flow_filelinking.yaml0000644000000000000000000001204314652135321013764 0ustar rootroot- parameter: inputfeatures target: inputfeatures/mapp_batch_00091_quant.csv - parameter: inputspectra target: inputspectra/mapp_batch_00091.mgf - parameter: metadata_filename target: metadata_filename/mapp_batch_00091_metadata.tsv - parameter: input_libraries target: input_libraries/MMV_POSITIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf - parameter: input_libraries target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf - parameter: input_libraries target: input_libraries/BMDMS-NP.mgf - parameter: input_libraries target: input_libraries/MSNLIB-POSITIVE.mgf - parameter: input_libraries target: input_libraries/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/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-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/0000755000000000000000000000000014652135321012751 5ustar rootrootinput_libraries/MMV_POSITIVE.mgf0000777000000000000000000000000014652135321031515 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgfustar rootrootinput_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf0000777000000000000000000000000014652135321034025 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgfustar rootrootinput_libraries/PSU-MSMLS.mgf0000777000000000000000000000000014652135321030453 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgfustar rootrootinput_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf0000777000000000000000000000000014652135321036541 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgfustar rootrootinput_libraries/MIADB.mgf0000777000000000000000000000000014652135321027203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.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.mgf0000777000000000000000000000000014652135321043024 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar rootrootinput_libraries/MONA.mgf0000777000000000000000000000000014652135321027037 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgfustar rootrootinput_libraries/MASSBANKEU.mgf0000777000000000000000000000000014652135321030635 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgfustar rootrootinput_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf0000777000000000000000000000000014652135321035203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-MISC.mgf0000777000000000000000000000000014652135321033703 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf0000777000000000000000000000000014652135321035543 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf0000777000000000000000000000000014652135321034453 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgfustar rootrootinput_libraries/BILELIB19.mgf0000777000000000000000000000000014652135321030203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgfustar 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rootrootinput_libraries/GNPS-FAULKNERLEGACY.mgf0000777000000000000000000000000014652135321033255 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgfustar rootrootinput_libraries/RESPECT.mgf0000777000000000000000000000000014652135321027765 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgfustar rootrootinput_libraries/MMV_NEGATIVE.mgf0000777000000000000000000000000014652135321031415 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgfustar rootrootinput_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf0000777000000000000000000000000014652135321034373 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgfustar rootrootinput_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf0000777000000000000000000000000014652135321040205 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgfustar rootrootinput_libraries/HCE-CELL-LYSATE-LIPIDS.mgf0000777000000000000000000000000014652135321033745 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgfustar rootroot././@LongLink0000644000000000000000000000015000000000000011576 Kustar rootroot/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgfinput_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf0000777000000000000000000000000014652135321042135 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar rootrootinput_libraries/PNNL-LIPIDS-NEGATIVE.mgf0000777000000000000000000000000014652135321033435 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgfustar rootrootinput_libraries/CASMI.mgf0000777000000000000000000000000014652135321027243 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgfustar rootrootinput_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf0000777000000000000000000000000014652135321036053 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.mgfustar rootrootinput_libraries/LEAFBOT.mgf0000777000000000000000000000000014652135321027703 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgfustar rootrootinput_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf0000777000000000000000000000000014652135321040141 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf0000777000000000000000000000000014652135321034177 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgfustar rootrootinput_libraries/MSNLIB-NEGATIVE.mgf0000777000000000000000000000000014652135321032123 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgfustar rootrootinput_libraries/GNPS-LIBRARY.mgf0000777000000000000000000000000014652135321031275 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgfustar rootrootinput_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf0000777000000000000000000000000014652135321036753 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgfustar rootrootinput_libraries/PHENOLICSDB.mgf0000777000000000000000000000000014652135321031037 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgfustar rootrootinput_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf0000777000000000000000000000000014652135321037025 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgfustar rootrootinput_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf0000777000000000000000000000000014652135321035621 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/ELIXDB-LICHEN-DATABASE.mgf0000777000000000000000000000000014652135321033675 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgfustar rootrootinput_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf0000777000000000000000000000000014652135321035513 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgfustar rootrootinput_libraries/LDB_POSITIVE.mgf0000777000000000000000000000000014652135321031421 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgfustar rootrootinput_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf0000777000000000000000000000000014652135321035753 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgfustar rootrootinput_libraries/MASSBANK.mgf0000777000000000000000000000000014652135321030151 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgfustar rootrootinput_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf0000777000000000000000000000000014652135321034757 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgfustar rootrootinput_libraries/UM-NPDC.mgf0000777000000000000000000000000014652135321027661 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgfustar rootrootinput_libraries/GNPS-MSMLS.mgf0000777000000000000000000000000014652135321030653 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgfustar rootrootinput_libraries/HMDB.mgf0000777000000000000000000000000014652135321026777 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgfustar rootrootinput_libraries/NEO-MSMS.mgf0000777000000000000000000000000014652135321030147 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgfustar rootrootinput_libraries/MSNLIB-POSITIVE.mgf0000777000000000000000000000000014652135321032223 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgfustar rootrootinput_libraries/SUMNER.mgf0000777000000000000000000000000014652135321027575 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgfustar rootrootinput_libraries/GNPS-EMBL-MCF.mgf0000777000000000000000000000000014652135321031331 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgfustar rootrootinput_libraries/BERKELEY-LAB.mgf0000777000000000000000000000000014652135321031147 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgfustar rootrootinput_libraries/GNPS-IOBA-NHC.mgf0000777000000000000000000000000014652135321031325 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgfustar rootrootinput_libraries/GNPS-SCIEX-LIBRARY.mgf0000777000000000000000000000000014652135321033017 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgfustar rootrootinput_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf0000777000000000000000000000000014652135321034257 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgfustar rootrootinput_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf0000777000000000000000000000000014652135321035545 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgfustar rootrootinput_libraries/LDB_NEGATIVE.mgf0000777000000000000000000000000014652135321031321 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgfustar rootrootinput_libraries/BMDMS-NP.mgf0000777000000000000000000000000014652135321030105 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgfustar rootrootinput_libraries/CMMC-LIBRARY.mgf0000777000000000000000000000000014652135321031215 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgfustar rootrootinput_raw_spectra/0000755000000000000000000000000014652135321013307 5ustar rootrootinput_supplemental_edges/0000755000000000000000000000000014652135321014655 5ustar rootrootinputfeatures/0000755000000000000000000000000014652135321012454 5ustar rootroot././@LongLink0000644000000000000000000000014700000000000011604 Kustar rootroot/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_quant.csvinputfeatures/mapp_batch_00091_quant.csv0000777000000000000000000000000014652135321040753 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_quant.custar rootrootinputspectra/0000755000000000000000000000000014652135321012277 5ustar rootrootinputspectra/mapp_batch_00091.mgf0000777000000000000000000000000014652135321036463 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091.mgfustar rootrootjob_dag.html0000644000000000000000000002151414652135746012047 0ustar rootroot Nextflow Cytoscape.js with Dagre

Nextflow Cytoscape.js with Dagre

job_parameters.yaml0000644000000000000000000000254514652135321013445 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: a10155676345444dba86da0964c1f43f OMETAUSER: pmallard create_time: 2024-07-30 03:04:17 PDT-0700 description: FBMN_mapp_batch_00059 featurefindingtool: MZMINE fragment_tolerance: '0.1' input_libraries: /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/input_libraries input_raw_spectra: NO_FILE input_supplemental_edges: NO_FILE inputfeatures: /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/inputfeatures/mapp_batch_00091_quant.csv inputspectra: /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/inputspectra library_analog_search: '0' library_min_cosine: '0.7' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/metadata_filename/mapp_batch_00091_metadata.tsv min_peak_intensity: '0.0' networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '0.1' precursor_filter: 'yes' publishdir: /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f task: a10155676345444dba86da0964c1f43f window_filter: 'yes' workflow_version: SERVER:0.1.2;WORKFLOW:2024.06.24 workflowname: feature_based_molecular_networking_workflow job_report.html0000644000000000000000001370777714652135745012660 0ustar rootroot [extravagant_darwin] Nextflow Workflow Report

Nextflow workflow report

[extravagant_darwin]

Workflow execution completed successfully!
