/A N/A N/A Pevzner N/A M+H 1036.69 0.0 1 N/A N/A [H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(65)55-38(24-31(3)4)48(66)57-40(26-33(7)8)51(69)60-46(35(11)12)52(70)58-41(29-45(64)72-13)50(68)56-39(25-32(5)6)49(67)59-42(27-34(9)10)53(71)73-36/h30-42,46H,14-29H2,1-13H3,(H,54,61)(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,62,63)/t36?,37-,38+,39-,40?,41+,42+,46+/m1/s1 N/A 3 N/A DEREPLICATOR_IDENTIFIED_LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 QXKJVJDWLKHZJE-XJODGUKESA-N QXKJVJDWLKHZJE Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000577574 CCMSLIB00005727802 387 spectra_filtered.mgf MASSBANK.mgf 0.838164 92800.0 0 13700.3 26 14.0109 1008.66 1 temp/spectra_filtered.mgf387 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 412 spectra_filtered.mgf MASSBANK.mgf 0.837157 1572000.0 0 546.36 36 0.566406 1036.12 1 temp/spectra_filtered.mgf412 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00012371734 43 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.832588 110900.0 0 837999.0 4 290.126 636.339 1 temp/spectra_filtered.mgf43 1 CHEMBL4950191 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 346.213 345.205 1 N/A N/A O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 OHWVKHQVXLWJRT-KRWDZBQOSA-N 1 Positive MSNLIB-POSITIVE 346.213 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H27N3O3 OHWVKHQVXLWJRT-KRWDZBQOSA-N OHWVKHQVXLWJRT N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012371734 CCMSLIB00012371734 45 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.832588 110900.0 0 837999.0 4 290.126 636.339 1 temp/spectra_filtered.mgf45 1 CHEMBL4950191 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 346.213 345.205 1 N/A N/A O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 OHWVKHQVXLWJRT-KRWDZBQOSA-N 1 Positive MSNLIB-POSITIVE 346.213 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H27N3O3 OHWVKHQVXLWJRT-KRWDZBQOSA-N OHWVKHQVXLWJRT N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012371734 CCMSLIB00012371734 44 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.832588 110900.0 0 837999.0 4 290.126 636.339 1 temp/spectra_filtered.mgf44 1 CHEMBL4950191 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 346.213 345.205 1 N/A N/A O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 OHWVKHQVXLWJRT-KRWDZBQOSA-N 1 Positive MSNLIB-POSITIVE 346.213 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H27N3O3 OHWVKHQVXLWJRT-KRWDZBQOSA-N OHWVKHQVXLWJRT N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012371734 CCMSLIB00012371734 42 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.832588 110900.0 0 837998.0 4 290.126 636.339 1 temp/spectra_filtered.mgf42 1 CHEMBL4950191 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 346.213 345.205 1 N/A N/A O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 InChI=1S/C19H27N3O3/c23-18(21-9-5-2-6-10-21)17(15-16-7-3-1-4-8-16)20-19(24)22-11-13-25-14-12-22/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)/t17-/m0/s1 OHWVKHQVXLWJRT-KRWDZBQOSA-N 1 Positive MSNLIB-POSITIVE 346.213 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H27N3O3 OHWVKHQVXLWJRT-KRWDZBQOSA-N OHWVKHQVXLWJRT N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012371734 CCMSLIB00005727067 441 spectra_filtered.mgf MASSBANK.mgf 0.830432 73500.0 0 13520.2 23 14.0162 1050.71 1 temp/spectra_filtered.mgf441 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 403 spectra_filtered.mgf MASSBANK.mgf 0.828786 546300.0 0 1938.42 33 1.98236 1024.65 1 temp/spectra_filtered.mgf403 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005746406 287 spectra_filtered.mgf MASSBANK.mgf 0.827379 132800.0 0 3115820.0 4 651.346 860.391 1 temp/spectra_filtered.mgf287 1 Massbank:PR309199 Hydroxyferulic acid ESI qTof Isolated Massbank Massbank M-H 209.045 0.0 1 N/A N/A O=C(O)C=CC1=CC(O)=C(O)C(OC)=C1 1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13) N/A 3 Negative MASSBANK 209.045 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H10O5 YFXWTVLDSKSYLW-UHFFFAOYSA-N YFXWTVLDSKSYLW 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:CCMSLIB00005746406 CCMSLIB00003136089 131 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.824303 175200.0 0 831604.0 13 345.326 760.579 1 temp/spectra_filtered.mgf131 1 Spectral Match to Nonaethylene glycol from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by amelnik M+H 415.253 0.0 1 3386183 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 415.253 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:CCMSLIB00003136089 CCMSLIB00004679264 39 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.816679 180100.0 0 27601.4 12 18.0071 634.393 1 temp/spectra_filtered.mgf39 1 val-leu-pro-val-pro LC-ESI qTof Lysate Pieter Dorrestein Daniel Petras M+H 652.4 652.403 1 N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 3 Positive GNPS-LIBRARY 652.4 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H53N7O8 KSIHMACFIAFKIG-FSFMBLRGSA-N KSIHMACFIAFKIG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides|Small peptides Linear peptides|Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004679264 CCMSLIB00005727067 394 spectra_filtered.mgf MASSBANK.mgf 0.815547 76400.0 0 17371.8 24 18.0092 1018.68 1 temp/spectra_filtered.mgf394 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 393 spectra_filtered.mgf