Run times
30-Jul-2024 10:04:20 - 30-Jul-2024 10:08:53 (duration: 4m 33s)
  136 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/a10155676345444dba86da0964c1f43f/job_parameters.yaml -w /data/nf_data/server/nf_work/a10155676345444dba86da0964c1f43f -with-report /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/a10155676345444dba86da0964c1f43f' -c /app/launchserver/nextflow.config
CPU-Hours
0.3
Launch directory
/data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f
Work directory
/data/nf_data/server/nf_work/a10155676345444dba86da0964c1f43f
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
7e0a32c1a85f47d9d7b672580d0f5461
Workflow session
e54ff85f-8879-4963-a8be-6ca25d89f9fa
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.html0000644000000000000000000107370114652135746013130 0ustar rootroot

Processes execution timeline

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

metadata_filename/0000755000000000000000000000000014652135321013176 5ustar rootroot././@LongLink0000644000000000000000000000015200000000000011600 Kustar rootroot/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_metadata.tsvmetadata_filename/mapp_batch_00091_metadata.tsv0000777000000000000000000000000014652135321042214 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_metadatustar rootrootnextflow_stdout.log0000644000000000000000000017402114652135746013551 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` [extravagant_darwin] - revision: 7e0a32c1a8 [- ] 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 > filesummary - [- ] process > quantification_table_reform... - [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [- ] process > summaryLibrary [ 0%] 0 of 12 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [- ] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (14) [- ] process > filesummary [ 0%] 0 of 1 [- ] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [5a/cc90c3] process > summaryLibrary (58) [ 0%] 0 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (34) [- ] process > filesummary [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [09/660319] process > summaryLibrary (41) [ 0%] 0 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [ 0%] 0 of 1 [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (65) [e0/ed114b] process > filesummary (1) [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [c2/85e7cc] process > summaryLibrary (9) [ 29%] 18 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (65) [e0/ed114b] process > filesummary (1) [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... 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[ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [1a/367b89] process > summaryLibrary (10) [ 56%] 35 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (65) [e0/ed114b] process > filesummary (1) [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... [ 0%] 0 of 1 [- ] process > filter_spectra - [- ] process > librarySearchData - [- ] process > librarymergeResults - [06/c41f3d] process > summaryLibrary (11) [ 70%] 44 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [- ] process > calculateGroupings - [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [59/9c0fc0] process > summaryLibrary (32) [ 77%] 48 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [ 0%] 0 of 1 [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [a6/cf2cd8] process > summaryLibrary (30) [ 80%] 50 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [72/703a67] process > summaryLibrary (13) [ 83%] 52 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [7c/4cfb9b] process > summaryLibrary (6) [ 85%] 53 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [98/923fb2] process > summaryLibrary (36) [ 87%] 54 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [a7/14d072] process > summaryLibrary (15) [ 91%] 57 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (67) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [ 0%] 0 of 1 [- ] process > librarySearchData - [- ] process > librarymergeResults - [b1/a91ca8] process > summaryLibrary (46) [ 93%] 58 of 62 [- ] process > librarygetGNPSAnnotations - [- ] process > networkingGNPSPrepParams - [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (72) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [7b/5fbe7c] process > librarySearchData (27) [ 0%] 0 of 30 [- ] process > librarymergeResults - [b1/a91ca8] process > summaryLibrary (46) [ 93%] 58 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (93) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [06/561a2a] process > librarySearchData (3) [ 0%] 0 of 62 [- ] process > librarymergeResults - [1d/4d038f] process > summaryLibrary (37) [ 95%] 59 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (114) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [9e/45b794] process > librarySearchData (49) [ 0%] 0 of 62 [- ] process > librarymergeResults - [14/2091dd] process > summaryLibrary (52) [ 96%] 60 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (130) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [34/f2a63c] process > librarySearchData (28) [ 0%] 0 of 62 [- ] process > librarymergeResults - [14/2091dd] process > summaryLibrary (52) [ 96%] 60 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (130) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [34/f2a63c] process > librarySearchData (28) [ 0%] 0 of 62 [- ] process > librarymergeResults - [14/2091dd] process > summaryLibrary (52) [ 96%] 60 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 [- ] process > calculatePairs - [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [34/f2a63c] process > librarySearchData (28) [ 0%] 0 of 62 [- ] process > librarymergeResults - [14/2091dd] process > summaryLibrary (52) [ 96%] 60 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [34/f2a63c] process > librarySearchData (28) [ 0%] 0 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [47/b5ca81] process > librarySearchData (9) [ 1%] 1 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [bd/692645] process > librarySearchData (53) [ 9%] 6 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [68/e821e1] process > librarySearchData (34) [ 11%] 7 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [69/0b3e56] process > librarySearchData (16) [ 16%] 10 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [9e/45b794] process > librarySearchData (49) [ 27%] 17 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [2f/4c179e] process > librarySearchData (24) [ 50%] 31 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1 [- ] process > filterNetwork - [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1 [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (131) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... 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[100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [c8/2265fe] process > librarySearchData (60) [ 74%] 46 of 62 [- ] process > librarymergeResults - [4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62 [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [c8/2265fe] process > librarySearchData (60) [ 74%] 46 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a9/c95a50] process > librarySearchData (45) [ 77%] 48 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [17/24c579] process > librarySearchData (47) [ 79%] 49 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [c2/48c2ab] process > librarySearchData (14) [ 80%] 50 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [c5/321202] process > librarySearchData (20) [ 82%] 51 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [82/02670a] process > librarySearchData (46) [ 83%] 52 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a5/ca148a] process > librarySearchData (15) [ 85%] 53 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [83/8152f8] process > librarySearchData (61) [ 87%] 54 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [3e/573ebe] process > librarySearchData (52) [ 88%] 55 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [1c/825cbf] process > librarySearchData (13) [ 90%] 56 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [c8/b425b9] process > librarySearchData (38) [ 91%] 57 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [86/14971b] process > librarySearchData (29) [ 93%] 58 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [68/ef9863] process > librarySearchData (6) [ 95%] 59 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [fb/9f5b58] process > librarySearchData (21) [ 96%] 60 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (132) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [df/a9ad21] process > librarySearchData (37) [ 98%] 61 of 62 [- ] process > librarymergeResults - [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (133) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [ 0%] 0 of 1 [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [- ] process > librarygetGNPSAnnotations - [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (134) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1 [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (134) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [- ] process > enrichClusterSummary - [- ] process > createNetworkGraphML - executor > local (135) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [f1/a1c24e] process > enrichClusterSummary (1) [ 0%] 0 of 1 [- ] process > createNetworkGraphML - executor > local (136) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [f1/a1c24e] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [80/11d19a] process > createNetworkGraphML (1) [ 0%] 0 of 1 executor > local (136) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [f1/a1c24e] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [80/11d19a] process > createNetworkGraphML (1) [ 0%] 0 of 1 executor > local (136) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [f1/a1c24e] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [80/11d19a] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ executor > local (136) [e0/ed114b] process > filesummary (1) [100%] 1 of 1 ✔ [5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔ [1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔ [a7/85a1eb] process > librarySearchData (7) [100%] 62 of 62 ✔ [d5/c45c5b] process > librarymergeResults [100%] 1 of 1 ✔ [07/8798c6] process > summaryLibrary (7) [100%] 62 of 62 ✔ [50/641427] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔ [01/1d2172] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔ [57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔ [6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔ [71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔ [79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔ [f1/a1c24e] process > enrichClusterSummary (1) [100%] 1 of 1 ✔ [80/11d19a] process > createNetworkGraphML (1) [100%] 1 of 1 ✔ Completed at: 30-Jul-2024 10:08:54 Duration : 4m 33s CPU hours : 0.3 Succeeded : 136 nf_cmd.sh0000644000000000000000000000120114652135321011332 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_parameters.yaml -w /data/nf_data/server/nf_work/a10155676345444dba86da0964c1f43f -with-report /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_dag.html -with-weblog http://localhost:4000/nf_weblog/a10155676345444dba86da0964c1f43f -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014652135741011607 5ustar rootrootnf_output/GNPS-SCIEX-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335015625 0ustar rootroot nf_output/PNNL-LIPIDS-NEGATIVE.mgf.tsv0000644000000000000000000000000114652135336016035 0ustar rootroot nf_output/MSNLIB-NEGATIVE.mgf.tsv0000644000000000000000000000000114652135337015271 0ustar rootroot nf_output/MMV_POSITIVE.mgf.tsv0000644000000000000000000000000114652135335015064 0ustar rootroot nf_output/DRUGS-OF-ABUSE-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335016230 0ustar rootroot nf_output/HMDB.mgf.tsv0000644000000000000000000000000114652135335013615 0ustar rootroot nf_output/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335017476 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-POS.mgf.tsv0000644000000000000000000000000114652135336016444 0ustar rootroot nf_output/NEO-MSMS.mgf.tsv0000644000000000000000000000000114652135335014301 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv0000644000000000000000000000000114652135335016345 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf.tsv0000644000000000000000000000000114652135335022116 0ustar rootroot nf_output/clustering/0000755000000000000000000000000014652135337013767 5ustar rootrootnf_output/clustering/spectra_reformatted.mgf0000644000000000000000000142446614652135337020540 0ustar rootrootBEGIN IONS SCANS=1 PEPMASS=106.0396 CHARGE=-1 COLLISION_ENERGY=0.0 51.3819 1900.0 60.5351 2500.0 64.018 17000.0 65.0131 71000.0 65.9972 4600.0 70.3079 2000.0 79.0288 13000.0 90.2648 2200.0 91.2123 2200.0 96.8886 4100.0 97.2391 2000.0 105.0319 2400.0 106.0396 500000.0 END IONS BEGIN IONS SCANS=2 PEPMASS=160.8407 CHARGE=-1 COLLISION_ENERGY=0.0 64.7943 2100.0 82.3782 1900.0 96.8902 4300.0 134.0342 2400.0 160.8408 640000.0 160.8681 3400.0 161.046 2600.0 178.4305 2000.0 179.0994 2400.0 END IONS BEGIN IONS SCANS=3 PEPMASS=162.8375 CHARGE=-1 COLLISION_ENERGY=0.0 51.541 2100.0 54.6112 2100.0 60.4884 2200.0 61.02 2500.0 63.5774 2400.0 65.0128 2300.0 82.4972 2300.0 86.4382 2400.0 96.8907 3300.0 118.9909 8000.0 162.8379 690000.0 182.9021 2500.0 END IONS BEGIN IONS SCANS=4 PEPMASS=195.8102 CHARGE=-1 COLLISION_ENERGY=0.0 61.4044 2100.0 64.7064 2100.0 65.4125 2200.0 66.9082 2000.0 75.0643 1900.0 96.8872 3400.0 103.9192 4700.0 119.8849 2300.0 125.3746 2600.0 126.662 2700.0 135.4998 2300.0 160.8406 150000.0 176.7777 2300.0 195.8101 130000.0 196.0625 3900.0 END IONS BEGIN IONS SCANS=5 PEPMASS=197.8073 CHARGE=-1 COLLISION_ENERGY=0.0 61.9867 4900.0 62.8116 2100.0 75.7756 2400.0 96.8882 7300.0 103.9182 4100.0 103.9743 2200.0 116.3377 2300.0 141.9106 7400.0 153.8986 8700.0 160.8407 130000.0 162.8377 380000.0 162.8663 3000.0 168.9568 2000.0 197.8072 170000.0 END IONS BEGIN IONS SCANS=6 PEPMASS=106.0393 CHARGE=-1 COLLISION_ENERGY=0.0 51.8783 2200.0 64.0178 7300.0 65.0129 30000.0 68.594 2000.0 73.8946 2300.0 79.0286 7100.0 89.7409 2200.0 96.8895 4500.0 98.61 2300.0 106.0394 210000.0 106.0484 2800.0 106.0496 2200.0 END IONS BEGIN IONS SCANS=7 PEPMASS=90.008 CHARGE=-1 COLLISION_ENERGY=0.0 67.2488 2000.0 70.2704 1800.0 71.9603 2500.0 90.0082 140000.0 96.8882 3300.0 END IONS BEGIN IONS SCANS=8 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 210000.0 66.1752 13000.0 68.0001 15000.0 85.0028 4100000.0 85.0134 17000.0 87.085 11000.0 91.7788 11000.0 96.8875 14000.0 END IONS BEGIN IONS SCANS=9 PEPMASS=84.9989 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 130000.0 63.9238 7600.0 64.7413 7900.0 85.0028 2700000.0 96.891 8900.0 END IONS BEGIN IONS SCANS=10 PEPMASS=260.9105 CHARGE=-1 COLLISION_ENERGY=0.0 51.2908 2400.0 51.355 2000.0 61.1904 2300.0 85.0028 52000.0 96.8887 3600.0 122.8926 14000.0 123.9002 65000.0 133.9088 43000.0 141.9113 78000.0 149.9045 3600.0 160.6167 2400.0 166.9078 3100.0 191.9026 3200.0 192.911 3800.0 193.9187 3900.0 205.9065 2900.0 209.9133 23000.0 246.6218 2400.0 264.2698 2500.0 END IONS BEGIN IONS SCANS=11 PEPMASS=84.997 CHARGE=-1 COLLISION_ENERGY=0.0 51.5414 18000.0 57.9921 300000.0 71.9871 17000.0 84.757 17000.0 85.0029 6100000.0 91.5242 21000.0 END IONS BEGIN IONS SCANS=12 PEPMASS=92.0239 CHARGE=-1 COLLISION_ENERGY=0.0 51.5431 2400.0 57.8416 2100.0 64.0055 4800.0 65.0131 490000.0 65.0264 2100.0 65.8196 2000.0 67.8588 2000.0 71.8103 2200.0 77.0437 1900.0 84.0358 2400.0 88.4732 2000.0 92.0238 130000.0 92.031 4400.0 92.032 2800.0 96.8887 2700.0 97.394 2800.0 98.9538 1900.0 END IONS BEGIN IONS SCANS=13 PEPMASS=84.999 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 150000.0 81.1659 11000.0 85.0028 3200000.0 85.0134 17000.0 96.8862 11000.0 END IONS BEGIN IONS SCANS=14 PEPMASS=90.0079 CHARGE=-1 COLLISION_ENERGY=0.0 55.6652 1800.0 69.2257 2800.0 90.0082 180000.0 92.4109 1900.0 96.8886 3000.0 END IONS BEGIN IONS SCANS=15 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 54.0667 13000.0 57.9921 210000.0 67.3881 13000.0 68.0003 17000.0 85.0029 4400000.0 96.3121 13000.0 96.8879 28000.0 END IONS BEGIN IONS SCANS=16 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 71.0123 35000.0 72.9915 6100.0 