MASSBANK.mgf 0.815547 76400.0 0 17372.9 24 18.0103 1018.68 1 temp/spectra_filtered.mgf393 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00004707177 190 spectra_filtered.mgf MONA.mgf 0.815078 51600.0 0 40275.0 11 34.2105 815.214 1 temp/spectra_filtered.mgf190 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 179 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40274.6 11 34.2102 815.214 1 temp/spectra_filtered.mgf179 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 178 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40274.8 11 34.2104 815.214 1 temp/spectra_filtered.mgf178 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 180 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40274.2 11 34.2099 815.214 1 temp/spectra_filtered.mgf180 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 181 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.9 11 34.2096 815.214 1 temp/spectra_filtered.mgf181 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 177 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.8 11 34.2095 815.214 1 temp/spectra_filtered.mgf177 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 176 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.4 11 34.2092 815.215 1 temp/spectra_filtered.mgf176 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 175 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.5 11 34.2093 815.215 1 temp/spectra_filtered.mgf175 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 182 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40274.4 11 34.21 815.214 1 temp/spectra_filtered.mgf182 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 171 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.5 11 34.2093 815.215 1 temp/spectra_filtered.mgf171 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 173 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.4 11 34.2092 815.215 1 temp/spectra_filtered.mgf173 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 172 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.5 11 34.2093 815.215 1 temp/spectra_filtered.mgf172 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 174 spectra_filtered.mgf MONA.mgf 0.813848 63900.0 0 40273.5 11 34.2093 815.215 1 temp/spectra_filtered.mgf174 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 200 spectra_filtered.mgf MONA.mgf 0.812125 55500.0 0 40273.2 10 34.209 815.215 1 temp/spectra_filtered.mgf200 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 201 spectra_filtered.mgf MONA.mgf 0.812125 55500.0 0 40272.0 10 34.208 815.216 1 temp/spectra_filtered.mgf201 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00000531487 455 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.811644 2887200.0 0 17370.3 31 18.0076 1054.7 1 temp/spectra_filtered.mgf455 1 Surfactin C LC-ESI Hybrid FT Other Havlicek M+H 1036.69 1035.68 1 26195308 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 3 Positive GNPS-LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000531487 CCMSLIB00010068872 299 spectra_filtered.mgf PNNL-LIPIDS-NEGATIVE.mgf 0.810094 1772100.0 0 226165.0 4 162.052 878.575 1 temp/spectra_filtered.mgf299 1 PE(16:0/18:1); [M-H]- C39H75N1O8P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M-H 716.523 0.0 1 N/A N/A N/A N/A N/A 1 Negative PNNL-LIPIDS-NEGATIVE 716.523 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:CCMSLIB00010068872 CCMSLIB00004707177 195 spectra_filtered.mgf MONA.mgf 0.809822 58700.0 0 40274.2 12 34.2098 815.214 1 temp/spectra_filtered.mgf195 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 212 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40272.6 12 34.2085 815.216 1 temp/spectra_filtered.mgf212 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 203 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.7 12 34.2103 815.214 1 temp/spectra_filtered.mgf203 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 213 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40273.1 12 34.2089 815.215 1 temp/spectra_filtered.mgf213 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 211 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40272.6 12 34.2085 815.216 1 temp/spectra_filtered.mgf211 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 210 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40273.9 12 34.2096 815.214 1 temp/spectra_filtered.mgf210 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 209 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40273.4 12 34.2092 815.215 1 temp/spectra_filtered.mgf209 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 208 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40273.9 12 34.2096 815.214 1 temp/spectra_filtered.mgf208 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 207 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.0 12 34.2097 815.214 1 temp/spectra_filtered.mgf207 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 205 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.6 12 34.2102 815.214 1 temp/spectra_filtered.mgf205 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 204 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.0 12 34.2097 815.214 1 temp/spectra_filtered.mgf204 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 206 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.4 12 34.2101 815.214 1 temp/spectra_filtered.mgf206 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 202 spectra_filtered.mgf MONA.mgf 0.809336 66100.0 0 40274.8 12 34.2104 815.214 1 temp/spectra_filtered.mgf202 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00005754065 268 spectra_filtered.mgf MASSBANK.mgf 0.808977 63800.0 0 2751340.0 4 619.322 844.42 1 temp/spectra_filtered.mgf268 1 Massbank: Etofylline|7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione ESI Hybrid FT Isolated Massbank Massbank M+H 225.098 0.0 1 519-37-9 N/A CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO 1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 N/A 3 Positive MASSBANK 225.