89.0229 3800.0 96.8906 3200.0 100.8517 2500.0 115.002 61000.0 132.8663 74000.0 133.0128 15000.0 133.04 3700.0 133.0509 5100.0 137.489 2300.0 END IONS BEGIN IONS SCANS=17 PEPMASS=96.9581 CHARGE=-1 COLLISION_ENERGY=0.0 60.4763 2200.0 72.5547 4800.0 78.9575 7900.0 79.9558 15000.0 96.8887 17000.0 96.9584 370000.0 109.2169 2000.0 113.5547 2100.0 END IONS BEGIN IONS SCANS=18 PEPMASS=501.3583 CHARGE=-1 COLLISION_ENERGY=0.0 50.5952 2600.0 51.9176 2600.0 54.1372 2600.0 58.3555 2400.0 59.8949 2500.0 63.4625 2700.0 65.1159 2400.0 72.6222 3700.0 78.1728 2500.0 96.8833 6300.0 96.8914 11000.0 147.184 2400.0 382.0745 2800.0 455.3539 150000.0 501.3899 2800.0 END IONS BEGIN IONS SCANS=19 PEPMASS=455.3542 CHARGE=-1 COLLISION_ENERGY=0.0 50.5925 9100.0 50.5955 100000.0 50.5974 2800.0 54.6004 2700.0 70.1803 3300.0 84.8451 2700.0 92.0915 3300.0 96.8911 4400.0 100.8071 3300.0 101.3557 2900.0 113.8366 2700.0 146.8824 3100.0 197.745 3000.0 209.3214 2800.0 300.4823 3200.0 455.222 15000.0 455.3551 2600000.0 463.6097 3400.0 END IONS BEGIN IONS SCANS=20 PEPMASS=191.0183 CHARGE=-1 COLLISION_ENERGY=0.0 50.0642 2300.0 51.5265 2500.0 57.0335 7600.0 60.2685 2200.0 62.9472 2300.0 67.0177 2200.0 76.2078 2100.0 83.6416 2300.0 85.0281 38000.0 87.0073 55000.0 87.9243 2000.0 102.9471 19000.0 111.0073 170000.0 129.018 7700.0 137.9316 2200.0 146.9371 5700.0 173.0082 2400.0 191.0191 24000.0 END IONS BEGIN IONS SCANS=21 PEPMASS=459.3466 CHARGE=-1 COLLISION_ENERGY=0.0 50.5412 2500.0 51.0366 2500.0 51.0395 5800.0 69.7914 2400.0 94.4928 2600.0 96.8873 2600.0 107.328 2300.0 112.4799 2900.0 113.9506 2500.0 133.0281 8000.0 134.0355 13000.0 135.044 14000.0 137.0234 4900.0 139.0396 2700.0 147.1104 3100.0 161.0232 31000.0 163.8236 2900.0 165.5676 3100.0 179.034 11000.0 207.8734 2600.0 208.7759 3300.0 386.0945 2400.0 459.3495 240000.0 END IONS BEGIN IONS SCANS=22 PEPMASS=431.3153 CHARGE=-1 COLLISION_ENERGY=0.0 51.5205 2300.0 83.0331 2800.0 96.8891 3500.0 102.6782 2800.0 121.0283 2900.0 133.0283 10000.0 134.0354 19000.0 135.0441 30000.0 137.0234 9600.0 139.0385 3900.0 161.023 51000.0 178.0256 2800.0 179.0338 25000.0 236.4366 2800.0 306.606 2900.0 431.3173 460000.0 END IONS BEGIN IONS SCANS=23 PEPMASS=293.1759 CHARGE=-1 COLLISION_ENERGY=0.0 61.4488 2300.0 66.2848 2300.0 71.0124 10000.0 78.7044 2300.0 96.8849 5300.0 96.8917 8700.0 101.3703 2300.0 128.0517 2500.0 136.0879 15000.0 191.1822 2800.0 192.1142 25000.0 193.1589 93000.0 220.1467 39000.0 221.1539 130000.0 236.1048 120000.0 249.1854 33000.0 293.1768 74000.0 293.2133 44000.0 302.044 2700.0 END IONS BEGIN IONS SCANS=24 PEPMASS=313.0727 CHARGE=-1 COLLISION_ENERGY=0.0 50.0477 2500.0 60.6234 2500.0 72.5871 3800.0 72.5907 3600.0 87.9484 2200.0 92.5841 2300.0 96.3461 2200.0 96.8907 14000.0 115.6255 2400.0 135.6003 3000.0 155.9144 2600.0 202.2184 2300.0 227.0354 9200.0 255.0293 87000.0 269.0454 8000.0 270.0535 75000.0 272.446 2600.0 273.139 3300.0 282.0179 8100.0 283.0256 27000.0 285.0773 7100.0 297.0405 24000.0 298.0489 320000.0 313.0723 480000.0 END IONS BEGIN IONS SCANS=25 PEPMASS=297.077 CHARGE=-1 COLLISION_ENERGY=0.0 57.2357 2200.0 61.3766 2300.0 65.9579 2400.0 72.9787 2400.0 95.8414 2200.0 96.8869 4400.0 101.349 2800.0 108.2094 2500.0 182.324 2400.0 204.0994 2300.0 211.0399 7500.0 239.0344 63000.0 254.058 46000.0 267.0295 16000.0 268.9512 2700.0 269.0821 5200.0 276.6774 2200.0 282.0179 6900.0 282.0529 170000.0 297.0425 9100.0 297.077 320000.0 297.1493 18000.0 297.2415 9300.0 306.5185 2700.0 END IONS BEGIN IONS SCANS=26 PEPMASS=431.1833 CHARGE=-1 COLLISION_ENERGY=0.0 60.459 2100.0 61.1678 2500.0 68.3071 2700.0 71.7965 2400.0 78.5742 2400.0 96.8898 4800.0 121.9349 2400.0 133.028 5300.0 134.0355 8900.0 135.0438 17000.0 137.0232 5500.0 139.0389 3000.0 161.0231 26000.0 179.034 9900.0 204.0281 2300.0 355.1694 11000.0 385.1797 11000.0 431.1893 28000.0 431.317 290000.0 END IONS BEGIN IONS SCANS=27 PEPMASS=431.153 CHARGE=-1 COLLISION_ENERGY=0.0 66.8656 2500.0 78.7693 2700.0 78.9517 2800.0 96.8932 8900.0 96.9009 2400.0 100.4091 2900.0 106.5247 2400.0 148.989 5900.0 149.7715 2500.0 205.144 4000.0 207.4129 2700.0 265.8948 2800.0 355.1422 23000.0 385.1509 48000.0 386.1537 4900.0 401.8979 3100.0 431.1526 51000.0 432.1543 8500.0 END IONS BEGIN IONS SCANS=28 PEPMASS=470.161 CHARGE=-1 COLLISION_ENERGY=0.0 54.8696 2600.0 55.2824 2400.0 77.5511 2800.0 79.8781 2600.0 84.0014 140000.0 96.898 3000.0 149.509 2600.0 158.7747 2500.0 163.3851 2600.0 198.8348 2600.0 222.0922 2500.0 355.1439 5300.0 356.3412 2600.0 385.1507 9200.0 END IONS BEGIN IONS SCANS=29 PEPMASS=267.0649 CHARGE=-1 COLLISION_ENERGY=0.0 51.518 2300.0 56.2551 2200.0 58.0683 2200.0 69.0651 2200.0 73.1862 2300.0 75.7744 2400.0 100.6278 2400.0 129.0794 2400.0 132.0196 3000.0 143.9647 2400.0 208.0528 3000.0 223.0403 8100.0 223.1661 2300.0 251.035 4200.0 252.0426 170000.0 255.7143 2900.0 267.0663 210000.0 END IONS BEGIN IONS SCANS=30 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.534 18000.0 57.9921 260000.0 63.34 13000.0 68.0 19000.0 69.1323 14000.0 74.8101 13000.0 84.9891 19000.0 85.0029 5800000.0 85.0135 36000.0 END IONS BEGIN IONS SCANS=31 PEPMASS=108.0072 CHARGE=-1 COLLISION_ENERGY=0.0 52.018 2200.0 63.9253 2000.0 64.0052 2500.0 65.0131 7700.0 65.9972 12000.0 77.5424 2400.0 80.0126 38000.0 90.0082 44000.0 96.8898 2700.0 107.9965 2700.0 108.0075 160000.0 108.0176 16000.0 END IONS BEGIN IONS SCANS=32 PEPMASS=121.0275 CHARGE=-1 COLLISION_ENERGY=0.0 58.9974 2300.0 64.3183 2300.0 64.881 1900.0 68.2917 2000.0 71.6901 2300.0 72.3294 2100.0 93.0329 5200.0 96.8882 3200.0 105.2798 2300.0 107.7821 2100.0 108.0203 7400.0 108.4975 2200.0 109.2289 2200.0 121.0042 3600.0 121.028 570000.0 125.4135 2900.0 END IONS BEGIN IONS SCANS=33 PEPMASS=141.0183 CHARGE=-1 COLLISION_ENERGY=0.0 51.5264 2400.0 65.0131 2700.0 66.5594 2000.0 68.6535 1900.0 68.9968 3400.0 71.0123 4700.0 85.0278 3100.0 89.5711 1800.0 94.6778 1800.0 96.8895 2900.0 99.0071 51000.0 110.453 2300.0 114.0083 20000.0 127.9298 3000.0 141.019 31000.0 END IONS BEGIN IONS SCANS=34 PEPMASS=242.1583 CHARGE=-1 COLLISION_ENERGY=0.0 54.8351 2400.0 68.2416 2400.0 68.9889 2700.0 94.9861 3300.0 97.6985 2600.0 99.9168 6600.0 116.5411 2400.0 116.918 3600.0 116.9859 12000.0 128.9858 7600.0 164.844 3200.0 166.9798 3200.0 167.0534 2400.0 178.9993 3400.0 181.1455 190000.0 182.149 13000.0 182.9734 9500.0 202.9782 7400.0 202.9962 3000.0 222.983 5700.0 223.0023 4200.0 224.1487 17000.0 225.1326 110000.0 225.1545 4700.0 226.1353 7100.0 242.1328 5500.0 242.1582 300000.0 242.9692 13000.0 242.99 4300.0 243.1413 24000.0 243.162 27000.0 254.6571 2300.0 END IONS BEGIN IONS SCANS=35 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 56.0095 2900.0 58.9791 3100.0 59.0792 3300.0 59.2818 2800.0 68.6845 3000.0 71.1348 3200.0 104.0241 9800.0 END IONS BEGIN IONS SCANS=36 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.881 20000.0 57.9921 340000.0 74.5515 22000.0 85.0029 7200000.0 93.9092 21000.0 96.8865 26000.0 END IONS BEGIN IONS SCANS=37 PEPMASS=200.0552 CHARGE=-1 COLLISION_ENERGY=0.0 56.16 2300.0 59.0125 170000.0 68.9967 18000.0 71.0127 10000.0 71.8277 2100.0 72.6569 2200.0 74.0212 2400.0 96.8904 2900.0 112.0387 24000.0 136.1558 2000.0 140.0341 140000.0 END IONS BEGIN IONS SCANS=38 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 53.3993 25000.0 55.7459 28000.0 57.9919 420000.0 60.459 25000.0 68.0003 27000.0 71.9507 33000.0 85.0028 9100000.0 END IONS BEGIN IONS SCANS=39 PEPMASS=187.0831 CHARGE=-1 COLLISION_ENERGY=0.0 57.029 19000.0 59.0079 5300.0 59.7312 2300.0 70.987 2700.0 71.6208 2600.0 72.0168 2600.0 83.0426 3100.0 92.9874 11000.0 95.0416 5100.0 96.8959 4900.0 97.0508 2900.0 97.0573 68000.0 98.0605 3000.0 98.9966 6300.0 99.9171 11000.0 99.9403 12000.0 99.9831 2400.0 102.9202 3400.0 102.991 5000.0 115.9106 5000.0 116.9186 6000.0 116.9858 10000.0 119.9218 6500.0 123.0712 31000.0 125.0867 720000.0 126.09 46000.0 126.9895 3100.0 141.1169 2400.0 143.0596 3500.0 143.0963 11000.0 143.8867 4800.0 143.927 4200.0 146.9942 10000.0 158.8804 3100.0 158.9743 6600.0 159.8808 4900.0 166.9798 11000.0 166.9996 3300.0 186.8416 4700.0 186.9681 9900.0 186.9849 8100.0 187.0478 4000.0 187.0831 260000.0 187.1183 4200.0 188.0861 15000.0 200.9756 2600.0 END IONS BEGIN IONS SCANS=40 PEPMASS=187.095 