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H12N4O3 NWPRCRWQMGIBOT-UHFFFAOYSA-N NWPRCRWQMGIBOT Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Pseudoalkaloids Purine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005754065 CCMSLIB00005727067 481 spectra_filtered.mgf MASSBANK.mgf 0.808374 3509700.0 0 32749.8 31 33.9514 1070.64 1 temp/spectra_filtered.mgf481 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00004707177 193 spectra_filtered.mgf MONA.mgf 0.807052 54700.0 0 40273.9 11 34.2096 815.214 1 temp/spectra_filtered.mgf193 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 192 spectra_filtered.mgf MONA.mgf 0.807052 54700.0 0 40274.4 11 34.2101 815.214 1 temp/spectra_filtered.mgf192 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 191 spectra_filtered.mgf MONA.mgf 0.807052 54700.0 0 40274.2 11 34.2098 815.214 1 temp/spectra_filtered.mgf191 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004679264 40 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.805963 159500.0 0 27601.0 12 18.0069 634.393 1 temp/spectra_filtered.mgf40 1 val-leu-pro-val-pro LC-ESI qTof Lysate Pieter Dorrestein Daniel Petras M+H 652.4 652.403 1 N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 3 Positive GNPS-LIBRARY 652.4 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H53N7O8 KSIHMACFIAFKIG-FSFMBLRGSA-N KSIHMACFIAFKIG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides|Small peptides Linear peptides|Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004679264 CCMSLIB00004707177 189 spectra_filtered.mgf MONA.mgf 0.80548 69800.0 0 40275.5 12 34.2109 815.213 1 temp/spectra_filtered.mgf189 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00005727802 429 spectra_filtered.mgf MASSBANK.mgf 0.804487 1089300.0 0 17614.8 27 18.0141 1040.68 1 temp/spectra_filtered.mgf429 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00010100596 109 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.802868 513900.0 0 2716.23 5 2.01691 740.522 1 temp/spectra_filtered.mgf109 1 PE(18:1/18:2); [M+H]+ C41H77N1O8P1 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+H 742.539 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 742.539 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:CCMSLIB00010100596 CCMSLIB00012249708 41 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.802337 272200.0 0 0.288604 14 0.000183105 634.452 1 temp/spectra_filtered.mgf41 1 Nonoxynol-9 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+NH4]+ 634.452 616.419 1 N/A N/A CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 """InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3""" FBWNMEQMRUMQSO-UHFFFAOYSA-N 1 Positive PRIVATE-LIB 634.452 UPDATE-SINGLE-ANNOTATED-GOLD Gold C33H60O10 FBWNMEQMRUMQSO-UHFFFAOYSA-N FBWNMEQMRUMQSO Organic oxygen compounds Organooxygen compounds Ethers Glycerophospholipids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012249708 CCMSLIB00000005946 76 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART1.mgf 0.801402 788400.0 0 813435.0 5 301.169 671.412 1 temp/spectra_filtered.mgf76 1 PerindoprilErbumine LC-ESI qTof Isolated Sirenas Ed Esquenazi M+H 370.243 441.32 1 N/A N/A CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1 N/A 3 Positive GNPS-SELLECKCHEM-FDA-PART1 370.243 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H43N3O5 IYNMDWMQHSMDDE-MHXJNQAMSA-N IYNMDWMQHSMDDE Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000005946 CCMSLIB00000531487 452 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.798392 107100.0 0 16423.9 19 17.0265 1053.72 1 temp/spectra_filtered.mgf452 1 Surfactin C LC-ESI Hybrid FT Other Havlicek M+H 1036.69 1035.68 1 26195308 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 3 Positive GNPS-LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000531487 CCMSLIB00005727067 479 spectra_filtered.mgf MASSBANK.mgf 0.795032 1041200.0 0 32749.7 32 33.9513 1070.64 1 temp/spectra_filtered.mgf479 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00004707177 188 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40275.1 12 34.2106 815.213 1 temp/spectra_filtered.mgf188 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 184 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40274.2 12 34.2099 815.214 1 temp/spectra_filtered.mgf184 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 186 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40274.2 12 34.2099 815.214 1 temp/spectra_filtered.mgf186 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 185 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40274.2 12 34.2099 815.214 1 temp/spectra_filtered.mgf185 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 