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 4100.0 85.0032 2200.0 89.3519 2200.0 96.8876 2900.0 97.0641 18000.0 99.9475 7000.0 113.1334 2200.0 116.1259 2300.0 117.3627 2000.0 123.0802 6900.0 125.0825 3200.0 125.0955 250000.0 141.8653 2300.0 143.1068 5200.0 145.8737 2200.0 169.0863 2300.0 183.2612 2200.0 187.0967 130000.0 END IONS BEGIN IONS SCANS=41 PEPMASS=310.9457 CHARGE=-1 COLLISION_ENERGY=0.0 51.5344 2600.0 57.6087 2200.0 63.9748 2400.0 80.5328 2100.0 80.8949 2600.0 83.9949 16000.0 85.0027 77000.0 87.9237 7000.0 96.8906 4600.0 102.9345 5400.0 103.9188 6800.0 104.9265 4700.0 105.9345 7800.0 110.0562 2400.0 111.9354 6900.0 113.9267 3100.0 115.9423 35000.0 123.9444 33000.0 124.9429 3300.0 128.9382 10000.0 129.9227 2800.0 131.9376 3100.0 133.1727 2400.0 140.9379 5200.0 147.9566 4000.0 148.941 5200.0 173.9351 4200.0 183.9451 8500.0 191.9468 15000.0 241.936 3300.0 242.9456 6600.0 243.9534 6000.0 259.9487 24000.0 310.9495 6200.0 311.1694 42000.0 316.9406 2400.0 END IONS BEGIN IONS SCANS=42 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 280000.0 58.1552 22000.0 66.5747 17000.0 73.7104 21000.0 85.0027 5400000.0 85.0133 39000.0 91.703 19000.0 96.8861 35000.0 96.8915 23000.0 END IONS BEGIN IONS SCANS=43 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 63.858 5000.0 67.2975 4600.0 71.6205 6600.0 78.5506 5800.0 86.0026 4900.0 88.4176 4800.0 104.0239 19000.0 END IONS BEGIN IONS SCANS=44 PEPMASS=103.0158 CHARGE=-1 COLLISION_ENERGY=0.0 51.5161 2000.0 59.0124 83000.0 60.4603 2100.0 75.068 2500.0 76.0051 15000.0 103.016 39000.0 112.3752 2500.0 END IONS BEGIN IONS SCANS=45 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 330000.0 59.2407 25000.0 60.0019 21000.0 65.524 26000.0 72.3791 21000.0 85.0028 7800000.0 85.0135 49000.0 94.8832 23000.0 96.8884 33000.0 END IONS BEGIN IONS SCANS=46 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.2416 3800.0 57.8762 3300.0 58.924 3600.0 95.2894 3500.0 95.6217 3900.0 98.6957 3900.0 104.024 9600.0 114.8984 4100.0 END IONS BEGIN IONS SCANS=47 PEPMASS=173.0683 CHARGE=-1 COLLISION_ENERGY=0.0 51.5685 2200.0 57.029 13000.0 59.0079 4000.0 60.4333 2200.0 66.9923 2200.0 68.9892 2600.0 73.689 2100.0 82.0279 2300.0 83.0379 4100.0 83.0426 44000.0 85.4362 2800.0 99.9169 48000.0 100.9249 14000.0 102.9908 3400.0 104.9866 20000.0 109.0567 6400.0 110.9992 6800.0 111.072 410000.0 112.0752 24000.0 115.9108 30000.0 116.9105 2500.0 116.9185 42000.0 121.4774 2000.0 124.9923 6400.0 127.1018 3100.0 127.481 2400.0 129.0814 22000.0 129.9254 2500.0 132.9797 26000.0 139.2728 2800.0 152.9846 34000.0 172.9897 5000.0 173.0685 130000.0 173.1033 3900.0 174.0579 2500.0 174.0705 11000.0 END IONS BEGIN IONS SCANS=48 PEPMASS=103.0135 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 260000.0 64.4589 2100.0 65.6111 2100.0 76.005 26000.0 76.9569 2200.0 86.3973 2000.0 86.6696 2100.0 92.3393 2300.0 95.3275 2000.0 96.8864 1800.0 103.0162 80000.0 103.0278 1900.0 103.0381 2400.0 111.8217 2000.0 END IONS BEGIN IONS SCANS=49 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 50.0022 6100.0 51.5338 7400.0 60.0156 7600.0 68.7468 5900.0 96.8884 7100.0 104.0243 15000.0 124.3608 7100.0 END IONS BEGIN IONS SCANS=50 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.4445 4500.0 51.5333 4200.0 54.5862 4000.0 63.3198 4100.0 66.9216 4000.0 68.3451 3600.0 69.0749 3500.0 73.544 3800.0 96.8891 10000.0 104.0238 13000.0 118.3159 4100.0 END IONS BEGIN IONS SCANS=51 PEPMASS=186.0991 CHARGE=-1 COLLISION_ENERGY=0.0 52.4745 2100.0 53.3863 2300.0 57.0289 32000.0 68.9891 3200.0 69.028 3600.0 70.9872 4200.0 71.0434 2800.0 83.0428 3000.0 87.9172 3800.0 92.9875 12000.0 95.0419 2600.0 96.8964 3700.0 97.0573 130000.0 97.5664 2500.0 97.9616 12000.0 98.0608 5900.0 98.9965 4800.0 99.917 6700.0 102.9912 4900.0 115.9109 4100.0 116.9852 12000.0 117.9188 3600.0 118.9168 4900.0 119.922 5200.0 123.0713 48000.0 124.0746 2500.0 125.0867 1200000.0 125.1056 9100.0 126.09 75000.0 126.9893 5300.0 138.9882 3100.0 142.112 42000.0 142.8862 3000.0 143.0959 8700.0 143.1153 2700.0 146.9945 11000.0 158.88 3900.0 158.9745 3300.0 166.9794 13000.0 166.9999 5200.0 168.0897 23000.0 178.058 3300.0 186.0991 720000.0 186.8412 4400.0 186.9677 14000.0 186.9848 11000.0 187.0831 21000.0 187.1022 56000.0 187.1183 2300.0 END IONS BEGIN IONS SCANS=52 PEPMASS=84.995 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 240000.0 71.7042 22000.0 85.0029 5800000.0 87.8961 23000.0 96.8877 44000.0 END IONS BEGIN IONS SCANS=53 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.5209 26000.0 57.9921 330000.0 68.8832 22000.0 80.1761 23000.0 85.0029 7500000.0 85.0135 44000.0 88.1924 23000.0 96.8882 28000.0 103.7606 21000.0 END IONS BEGIN IONS SCANS=54 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 57.1622 24000.0 57.9921 380000.0 61.872 24000.0 63.5179 27000.0 68.0 37000.0 83.2556 23000.0 85.0029 7100000.0 85.0135 34000.0 91.9714 30000.0 96.8888 45000.0 99.1558 27000.0 END IONS BEGIN IONS SCANS=55 PEPMASS=102.0126 CHARGE=-1 COLLISION_ENERGY=0.0 79.5436 2400.0 96.8888 3800.0 97.8138 2400.0 102.0081 32000.0 END IONS BEGIN IONS SCANS=56 PEPMASS=267.0284 CHARGE=-1 COLLISION_ENERGY=0.0 58.6156 2400.0 64.0181 2500.0 96.888 4300.0 99.6943 2400.0 136.8511 2500.0 167.0492 2700.0 211.0394 8600.0 223.0398 3300.0 239.0347 19000.0 266.0216 36000.0 266.9702 4500.0 266.9786 3500.0 267.0295 830000.0 END IONS BEGIN IONS SCANS=57 PEPMASS=109.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.5115 1800.0 55.2648 2000.0 64.0054 61000.0 65.1427 2100.0 68.894 2000.0 75.8883 1900.0 79.9999 3600.0 96.8878 3400.0 109.998 94000.0 110.0346 3700.0 END IONS BEGIN IONS SCANS=58 PEPMASS=141.0183 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 2500.0 59.0125 2000.0 65.0134 5100.0 68.9964 14000.0 69.033 3800.0 71.0124 21000.0 72.9917 2800.0 73.0283 10000.0 77.3095 2100.0 79.1673 2400.0 85.0281 13000.0 90.009 2100.0 90.3983 2000.0 96.886 3200.0 96.8914 2900.0 98.9977 2600.0 99.0071 180000.0 101.3472 2600.0 102.1057 2100.0 113.0231 9900.0 114.0082 56000.0 127.9303 6200.0 140.9386 5100.0 141.0189 66000.0 END IONS BEGIN IONS SCANS=59 PEPMASS=99.0067 CHARGE=-1 COLLISION_ENERGY=0.0 50.0029 2400.0 51.7292 1900.0 71.0123 19000.0 72.9917 9400.0 82.4093 2200.0 98.9542 5000.0 99.0071 22000.0 99.0181 27000.0 END IONS BEGIN IONS SCANS=60 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 53.3678 2400.0 59.0125 200000.0 60.9525 2000.0 76.005 26000.0 96.8888 9500.0 103.016 64000.0 103.0276 2200.0 106.2355 1900.0 120.0274 2200.0 END IONS BEGIN IONS SCANS=61 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 51.5153 5100.0 57.7145 4300.0 60.5526 4300.0 65.9034 4900.0 86.5764 5100.0 96.887 9200.0 104.024 15000.0 119.3021 4500.0 END IONS BEGIN IONS SCANS=62 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 53.1953 2200.0 55.3003 2000.0 61.3839 2400.0 61.4491 2000.0 65.0131 850000.0 68.4059 2100.0 80.8879 2100.0 96.8912 3500.0 102.9722 2600.0 118.991 3500.0 162.8385 9300.0 END IONS BEGIN IONS SCANS=63 PEPMASS=310.9456 CHARGE=-9 COLLISION_ENERGY=0.0 191.946 9100.0 259.9485 8200.0 281.0073 3100.0 296.033 11000.0 311.0567 12000.0 311.1677 28000.0 741.124 2800.0 1799.512 3000.0 END IONS BEGIN IONS SCANS=64 PEPMASS=172.0843 CHARGE=-1 COLLISION_ENERGY=0.0 51.5444 2900.0 57.0289 19000.0 58.0241 4900.0 60.491 2700.0 66.9925 2500.0 78.8886 2300.0 81.027 4600.0 82.9866 3500.0 83.0426 64000.0 84.0461 4000.0 89.0099 2400.0 92.9877 3000.0 96.8937 2900.0 99.9171 8500.0 100.9176 2800.0 102.9907 3200.0 104.9865 26000.0 107.5398 2500.0 109.0565 8100.0 110.9992 8200.0 111.0562 3200.0 111.072 630000.0 112.0751 35000.0 114.9238 5600.0 115.9108 4800.0 124.9916 4200.0 127.102 2800.0 128.0885 4600.0 128.0973 53000.0 129.0815 20000.0 132.9796 31000.0 134.8546 3800.0 152.9846 35000.0 153.0038 3600.0 154.0745 15000.0 155.0592 3500.0 158.5701 2300.0 171.933 3400.0 172.0843 350000.0 172.9901 8100.0 173.0684 16000.0 173.0877 30000.0 178.389 3300.0 END IONS BEGIN IONS SCANS=65 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.1528 6600.0 54.648 7300.0 56.3325 7400.0 76.0256 7300.0 82.6785 7900.0 96.8877 8800.0 104.0241 23000.0 121.5279 7700.0 END IONS BEGIN IONS SCANS=66 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 56.8924 26000.0 