183 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40273.9 12 34.2096 815.214 1 temp/spectra_filtered.mgf183 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 187 spectra_filtered.mgf MONA.mgf 0.793713 71600.0 0 40274.2 12 34.2099 815.214 1 temp/spectra_filtered.mgf187 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00005727067 392 spectra_filtered.mgf MASSBANK.mgf 0.793211 73000.0 0 17370.5 22 18.0078 1018.68 1 temp/spectra_filtered.mgf392 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 346 spectra_filtered.mgf MASSBANK.mgf 0.790803 245900.0 0 109081.0 27 113.083 923.607 1 temp/spectra_filtered.mgf346 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 480 spectra_filtered.mgf MASSBANK.mgf 0.789951 2211400.0 0 32749.9 31 33.9515 1070.64 1 temp/spectra_filtered.mgf480 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 458 spectra_filtered.mgf MASSBANK.mgf 0.7896 830200.0 0 33203.3 31 33.956 1056.63 1 temp/spectra_filtered.mgf458 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 484 spectra_filtered.mgf MASSBANK.mgf 0.788552 1050500.0 0 32780.1 30 33.9828 1070.67 1 temp/spectra_filtered.mgf484 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00004707177 199 spectra_filtered.mgf MONA.mgf 0.783247 55300.0 0 40273.3 10 34.2091 815.215 1 temp/spectra_filtered.mgf199 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 198 spectra_filtered.mgf MONA.mgf 0.783247 55300.0 0 40273.4 10 34.2092 815.215 1 temp/spectra_filtered.mgf198 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 197 spectra_filtered.mgf MONA.mgf 0.783247 55300.0 0 40273.8 10 34.2095 815.214 1 temp/spectra_filtered.mgf197 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 196 spectra_filtered.mgf MONA.mgf 0.783247 55300.0 0 40274.0 10 34.2097 815.214 1 temp/spectra_filtered.mgf196 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00004707177 194 spectra_filtered.mgf MONA.mgf 0.781887 57500.0 0 40274.0 11 34.2097 815.214 1 temp/spectra_filtered.mgf194 1 (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF016114 [M+Na]+ 849.424 0.0 1 N/A N/A C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@]1(C)O InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 N/A 3 positive MONA 849.424 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C42H66O16 LCQFYEBJTAIMPC-PVSIORMYSA-N LCQFYEBJTAIMPC Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Ursane and Taraxastane triterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004707177 CCMSLIB00003136128 12 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.779773 235600.0 0 203892.0 14 105.078 620.437 1 temp/spectra_filtered.mgf12 1 Spectral Match to p-tert-Octylphenol heptaglycol ether from NIST14 ESI QqQ Isolated Data from PDorrestein Data deposited by amelnik M+H 515.359 0.0 1 2497598 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 515.359 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:CCMSLIB00003136128 CCMSLIB00005727802 457 spectra_filtered.mgf MASSBANK.mgf 0.779669 885700.0 0 33203.3 32 33.956 1056.63 1 temp/spectra_filtered.mgf457 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00003137268 72 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.773558 127900.0 0 39044.1 16 26.9974 664.463 1 temp/spectra_filtered.mgf72 1 Spectral Match to p-tert-Octylphenol undecaglycol ether from NIST14 ESI QqQ Isolated Data from Piel, Dittmann Data deposited by eriche M+H 691.46 0.0 1 108437623 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 691.46 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:CCMSLIB00003137268 CCMSLIB00005436318 126 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.772804 463100.0 0 38873.4 5 29.9915 741.526 1 temp/spectra_filtered.mgf126 1 [2,3-di[octadeca-9,12-dienoyloxy]propoxy][2,3-dihydroxypropoxy]phosphinic acid LC-ESI qTof Commercial O Laprevote C-TAC M+H 771.517 770.51 1 322729-38-4 3 Positive GNPS-LIBRARY 771.517 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:CCMSLIB00005436318 CCMSLIB00004709934 114 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384889.0 11 205.993 741.195 1 temp/spectra_filtered.mgf114 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 113 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384888.0 11 205.993 741.195 1 temp/spectra_filtered.mgf113 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 112 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384888.0 11 205.993 741.195 1 temp/spectra_filtered.mgf112 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 115 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384890.0 11 205.994 741.196 1 temp/spectra_filtered.mgf115 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 110 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384890.0 11 205.994 741.196 1 temp/spectra_filtered.mgf110 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 111 spectra_filtered.mgf MONA.mgf 0.771747 54500.0 0 384888.0 11 205.993 741.195 1 temp/spectra_filtered.mgf111 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00005727802 474 spectra_filtered.mgf MASSBANK.mgf 0.766733 23605700.0 0 44063.9 39 45.0628 1067.73 1 temp/spectra_filtered.mgf474 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00004679264 59 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.762372 146800.0 0 6.26817 8 0.00408936 652.404 1 temp/spectra_filtered.mgf59 1 val-leu-pro-val-pro LC-ESI qTof Lysate Pieter Dorrestein Daniel Petras M+H 652.4 652.403 1 N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 3 Positive GNPS-LIBRARY 652.4 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H53N7O8 KSIHMACFIAFKIG-FSFMBLRGSA-N KSIHMACFIAFKIG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides|Small peptides Linear peptides|Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004679264 CCMSLIB00004679264 58 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.762372 146800.0 0 18.6174 8 0.012146 652.412 1 temp/spectra_filtered.mgf58 1 val-leu-pro-val-pro LC-ESI qTof Lysate Pieter Dorrestein Daniel Petras M+H 652.4 652.403 1 N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1 InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1 3 Positive GNPS-LIBRARY 652.4 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H53N7O8 KSIHMACFIAFKIG-FSFMBLRGSA-N KSIHMACFIAFKIG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides|Small peptides Linear peptides|Tripeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004679264 CCMSLIB00000577511 379 spectra_filtered.mgf DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0.761441 554200.0 0 41119.0 37 42.0516 980.628 1 temp/spectra_filtered.mgf379 1 [Val7]-Surfactin_C15ai_45009_dereplictor_pv_9.80728e-39 N/A N/A N/A Pevzner N/A M+H 1022.68 0.0 1 N/A N/A [H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] InChI=1S/C52H91N7O13/c1-13-34(12)20-18-16-14-15-17-19-21-35-27-41(60)53-36(22-23-42(61)62)46(65)54-37(24-29(2)3)47(66)55-38(25-30(4)5)49(68)58-44(32(8)9)51(70)57-40(28-43(63)64)48(67)56-39(26-31(6)7)50(69)59-45(33(10)11)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,66)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,61,62)(H,63,64)/t34?,35?,36-,37+,38?,39-,40+,44+,45+/m1/s1 N/A 3 N/A DEREPLICATOR_IDENTIFIED_LIBRARY 1022.68 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 XERUKUVYCHYPHQ-QSMVWKQPSA-N XERUKUVYCHYPHQ Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000577511 CCMSLIB00000577830 14 spectra_filtered.mgf DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0.761309 418700.0 0 110719.0 6 62.0347 622.324 1 temp/spectra_filtered.mgf14 1 versicoloritide_A_22810_dereplictor_pv_1.77097e-11 N/A N/A N/A Pevzner N/A M+H 560.289 0.0 1 N/A N/A [H]N1C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H] InChI=1S/C31H37N5O5/c1-20-27(37)33-23(18-21-10-4-2-5-11-21)30(40)36-17-9-15-26(36)29(39)34-24(19-22-12-6-3-7-13-22)31(41)35-16-8-14-25(35)28(38)32-20/h2-7,10-13,20,23-26H,8-9,14-19H2,1H3,(H,32,38)(H,33,37)(H,34,39)/t20-,23-,24-,25-,26-/m0/s1 N/A 3 N/A DEREPLICATOR_IDENTIFIED_LIBRARY 560.289 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H37N5O5 WEORCYBDFCLEEX-REVLRCOSSA-N WEORCYBDFCLEEX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides Cyclic peptides|Depsipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000577830 CCMSLIB00005727802 456 spectra_filtered.mgf MASSBANK.mgf 0.761042 852700.0 0 33203.5 34 33.9562 1056.63 1 temp/spectra_filtered.mgf456 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 491 spectra_filtered.mgf MASSBANK.mgf 0.759416 520000.0 0 55797.2 37 57.0621 1079.73 1 temp/spectra_filtered.mgf491 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00004701840 512 spectra_filtered.mgf MONA.mgf 0.757561 157300.0 0 3089780.0 4 825.464 1092.62 1 temp/spectra_filtered.mgf512 1 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF010777 [M+H]+ 267.159 0.0 1 N/A N/A CC1(C)CCCC2(C)C3=C(C(=O)OC3O)C(O)CC12 InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3 N/A 3 positive MONA 267.159 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H22O4 FFDNVMGPKVVVOG-UHFFFAOYSA-N FFDNVMGPKVVVOG N/A N/A N/A Sesquiterpenoids Drimane sesquiterpenoids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004701840 CCMSLIB00005727802 492 spectra_filtered.mgf MASSBANK.mgf 0.75228 442800.0 0 55798.0 35 57.0629 1079.73 1 temp/spectra_filtered.mgf492 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 404 spectra_filtered.mgf MASSBANK.mgf 0.744718 463000.0 0 1939.73 30 1.9837 1024.65 1 temp/spectra_filtered.mgf404 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00010072377 19 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.742259 202300.0 0 81948.3 5 56.1 628.478 1 temp/spectra_filtered.mgf19 1 DGTSA(14:0/16:0); [M+H]+ C40H78N1O7 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+H 684.578 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 684.578 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:CCMSLIB00010072377 CCMSLIB00005727067 517 spectra_filtered.mgf MASSBANK.mgf 0.738596 315400.0 0 55037.8 31 57.0571 1093.75 1 temp/spectra_filtered.mgf517 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 384 spectra_filtered.mgf MASSBANK.mgf 0.73742 2518300.0 0 27404.7 31 28.026 994.644 1 temp/spectra_filtered.mgf384 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 586 spectra_filtered.mgf MASSBANK.mgf 0.737145 483500.0 0 96515.3 35 100.056 1136.75 1 temp/spectra_filtered.mgf586 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00003134759 108 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.735442 536800.0 0 818.45 6 0.606079 739.915 1 temp/spectra_filtered.mgf108 1 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine from NIST14 ESI IT/ion trap Isolated Data