57.9921 320000.0 85.0028 7100000.0 85.0135 47000.0 96.8887 39000.0 END IONS BEGIN IONS SCANS=67 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 50.8573 20000.0 54.3055 18000.0 57.9922 340000.0 64.6154 23000.0 71.6175 19000.0 84.9926 36000.0 84.994 26000.0 85.0029 7500000.0 95.9752 20000.0 100.3988 22000.0 END IONS BEGIN IONS SCANS=68 PEPMASS=84.9961 CHARGE=-1 COLLISION_ENERGY=0.0 51.5308 20000.0 56.0673 18000.0 57.992 250000.0 69.7114 20000.0 78.7649 21000.0 79.138 20000.0 85.0029 5600000.0 85.0134 39000.0 90.8303 18000.0 96.8882 21000.0 END IONS BEGIN IONS SCANS=69 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 52.9098 25000.0 52.9923 22000.0 56.4399 22000.0 57.992 450000.0 58.5007 26000.0 66.4588 24000.0 68.0004 30000.0 81.9451 23000.0 84.0086 25000.0 85.0028 9000000.0 85.0133 44000.0 96.8902 36000.0 END IONS BEGIN IONS SCANS=70 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.3474 20000.0 51.516 20000.0 52.1597 19000.0 57.9922 320000.0 68.0004 22000.0 77.9184 22000.0 85.0029 6400000.0 88.0722 22000.0 96.8889 24000.0 END IONS BEGIN IONS SCANS=71 PEPMASS=145.0485 CHARGE=-1 COLLISION_ENERGY=0.0 52.3758 2100.0 55.464 2200.0 56.5608 2000.0 57.3134 1900.0 60.4817 2000.0 66.1119 2300.0 67.0543 2000.0 83.0486 18000.0 97.9524 2000.0 101.0592 99000.0 112.0813 2300.0 127.0391 3500.0 145.0134 2600.0 145.025 3200.0 145.0493 25000.0 153.6031 2500.0 END IONS BEGIN IONS SCANS=72 PEPMASS=104.0279 CHARGE=-1 COLLISION_ENERGY=0.0 51.5084 5800.0 53.2826 6300.0 58.0733 5200.0 63.4355 5200.0 68.3874 5800.0 73.399 5400.0 74.0546 5300.0 74.4342 5300.0 92.0295 6700.0 104.0242 18000.0 END IONS BEGIN IONS SCANS=73 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 51.4627 7000.0 51.5234 7700.0 54.5957 8500.0 56.1057 7500.0 60.0159 7600.0 60.5541 6400.0 61.4937 8900.0 61.7314 5900.0 62.4278 7100.0 62.9 6400.0 69.5085 7000.0 70.4971 7500.0 71.146 6400.0 96.8882 11000.0 104.024 13000.0 111.7597 7000.0 END IONS BEGIN IONS SCANS=74 PEPMASS=128.0105 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 2900.0 70.1073 2100.0 73.3496 2000.0 76.0051 7300.0 90.7883 2400.0 92.3662 2100.0 96.8896 3100.0 102.0079 4600.0 128.011 330000.0 END IONS BEGIN IONS SCANS=75 PEPMASS=310.9468 CHARGE=-1 COLLISION_ENERGY=0.0 51.5014 3000.0 53.9177 2400.0 60.3443 2200.0 60.4666 2000.0 64.8958 2200.0 83.9947 14000.0 85.0027 72000.0 87.9238 7700.0 96.8876 9900.0 96.8954 2300.0 101.8668 2300.0 102.9346 4400.0 103.919 5700.0 104.9266 7800.0 105.9342 7600.0 106.2087 2500.0 106.942 2400.0 111.9347 3100.0 113.203 2700.0 115.9422 35000.0 123.9444 27000.0 124.9427 3000.0 128.9382 9500.0 129.9449 2300.0 140.9379 3300.0 147.957 3300.0 148.9406 5300.0 150.1266 2400.0 173.9351 4300.0 181.2829 2200.0 183.9444 11000.0 191.9462 20000.0 194.5005 2400.0 241.9392 2600.0 242.9465 7500.0 243.9534 6100.0 259.9467 29000.0 310.9478 6100.0 311.1694 40000.0 END IONS BEGIN IONS SCANS=76 PEPMASS=103.0138 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 4800.0 58.0244 2800.0 59.0126 320000.0 63.7145 1900.0 67.3599 2100.0 76.0052 40000.0 84.1204 1900.0 88.0051 2900.0 96.8877 3000.0 103.0162 88000.0 103.028 3500.0 121.5507 2600.0 END IONS BEGIN IONS SCANS=77 PEPMASS=93.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.5346 2600.0 56.2958 2100.0 56.7945 2000.0 64.0051 18000.0 65.0131 290000.0 65.997 130000.0 66.009 2200.0 66.0162 6400.0 75.0755 2100.0 92.9959 3400.0 93.0079 610000.0 93.019 17000.0 93.0268 4700.0 96.8892 3000.0 END IONS BEGIN IONS SCANS=78 PEPMASS=90.0078 CHARGE=-1 COLLISION_ENERGY=0.0 77.8513 2100.0 90.0082 290000.0 94.3082 2100.0 96.8897 3500.0 98.9296 2000.0 END IONS BEGIN IONS SCANS=79 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 52.1036 2800.0 53.0921 2300.0 68.0249 2700.0 71.9539 3600.0 91.4763 2400.0 92.6026 2200.0 96.6159 2300.0 96.8875 2500.0 102.008 34000.0 107.0304 2500.0 107.4852 2600.0 113.7034 2700.0 END IONS BEGIN IONS SCANS=80 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.4415 4900.0 51.1074 4400.0 53.3393 4600.0 55.1482 4400.0 56.0036 4800.0 56.2251 4300.0 57.7924 3900.0 57.936 3900.0 58.6387 3800.0 58.7869 3700.0 59.0127 5100.0 60.0126 4800.0 60.2846 3900.0 61.8766 4100.0 62.7504 4300.0 64.258 3700.0 64.2803 4500.0 65.4141 4900.0 65.8463 4500.0 65.869 4800.0 66.6001 4900.0 66.6999 4000.0 67.012 4300.0 67.0207 5400.0 68.2305 4500.0 68.3271 4300.0 71.147 4500.0 71.6618 5000.0 73.6481 4700.0 75.032 4700.0 76.5729 4000.0 76.7493 4200.0 76.9926 5500.0 82.5277 4000.0 83.715 4400.0 90.3503 4200.0 93.3692 4400.0 93.5332 4000.0 94.1251 4300.0 94.4947 4300.0 96.8871 5100.0 96.9714 3900.0 97.9511 4600.0 99.1623 4500.0 99.4158 5200.0 103.345 4800.0 104.0241 17000.0 104.0961 4100.0 109.0748 5100.0 109.2776 4200.0 109.7877 4000.0 109.8484 4000.0 110.7506 4500.0 111.0563 4300.0 111.6158 5100.0 112.8831 5100.0 113.1494 4500.0 113.7478 4000.0 115.0932 4000.0 115.1304 4300.0 123.8903 5000.0 124.2666 4400.0 END IONS BEGIN IONS SCANS=81 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.4204 25000.0 57.9921 400000.0 60.4582 30000.0 64.9474 22000.0 66.4949 22000.0 76.6932 23000.0 80.1743 24000.0 85.0028 7700000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 55.8539 29000.0 57.9921 390000.0 67.9999 40000.0 85.0029 8500000.0 85.0135 51000.0 92.5684 31000.0 96.889 36000.0 END IONS BEGIN IONS SCANS=83 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.1435 9800.0 58.6055 11000.0 60.4727 11000.0 62.2837 14000.0 71.9646 13000.0 91.6383 9600.0 96.8907 16000.0 100.7838 12000.0 104.0237 20000.0 120.1956 10000.0 END IONS BEGIN IONS SCANS=84 PEPMASS=163.0239 CHARGE=-1 COLLISION_ENERGY=0.0 53.1663 2100.0 53.5677 1900.0 53.8574 2300.0 55.802 2200.0 64.6315 1900.0 65.0061 3200.0 65.0132 570000.0 65.0204 3000.0 93.9492 2300.0 107.8549 2400.0 118.9913 3000.0 119.0484 44000.0 136.4955 2200.0 158.7954 2100.0 162.8377 13000.0 163.0393 5200.0 176.3652 2400.0 END IONS BEGIN IONS SCANS=85 PEPMASS=103.0157 CHARGE=-1 COLLISION_ENERGY=0.0 51.5359 2400.0 59.0123 76000.0 59.3584 1900.0 75.1388 2600.0 76.0049 28000.0 76.7678 1900.0 87.2967 1800.0 93.0869 1900.0 103.0159 52000.0 103.028 3400.0 103.81 2100.0 114.5351 2300.0 120.0307 2100.0 124.1151 2200.0 END IONS BEGIN IONS SCANS=86 PEPMASS=109.9975 CHARGE=-1 COLLISION_ENERGY=0.0 64.0053 76000.0 65.6777 1800.0 68.0126 2200.0 70.5765 2000.0 80.0 4700.0 90.1054 2100.0 96.8888 4400.0 97.1329 1900.0 100.6711 2200.0 106.7391 2100.0 109.9979 94000.0 110.0344 5600.0 122.4831 2000.0 END IONS BEGIN IONS SCANS=87 PEPMASS=102.0085 CHARGE=-1 COLLISION_ENERGY=0.0 53.7844 4000.0 54.3594 4200.0 85.4851 4600.0 96.2931 4000.0 96.8876 8200.0 102.008 51000.0 116.9767 4100.0 END IONS BEGIN IONS SCANS=88 PEPMASS=103.015 CHARGE=-1 COLLISION_ENERGY=0.0 56.1272 2200.0 59.0126 250000.0 71.2141 2500.0 76.0051 35000.0 96.889 2400.0 103.0162 95000.0 103.0281 3200.0 END IONS BEGIN IONS SCANS=89 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 60.3461 8000.0 60.4758 7900.0 61.4802 7300.0 69.618 7500.0 104.0241 19000.0 109.2417 6800.0 113.031 6800.0 END IONS BEGIN IONS SCANS=90 PEPMASS=102.0123 CHARGE=-1 COLLISION_ENERGY=0.0 59.194 1800.0 85.9421 1900.0 89.3254 1900.0 101.932 2200.0 102.0081 34000.0 115.285 2200.0 END IONS BEGIN IONS SCANS=91 PEPMASS=103.0125 CHARGE=-1 COLLISION_ENERGY=0.0 50.8257 2100.0 59.0124 140000.0 60.6158 2100.0 62.4401 2000.0 62.5012 1800.0 68.5914 2000.0 76.0048 34000.0 78.8265 1900.0 96.8892 4200.0 103.016 82000.0 103.028 2300.0 END IONS BEGIN IONS SCANS=92 PEPMASS=105.0265 CHARGE=-1 COLLISION_ENERGY=0.0 51.5221 2200.0 51.525 2100.0 53.6918 2200.0 54.7537 2000.0 60.4685 1800.0 61.0166 2200.0 62.0119 2200.0 74.7336 2300.0 91.9788 2200.0 92.1026 1900.0 96.8901 4100.0 104.0813 1800.0 105.0268 2400.0 END IONS BEGIN IONS SCANS=93 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 51.2618 27000.0 51.5264 28000.0 57.9921 510000.0 68.0004 29000.0 83.5263 27000.0 85.0028 9800000.0 85.0134 60000.0 96.8863 25000.0 102.5386 24000.0 END IONS BEGIN IONS SCANS=94 PEPMASS=141.0185 CHARGE=-1 COLLISION_ENERGY=0.0 55.2917 2000.0 57.504 1900.0 65.0131 18000.0 68.0481 2100.0 90.0077 3800.0 96.8893 2500.0 114.0081 130000.0 127.9298 9000.0 140.9382 4300.0 141.019 100000.0 151.9639 2300.0 END IONS BEGIN IONS SCANS=95 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 550000.0 61.3897 26000.0 68.0003 49000.0 71.1131 28000.0 85.0029 11000000.0 96.8904 53000.0 END IONS BEGIN IONS SCANS=96 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 52.9186 2000.0 61.7697 2000.0 67.2486 2100.0 87.6769 1800.0 98.693 2000.0 102.0083 18000.0 102.9018 2000.0 117.6023 2100.0 117.6225 2400.0 END IONS BEGIN IONS SCANS=97 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 380000.0 60.4636 32000.0 85.0028 8000000.0 96.8873 31000.0 END IONS BEGIN IONS SCANS=98 PEPMASS=219.