from Yoshihiro Kawaoka, Katrina Waters, Richard Smith and Thomas Metz Data deposited by alchemistmatt M+H 740.521 0.0 1 20707715 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 740.521 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:CCMSLIB00003134759 CCMSLIB00005727067 469 spectra_filtered.mgf MASSBANK.mgf 0.734628 118300.0 0 27039.7 19 28.0317 1064.72 1 temp/spectra_filtered.mgf469 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727802 519 spectra_filtered.mgf MASSBANK.mgf 0.733683 496300.0 0 71475.5 36 73.0959 1095.77 1 temp/spectra_filtered.mgf519 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00000531487 443 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.73218 1147100.0 0 15429.0 26 15.9951 1052.69 1 temp/spectra_filtered.mgf443 1 Surfactin C LC-ESI Hybrid FT Other Havlicek M+H 1036.69 1035.68 1 26195308 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 3 Positive GNPS-LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000531487 CCMSLIB00005727067 391 spectra_filtered.mgf MASSBANK.mgf 0.732166 181800.0 0 17371.7 26 18.009 1018.68 1 temp/spectra_filtered.mgf391 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 453 spectra_filtered.mgf MASSBANK.mgf 0.731645 893900.0 0 17322.4 32 17.958 1054.65 1 temp/spectra_filtered.mgf453 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00006451390 132 spectra_filtered.mgf BMDMS-NP.mgf 0.729677 251900.0 0 202272.0 7 128.097 761.387 1 temp/spectra_filtered.mgf132 1 N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+Na]+ 633.29 610.279 1 N/A N/A O=C1C=C2C(=CC=C1NC(C(=O)N3CC=4NC=5C=CC=CC5C4CC3)C)C6=C(OC)C(OC)=C(OC)C=C6CCC2NC(=O)C InChI=1S/C35H38N4O6/c1-19(35(42)39-15-14-23-22-8-6-7-9-26(22)38-29(23)18-39)36-28-13-11-24-25(17-30(28)41)27(37-20(2)40)12-10-21-16-31(43-3)33(44-4)34(45-5)32(21)24/h6-9,11,13,16-17,19,27,38H,10,12,14-15,18H2,1-5H3,(H,36,41)(H,37,40) N/A 1 Positive BMDMS-NP 633.29 UPDATE-SINGLE-ANNOTATED-GOLD Gold C35H38N4O6 YIIKPFWLWYKDPH-UHFFFAOYSA-N YIIKPFWLWYKDPH Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Tyrosine alkaloids Phenethylisoquinoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006451390 CCMSLIB00012448495 433 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.729301 32300.0 0 19555.9 6 20.0374 1044.66 1 temp/spectra_filtered.mgf433 1 CHEBI:182584 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+NH4]+ 1024.62 1006.59 1 N/A N/A C/C=C(\C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C InChI=1S/C54H86O17/c1-14-27(2)51(57)68-42-22-37-36(54(58)20-18-35(28(3)55)53(42,54)9)16-15-33-21-34(17-19-52(33,37)8)67-43-24-39(60-11)48(30(5)64-43)70-45-26-41(62-13)50(32(7)66-45)71-46-25-40(61-12)49(31(6)65-46)69-44-23-38(59-10)47(56)29(4)63-44/h14-15,29-32,34-50,56,58H,16-26H2,1-13H3/b27-14+ KQRYTIJIWAGUQB-MZJWZYIUSA-N 1 Positive MSNLIB-POSITIVE 1024.62 UPDATE-SINGLE-ANNOTATED-GOLD Gold C54H86O17 KQRYTIJIWAGUQB-MZJWZYIUSA-N KQRYTIJIWAGUQB Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Steroids Pregnane steroids Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012448495 CCMSLIB00011434954 250 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.727149 52000.0 0 1539450.0 4 508.279 838.447 1 temp/spectra_filtered.mgf250 1 Tyr-C8:0 ESI Orbitrap Commercial Dorrestein Ipsita M+Na 330.168 307.178 1 N/A N/A CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 330.168 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H25NO4 CNDGPTOBKYTGSG-UHFFFAOYSA-N CNDGPTOBKYTGSG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434954 CCMSLIB00011434954 249 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.727149 52000.0 0 1539460.0 4 508.279 838.447 1 temp/spectra_filtered.mgf249 1 Tyr-C8:0 ESI Orbitrap Commercial Dorrestein Ipsita M+Na 330.168 307.178 1 N/A N/A CCCCCCCC(NC(C(O)=O)CC1=CC=C(O)C=C1)=O InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-16(20)18-15(17(21)22)12-13-8-10-14(19)11-9-13/h8-11,15,19H,2-7,12H2,1H3,(H,18,20)(H,21,22) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 330.168 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H25NO4 CNDGPTOBKYTGSG-UHFFFAOYSA-N CNDGPTOBKYTGSG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00011434954 CCMSLIB00005727802 520 spectra_filtered.mgf MASSBANK.mgf 0.726501 480700.0 0 71474.3 34 73.0947 1095.76 1 temp/spectra_filtered.mgf520 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 571 spectra_filtered.mgf MASSBANK.mgf 0.725312 454400.0 0 96912.3 33 99.1093 1121.78 1 temp/spectra_filtered.mgf571 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 572 spectra_filtered.mgf MASSBANK.mgf 0.725312 454400.0 0 96910.4 33 99.1074 1121.78 1 temp/spectra_filtered.mgf572 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 570 spectra_filtered.mgf MASSBANK.mgf 0.725312 454400.0 0 96899.7 33 99.0964 1121.77 1 temp/spectra_filtered.mgf570 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 385 spectra_filtered.mgf MASSBANK.mgf 0.723264 203700.0 0 17605.9 27 18.005 1004.66 1 temp/spectra_filtered.mgf385 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727067 499 spectra_filtered.mgf MASSBANK.mgf 0.721682 256100.0 0 43464.5 28 45.0592 1081.75 1 temp/spectra_filtered.mgf499 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 500 spectra_filtered.mgf MASSBANK.mgf 0.721682 256100.0 0 43466.6 28 45.0614 1081.75 1 temp/spectra_filtered.mgf500 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00005727067 419 spectra_filtered.mgf MASSBANK.mgf 0.721006 482400.0 0 1907.43 30 1.97742 1038.67 1 temp/spectra_filtered.mgf419 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 CCMSLIB00000531487 402 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.720593 251300.0 0 11609.5 22 12.0354 1024.65 1 temp/spectra_filtered.mgf402 1 Surfactin C LC-ESI Hybrid FT Other Havlicek M+H 1036.69 1035.68 1 26195308 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 3 Positive GNPS-LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000531487 CCMSLIB00012278940 607 spectra_filtered.mgf MSNLIB-POSITIVE.mgf 0.718108 218400.0 0 4093360.0 4 933.688 1161.79 1 temp/spectra_filtered.mgf607 1 2'-deoxycytidine ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+H]+ 228.098 227.091 1 N/A N/A Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1 InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N 1 Positive MSNLIB-POSITIVE 228.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H13N3O4 CKTSBUTUHBMZGZ-SHYZEUOFSA-N CKTSBUTUHBMZGZ Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Nucleosides Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012278940 CCMSLIB00005727802 574 spectra_filtered.mgf MASSBANK.mgf 0.715895 700200.0 0 97843.5 36 100.062 1122.73 1 temp/spectra_filtered.mgf574 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00004709934 121 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384888.0 10 205.993 741.195 1 temp/spectra_filtered.mgf121 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 120 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384887.0 10 205.992 741.194 1 temp/spectra_filtered.mgf120 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 119 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384888.0 10 205.993 741.195 1 temp/spectra_filtered.mgf119 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 118 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384889.0 10 205.993 741.195 1 temp/spectra_filtered.mgf118 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 117 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384889.0 10 205.993 741.195 1 temp/spectra_filtered.mgf117 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 116 spectra_filtered.mgf MONA.mgf 0.715104 52600.0 0 384889.0 10 205.993 741.195 1 temp/spectra_filtered.mgf116 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00010059335 50 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.712996 143800.0 0 132878.0 7 98.147 640.478 1 temp/spectra_filtered.mgf50 1 DGTSA(16:0/18:1); [M+H]+ C44H84N1O7 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+H 738.625 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 738.625 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:CCMSLIB00010059335 CCMSLIB00010075540 333 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.710212 12100.0 0 13191.8 4 11.963 918.812 1 temp/spectra_filtered.mgf333 1 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 906.849 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 906.849 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:CCMSLIB00010075540 CCMSLIB00010075540 332 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.710212 12100.0 0 13192.4 4 11.9635 918.812 1 temp/spectra_filtered.mgf332 1 TG(18:0/18:0/18:1); [M+NH4]+ C57H112N1O6 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 906.849 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 906.849 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:CCMSLIB00010075540 CCMSLIB00004709934 123 spectra_filtered.mgf MONA.mgf 0.709711 34800.0 0 384885.0 8 205.991 741.193 1 temp/spectra_filtered.mgf123 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 124 spectra_filtered.mgf MONA.mgf 0.709711 34800.0 0 384887.0 8 205.993 741.195 1 temp/spectra_filtered.mgf124 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709934 122 spectra_filtered.mgf MONA.mgf 0.709711 34800.0 0 384888.0 8 205.993 741.195 1 temp/spectra_filtered.mgf122 1 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018871 [M+H]+ 535.202 0.0 1 N/A N/A COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO[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/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1 N/A 3 positive MONA 535.202 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C23H34O14 ZCKITOSCNKNMMO-YQHZJLNZSA-N ZCKITOSCNKNMMO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Terpenoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709934 CCMSLIB00004709910 16 spectra_filtered.mgf MONA.mgf 0.708983 132000.0 0 290268.0 4 141.133 627.348 1 temp/spectra_filtered.mgf16 1 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF018847 [M-H]- 486.215 0.0 1 N/A N/A CC(C)CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)c2nc3ccccc3c(=O)n21 InChI=1S/C27H29N5O4/c1-14(2)12-19-25(35)32-20-11-7-5-9-17(20)27(36,26(32)30-19)13-21-23(33)28-15(3)22-29-18-10-6-4-8-16(18)24(34)31(21)22/h4-11,14-15,19,21,26,30,36H,12-13H2,1-3H3,(H,28,33) N/A 3 negative MONA 486.215 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H29N5O4 XQIGVMVJGPFNDE-UHFFFAOYSA-N XQIGVMVJGPFNDE Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Anthranilic acid alkaloids Quinazoline alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004709910 CCMSLIB00005727802 425 