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.2113 2000.0 57.0335 10000.0 59.0118 2500.0 67.0495 1900.0 71.0122 17000.0 72.9915 2300.0 73.028 2400.0 83.0125 5400.0 85.028 7000.0 96.8872 4100.0 99.0072 20000.0 111.0072 13000.0 112.9864 4700.0 113.4965 2300.0 120.0148 2200.0 123.2596 2100.0 129.0177 13000.0 132.8732 2200.0 167.2263 2400.0 173.2075 2300.0 173.9373 2200.0 191.2695 2500.0 END IONS BEGIN IONS SCANS=99 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 60.3461 8000.0 60.4758 7900.0 61.4802 7300.0 69.618 7500.0 104.0241 19000.0 109.2417 6800.0 113.031 6800.0 END IONS BEGIN IONS SCANS=100 PEPMASS=219.0141 CHARGE=-1 COLLISION_ENERGY=0.0 55.018 2700.0 57.0332 16000.0 67.0175 2700.0 68.997 2200.0 71.0123 20000.0 73.028 5500.0 83.0123 6000.0 85.0278 8600.0 96.8878 3200.0 97.2438 2100.0 99.0073 30000.0 101.6465 2100.0 107.4835 2400.0 111.0074 17000.0 129.0177 22000.0 180.0937 2600.0 205.7433 2200.0 END IONS BEGIN IONS SCANS=101 PEPMASS=102.014 CHARGE=-1 COLLISION_ENERGY=0.0 59.6602 2200.0 60.5136 2300.0 63.057 2100.0 83.1184 1900.0 96.8904 3300.0 102.0081 31000.0 111.4367 2000.0 112.0829 2400.0 END IONS BEGIN IONS SCANS=102 PEPMASS=84.9936 CHARGE=-1 COLLISION_ENERGY=0.0 51.083 27000.0 57.855 26000.0 57.9921 450000.0 67.7301 26000.0 68.0001 31000.0 85.0029 8300000.0 85.0135 36000.0 96.888 29000.0 END IONS BEGIN IONS SCANS=103 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.4415 4900.0 51.1074 4400.0 53.3393 4600.0 55.1482 4400.0 56.0036 4800.0 56.2251 4300.0 57.7924 3900.0 57.936 3900.0 58.6387 3800.0 58.7869 3700.0 59.0127 5100.0 60.0126 4800.0 60.2846 3900.0 61.8766 4100.0 62.7504 4300.0 64.258 3700.0 64.2803 4500.0 65.4141 4900.0 65.8463 4500.0 65.869 4800.0 66.6001 4900.0 66.6999 4000.0 67.012 4300.0 67.0207 5400.0 68.2305 4500.0 68.3271 4300.0 71.147 4500.0 71.6618 5000.0 73.6481 4700.0 75.032 4700.0 76.5729 4000.0 76.7493 4200.0 76.9926 5500.0 82.5277 4000.0 83.715 4400.0 90.3503 4200.0 93.3692 4400.0 93.5332 4000.0 94.1251 4300.0 94.4947 4300.0 96.8871 5100.0 96.9714 3900.0 97.9511 4600.0 99.1623 4500.0 99.4158 5200.0 103.345 4800.0 104.0241 17000.0 104.0961 4100.0 109.0748 5100.0 109.2776 4200.0 109.7877 4000.0 109.8484 4000.0 110.7506 4500.0 111.0563 4300.0 111.6158 5100.0 112.8831 5100.0 113.1494 4500.0 113.7478 4000.0 115.0932 4000.0 115.1304 4300.0 123.8903 5000.0 124.2666 4400.0 END IONS BEGIN IONS SCANS=104 PEPMASS=84.9971 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 440000.0 65.0681 29000.0 68.0 29000.0 77.3403 26000.0 79.2594 28000.0 85.0028 7300000.0 86.4032 22000.0 96.8898 36000.0 END IONS BEGIN IONS SCANS=105 PEPMASS=102.0147 CHARGE=-1 COLLISION_ENERGY=0.0 50.411 2300.0 67.6909 2200.0 79.7134 2400.0 85.1943 2800.0 92.7388 2700.0 102.0082 46000.0 107.4757 2500.0 END IONS BEGIN IONS SCANS=106 PEPMASS=103.0137 CHARGE=-1 COLLISION_ENERGY=0.0 51.5178 2400.0 54.9413 1800.0 59.0126 310000.0 68.2635 2500.0 76.0051 32000.0 88.004 2300.0 96.8864 2200.0 103.0161 85000.0 103.0276 2500.0 110.6334 2000.0 END IONS BEGIN IONS SCANS=107 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5595 9900.0 87.6356 12000.0 96.8855 12000.0 96.8912 26000.0 104.0241 21000.0 107.2935 12000.0 117.4918 11000.0 END IONS BEGIN IONS SCANS=108 PEPMASS=102.0117 CHARGE=-1 COLLISION_ENERGY=0.0 56.4465 2700.0 67.1326 2700.0 73.188 4700.0 94.6943 3000.0 96.8876 13000.0 102.0081 47000.0 107.7 3200.0 115.0499 2800.0 END IONS BEGIN IONS SCANS=109 PEPMASS=103.0154 CHARGE=-1 COLLISION_ENERGY=0.0 50.852 2000.0 52.629 1900.0 59.0125 160000.0 60.0302 1800.0 67.7156 2000.0 74.1542 2000.0 76.0051 29000.0 83.8242 2000.0 86.8175 2000.0 93.3002 1900.0 96.889 3700.0 100.4929 2000.0 101.0209 2300.0 103.006 2000.0 103.0162 82000.0 103.028 3600.0 108.1657 2100.0 END IONS BEGIN IONS SCANS=110 PEPMASS=103.0139 CHARGE=-1 COLLISION_ENERGY=0.0 50.0729 2000.0 57.2738 2000.0 58.3505 1800.0 59.0082 2900.0 59.0089 3600.0 59.0125 200000.0 65.7875 2100.0 76.0052 21000.0 93.2802 2200.0 96.8882 3000.0 98.0172 2800.0 103.0161 69000.0 103.0271 2600.0 END IONS BEGIN IONS SCANS=111 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 54.0928 26000.0 54.4179 24000.0 57.9921 490000.0 68.0002 32000.0 71.9448 31000.0 85.0028 10000000.0 85.0136 58000.0 89.5451 27000.0 END IONS BEGIN IONS SCANS=112 PEPMASS=163.0239 CHARGE=-1 COLLISION_ENERGY=0.0 52.4925 2300.0 65.0061 8200.0 65.0132 1200000.0 65.0188 7200.0 65.0203 8500.0 66.7248 2100.0 88.2144 2200.0 91.5067 2200.0 118.9909 6700.0 END IONS BEGIN IONS SCANS=113 PEPMASS=104.0328 CHARGE=-1 COLLISION_ENERGY=0.0 51.0079 8700.0 53.0077 7400.0 59.7381 8400.0 67.2972 8600.0 73.6555 8300.0 96.8912 8700.0 104.0238 28000.0 END IONS BEGIN IONS SCANS=114 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 85.0029 10000000.0 85.0135 63000.0 96.8895 42000.0 END IONS BEGIN IONS SCANS=115 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 51.3292 21000.0 51.5118 25000.0 56.2046 23000.0 57.9921 330000.0 59.6257 22000.0 62.821 22000.0 85.0029 7600000.0 85.0135 38000.0 88.2615 21000.0 89.2461 23000.0 96.8888 32000.0 END IONS BEGIN IONS SCANS=116 PEPMASS=130.0486 CHARGE=-1 COLLISION_ENERGY=0.0 51.0247 2100.0 53.2558 2300.0 53.7093 1900.0 63.2733 2100.0 75.8743 2000.0 77.9118 2100.0 88.0388 21000.0 103.0289 7700.0 130.0396 45000.0 END IONS BEGIN IONS SCANS=117 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 52.3475 6300.0 59.4161 6000.0 60.9236 8300.0 62.2433 6500.0 96.89 8600.0 104.0242 19000.0 114.0899 7000.0 END IONS BEGIN IONS SCANS=118 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 52.1466 6200.0 60.1606 6400.0 96.8881 9200.0 101.0901 6200.0 101.3921 6300.0 104.0248 11000.0 END IONS BEGIN IONS SCANS=119 PEPMASS=343.115 CHARGE=-1 COLLISION_ENERGY=0.0 53.9731 2300.0 59.008 9000.0 68.9887 2200.0 71.0071 9300.0 73.0226 7900.0 85.0217 7800.0 87.1087 2600.0 94.0916 2200.0 96.8951 9900.0 101.0156 21000.0 113.0144 4000.0 114.3047 2500.0 116.5311 2800.0 141.0485 2600.0 163.048 44000.0 219.279 2500.0 238.982 2400.0 297.1127 110000.0 298.1161 17000.0 END IONS BEGIN IONS SCANS=120 PEPMASS=93.0078 CHARGE=-1 COLLISION_ENERGY=0.0 50.7038 1900.0 57.5944 2400.0 64.0053 15000.0 65.0132 290000.0 65.9971 120000.0 66.0163 4600.0 74.7513 2100.0 92.6492 2000.0 93.0081 630000.0 93.0193 10000.0 93.0269 4800.0 103.3599 2600.0 END IONS BEGIN IONS SCANS=121 PEPMASS=103.0154 CHARGE=-1 COLLISION_ENERGY=0.0 57.0223 2200.0 59.0082 2600.0 59.009 4100.0 59.0125 220000.0 72.1306 1900.0 76.0051 38000.0 79.0 1900.0 91.9846 2300.0 96.889 3400.0 103.016 86000.0 103.027 1900.0 END IONS BEGIN IONS SCANS=122 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 50.3427 12000.0 56.6731 10000.0 63.8898 9500.0 64.6719 11000.0 71.959 12000.0 74.6092 12000.0 84.4852 9100.0 96.8893 22000.0 102.3333 11000.0 104.024 22000.0 END IONS BEGIN IONS SCANS=123 PEPMASS=104.0291 CHARGE=-1 COLLISION_ENERGY=0.0 50.2781 4200.0 50.3018 3800.0 50.622 4000.0 51.2792 5000.0 51.5386 4700.0 52.043 4400.0 52.7778 4500.0 53.0801 4700.0 53.4072 5000.0 53.4338 4400.0 54.4717 4200.0 55.293 4300.0 55.3097 4400.0 56.545 5100.0 57.8027 4300.0 58.1823 4200.0 58.2679 4300.0 59.5412 5300.0 60.0157 4100.0 61.3999 4500.0 62.5304 4200.0 62.6571 3800.0 62.8895 4900.0 64.0811 3900.0 64.6259 3900.0 65.7631 4200.0 67.353 4300.0 68.0944 4700.0 70.2006 4900.0 72.5683 4500.0 72.806 4300.0 73.1557 4800.0 75.899 5000.0 79.6755 4000.0 80.5307 4800.0 83.4342 4600.0 83.5453 3900.0 86.3588 4500.0 88.6338 4200.0 89.0145 4600.0 89.8844 4000.0 91.222 4300.0 92.6514 4500.0 92.9815 4700.0 93.4095 4600.0 93.4646 4200.0 94.6984 4000.0 97.8681 4400.0 101.7309 4600.0 103.6806 4200.0 104.024 20000.0 104.2471 4600.0 104.4121 4600.0 107.1555 4000.0 112.496 4700.0 113.8572 4500.0 115.9551 4900.0 122.719 4800.0 END