spectra_filtered.mgf MASSBANK.mgf 0.707851 442900.0 0 17563.2 29 17.9614 1040.63 1 temp/spectra_filtered.mgf425 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00005727802 573 spectra_filtered.mgf MASSBANK.mgf 0.706347 875300.0 0 97843.7 36 100.062 1122.73 1 temp/spectra_filtered.mgf573 1 Massbank:AC000734 Surfactin B|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclop ESI Hybrid FT Isolated Massbank Massbank M+H 1022.67 0.0 1 N/A N/A CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1 N/A 3 Positive MASSBANK 1022.67 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C52H91N7O13 DDULCZLFAKVKJB-JIXKVBNCSA-N DDULCZLFAKVKJB Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727802 CCMSLIB00000531487 418 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.706097 773100.0 0 1910.02 22 1.9801 1038.67 1 temp/spectra_filtered.mgf418 1 Surfactin C LC-ESI Hybrid FT Other Havlicek M+H 1036.69 1035.68 1 26195308 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 3 Positive GNPS-LIBRARY 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000531487 CCMSLIB00004715658 15 spectra_filtered.mgf MONA.mgf 0.705228 372500.0 0 61204.2 4 36.1819 627.35 1 temp/spectra_filtered.mgf15 1 5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF024595 [M+Na]+ 591.168 0.0 1 N/A N/A COc1cccc2cc3c(c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c12)C(C)OC3=O InChI=1S/C26H32O14/c1-9-15-11(24(34)37-9)6-10-4-3-5-12(35-2)16(10)23(15)40-26-22(33)20(31)18(29)14(39-26)8-36-25-21(32)19(30)17(28)13(7-27)38-25/h3-6,9,13-14,17-22,25-33H,7-8H2,1-2H3/t9?,13-,14-,17-,18-,19+,20+,21-,22-,25-,26+/m1/s1 N/A 3 positive MONA 591.168 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H32O14 PAEOIXITAYMQRF-BYSCJPLWSA-N PAEOIXITAYMQRF Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Naphthalenes Naphthalenes and derivatives Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004715658 CCMSLIB00005727067 549 spectra_filtered.mgf MASSBANK.mgf 0.704237 326200.0 0 70502.9 29 73.0896 1109.78 1 temp/spectra_filtered.mgf549 1 Massbank:AC000725 Surfactin C|3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyc ESI Hybrid FT Isolated Massbank Massbank M+H 1036.69 0.0 1 24730-31-2 N/A CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O 1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 N/A 3 Positive MASSBANK 1036.69 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C53H93N7O13 NJGWOFRZMQRKHT-WGVNQGGSSA-N NJGWOFRZMQRKHT Organic acids and derivatives Peptidomimetics Depsipeptides Oligopeptides Cyclic peptides|Depsipeptides|Lipopeptides Amino acids and Peptides|Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005727067 nf_output/CMMC-LIBRARY.mgf.tsv0000644000000000000000000000000114677277110014731 0ustar rootroot nf_output/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf.tsv0000644000000000000000000000000114677277110020303 0ustar rootroot nf_output/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf.tsv0000644000000000000000000000000114677277111017504 0ustar rootroot nf_output/filesummary/0000755000000000000000000000000014677277113014153 5ustar rootrootnf_output/filesummary/summaryresult.tsv0000644000000000000000000000000114677277113017634 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv0000644000000000000000000000000114677277107016360 0ustar rootroot nf_output/GNPS-LIBRARY.mgf.tsv0000644000000000000000000000000114677277120014762 0ustar rootroot nf_output/MASSBANK.mgf.tsv0000644000000000000000000000000114677277120014310 0ustar rootroot nf_output/MMV_NEGATIVE.mgf.tsv0000644000000000000000000000000114677277113015034 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-NEG.mgf.tsv0000644000000000000000000000000114677277113016423 0ustar rootroot nf_output/DRUGS-OF-ABUSE-LIBRARY.mgf.tsv0000644000000000000000000000000114677277113016240 0ustar rootroot nf_resume_cmd.sh0000644000000000000000000000121114677272443012731 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_parameters.yaml -w /data/nf_data/server/nf_work/1b1c1180d47d47debeeea7f688d989fb -with-report /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_report.html -with-timeline /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/1b1c1180d47d47debeeea7f688d989fb/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/1b1c1180d47d47debeeea7f688d989fb -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000152714677272443015103 0ustar rootrootcreate_time: 2024-10-02 09:30:27 PDT-0700 description: bcp32_3 featurefindingtool: MZMINE fragment_tolerance: '0.05' input_libraries: LIBRARYLOCATION/LC/LIBRARY input_raw_spectra: '' input_supplemental_edges: '' inputfeatures: USERUPLOAD/gerardo.dellasala/BCP32/fraz90_bcp32_3_quant.csv inputspectra: USERUPLOAD/gerardo.dellasala/BCP32/fraz90_bcp32_3.mgf library_analog_search: '1' library_min_cosine: '0.7' library_min_matched_peaks: '4' library_topk: '1' metadata_filename: '' networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '4' normalization: None pm_tolerance: '0.02' precursor_filter: '1' task: 1b1c1180d47d47debeeea7f688d989fb topology_maxcomponent: '100' topology_topk: '10' window_filter: '1' workflow_version: SERVER:2024.09.17;WORKFLOW:2024.09.30 workflowname: feature_based_molecular_networking_workflow workflowdisplay.yaml0000644000000000000000000003040214677272443013717 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