IONS BEGIN IONS SCANS=124 PEPMASS=104.0329 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=125 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.0474 25000.0 54.5434 28000.0 55.7168 25000.0 57.9921 460000.0 66.6617 34000.0 68.0002 49000.0 69.3693 29000.0 76.1156 30000.0 84.9921 79000.0 84.9939 36000.0 85.0028 10000000.0 85.0132 41000.0 96.8903 36000.0 101.7476 28000.0 END IONS BEGIN IONS SCANS=126 PEPMASS=84.9996 CHARGE=-1 COLLISION_ENERGY=0.0 51.5363 26000.0 57.9921 400000.0 67.9999 39000.0 76.0986 27000.0 85.0027 7700000.0 85.4009 25000.0 96.8914 27000.0 END IONS BEGIN IONS SCANS=127 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 51.0507 1600.0 51.3953 1900.0 52.2958 1500.0 53.3908 1400.0 53.4938 1500.0 53.7339 1400.0 53.8909 1700.0 54.4547 1800.0 54.7768 1300.0 54.8751 2000.0 55.4141 1700.0 56.1018 1600.0 56.3075 1700.0 56.4919 1700.0 58.2725 1600.0 58.4678 1500.0 58.9307 1600.0 59.1141 1700.0 59.1641 1500.0 59.3855 1600.0 59.8318 1400.0 60.3504 1600.0 61.0168 1700.0 61.0795 1400.0 61.4456 1900.0 61.9069 1700.0 62.0206 1700.0 62.8356 2000.0 62.9095 1600.0 63.4058 1600.0 64.9921 1300.0 66.5095 1900.0 67.9171 1600.0 68.0906 1900.0 69.0946 1700.0 69.2592 1600.0 69.263 1600.0 69.9417 1600.0 70.8812 1600.0 71.9439 1900.0 72.0591 1500.0 72.2867 1700.0 72.377 1900.0 76.6771 2000.0 83.5047 1600.0 85.286 2000.0 86.4004 1600.0 87.5964 1800.0 87.8442 1700.0 90.6489 1600.0 92.0557 1700.0 93.8223 2100.0 95.3531 1900.0 95.9223 1800.0 96.887 3400.0 103.1865 2200.0 105.0261 1700.0 105.5918 1500.0 105.6084 1700.0 105.6565 1400.0 107.515 1400.0 110.4644 1600.0 112.5101 1700.0 115.8346 1500.0 116.3328 1800.0 116.9312 1900.0 116.9656 1800.0 117.8421 1600.0 118.3634 1600.0 121.6114 1500.0 122.8121 1900.0 123.6135 1900.0 124.8316 1900.0 END IONS BEGIN IONS SCANS=128 PEPMASS=102.0119 CHARGE=-1 COLLISION_ENERGY=0.0 52.9061 2300.0 56.9275 2200.0 59.0128 2400.0 63.9219 2200.0 65.7771 2800.0 74.5665 2200.0 76.3403 1900.0 76.8645 2400.0 96.8886 3400.0 102.0082 31000.0 108.2868 2200.0 END IONS BEGIN IONS SCANS=129 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 51.5299 28000.0 57.9921 360000.0 58.4856 22000.0 65.9355 23000.0 67.0459 23000.0 68.0001 32000.0 73.5578 20000.0 85.0028 7300000.0 END IONS BEGIN IONS SCANS=130 PEPMASS=89.0226 CHARGE=-1 COLLISION_ENERGY=0.0 50.2694 2000.0 52.4836 2000.0 53.5002 2500.0 54.3067 2000.0 58.5191 2100.0 61.0287 2100.0 62.0021 5200.0 63.0963 2300.0 71.0123 9100.0 71.3056 2300.0 87.0071 4000.0 89.0133 73000.0 89.0229 240000.0 90.0081 2400.0 93.7929 1900.0 END IONS BEGIN IONS SCANS=131 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 65.0061 8100.0 65.0131 1100000.0 83.148 2300.0 91.4782 2300.0 92.3813 2300.0 96.8876 3400.0 118.9911 3300.0 154.6559 2600.0 162.8377 23000.0 END IONS BEGIN IONS SCANS=132 PEPMASS=85.0062 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 400000.0 68.0004 25000.0 84.992 56000.0 85.0028 8100000.0 96.89 24000.0 END IONS BEGIN IONS SCANS=133 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.2197 29000.0 57.992 470000.0 67.6319 29000.0 67.9999 31000.0 71.4174 32000.0 82.4986 30000.0 83.9224 36000.0 85.0029 9400000.0 87.1793 30000.0 END IONS BEGIN IONS SCANS=134 PEPMASS=102.0144 CHARGE=-1 COLLISION_ENERGY=0.0 51.383 2900.0 51.5233 3900.0 53.4163 2900.0 63.622 2800.0 81.229 3300.0 102.0082 30000.0 END IONS BEGIN IONS SCANS=135 PEPMASS=103.0136 CHARGE=-1 COLLISION_ENERGY=0.0 58.5952 1900.0 59.0126 320000.0 61.6239 1800.0 68.7883 1900.0 75.8944 1800.0 76.0049 31000.0 85.225 2000.0 88.5766 2200.0 94.9572 1800.0 96.8893 3400.0 103.0161 87000.0 103.0281 2700.0 108.554 2100.0 END IONS BEGIN IONS SCANS=136 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 50.6757 28000.0 57.9919 450000.0 67.9999 37000.0 84.992 48000.0 85.0027 9300000.0 96.8896 42000.0 END IONS BEGIN IONS SCANS=137 PEPMASS=130.0487 CHARGE=-1 COLLISION_ENERGY=0.0 54.7842 2100.0 87.0437 2100.0 96.6368 2100.0 96.8902 2300.0 97.9821 2300.0 99.5154 2200.0 100.0395 3400.0 103.0149 1800.0 103.0285 10000.0 106.9948 1900.0 130.0396 38000.0 149.6288 2000.0 END IONS BEGIN IONS SCANS=138 PEPMASS=89.0225 CHARGE=-1 COLLISION_ENERGY=0.0 51.5393 2100.0 55.7609 2300.0 62.0021 4900.0 65.1101 1900.0 69.0596 1900.0 71.0122 7300.0 74.0883 2200.0 87.0072 6600.0 89.0133 75000.0 89.0228 230000.0 96.8889 3200.0 END IONS BEGIN IONS SCANS=139 PEPMASS=104.0315 CHARGE=-1 COLLISION_ENERGY=0.0 50.502 11000.0 50.8927 10000.0 51.5214 16000.0 55.8057 9300.0 60.7217 11000.0 65.4698 9300.0 75.9766 9200.0 96.8914 14000.0 104.0243 18000.0 105.3777 11000.0 122.7889 9100.0 END IONS BEGIN IONS SCANS=140 PEPMASS=104.0327 CHARGE=-1 COLLISION_ENERGY=0.0 50.2166 7400.0 71.8877 6600.0 73.4719 7800.0 104.0243 18000.0 116.1697 7500.0 END IONS BEGIN IONS SCANS=141 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.3856 11000.0 53.1948 10000.0 63.5762 9200.0 94.1095 9800.0 96.8883 19000.0 104.0238 26000.0 105.7627 8800.0 117.0576 11000.0 121.3677 8600.0 END IONS BEGIN IONS SCANS=142 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5149 35000.0 57.9921 440000.0 64.299 27000.0 85.003 9200000.0 85.0136 47000.0 99.0604 27000.0 END IONS BEGIN IONS SCANS=143 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 51.3404 25000.0 51.5209 18000.0 57.9921 340000.0 63.1987 26000.0 68.0001 38000.0 85.0028 7800000.0 END IONS BEGIN IONS SCANS=144 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=145 PEPMASS=310.9464 CHARGE=-1 COLLISION_ENERGY=0.0 51.589 2900.0 62.1002 2200.0 62.636 2600.0 64.1049 2300.0 64.9111 2200.0 72.1146 2700.0 83.9949 15000.0 85.0026 70000.0 87.9238 7700.0 89.4464 2300.0 96.8868 2800.0 102.9349 3700.0 103.7876 2400.0 103.9188 6700.0 104.9266 7600.0 105.9343 9400.0 113.9272 4100.0 115.9421 34000.0 123.9443 25000.0 128.9376 8300.0 136.0475 2700.0 140.9386 4200.0 148.9404 2800.0 173.935 6800.0 175.9517 2500.0 183.9448 8000.0 191.9456 19000.0 242.9478 4200.0 243.9543 4700.0 259.9476 23000.0 296.0947 2600.0 310.9486 7600.0 311.1689 35000.0 END IONS BEGIN IONS SCANS=146 PEPMASS=102.0122 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 2600.0 82.2359 2700.0 85.3844 2200.0 91.3074 2200.0 93.6116 2400.0 96.8848 2300.0 96.8905 4100.0 99.8599 2100.0 102.0082 40000.0 106.9422 2100.0 END IONS BEGIN IONS SCANS=147 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 51.3049 26000.0 57.9921 520000.0 60.4921 29000.0 67.9998 30000.0 69.1386 27000.0 85.0028 9700000.0 85.0135 64000.0 99.3933 29000.0 END IONS BEGIN IONS SCANS=148 PEPMASS=102.014 CHARGE=-1 COLLISION_ENERGY=0.0 61.889 2800.0 69.7913 2900.0 70.9728 3100.0 96.8894 2700.0 102.0081 52000.0 107.4824 2800.0 END IONS BEGIN IONS SCANS=149 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2500.0 72.6498 2000.0 76.535 2200.0 86.7768 1900.0 96.8879 3400.0 98.8099 2300.0 102.0447 2300.0 105.0443 2000.0 106.4517 2100.0 110.9695 1700.0 END IONS BEGIN IONS SCANS=150 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.1255 5600.0 51.5124 8000.0 52.8846 6000.0 96.89 11000.0 104.024 21000.0 END IONS BEGIN IONS SCANS=151 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 50.7905 7900.0 51.9331 8400.0 60.4547 9100.0 64.625 8000.0 74.416 7900.0 79.5876 9000.0 96.8903 13000.0 99.2693 8700.0 103.5605 7800.0 104.0114 8700.0 104.0239 25000.0 END IONS BEGIN IONS SCANS=152 PEPMASS=218.103 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 2300.0 52.3314 2100.0 59.0126 7100.0 59.8649 3100.0 62.9701 2200.0 71.0124 52000.0 71.0486 42000.0 72.0075 2200.0 88.0279 5200.0 88.0389 810000.0 91.5852 2200.0 92.2853 2700.0 96.888 4600.0 99.0434 13000.0 116.0341 4400.0 116.0704 10000.0 129.0542 4700.0 133.0137 2500.0 146.0809 370000.0 210.0185 2400.0 218.1028 190000.0 END IONS BEGIN IONS SCANS=153 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.1488 8400.0 53.3287 7800.0 96.888 16000.0 104.0242 16000.0 119.4078 9800.0 END IONS BEGIN IONS SCANS=154 PEPMASS=103.0151 CHARGE=-1 COLLISION_ENERGY=0.0 51.4368 2000.0 52.2221 2300.0 59.0126 210000.0 64.5231 2000.0 65.9667 2200.0 76.0051 39000.0 103.016 110000.0 103.0272 2000.0 115.1562 2000.0 END IONS BEGIN IONS SCANS=155 PEPMASS=104.0168 CHARGE=-1 COLLISION_ENERGY=0.0 54.5507 6900.0 60.016 6100.0 60.4697 7200.0 62.4424 6600.0 66.1833 5900.0 67.2311 6000.0 77.1267 5300.0 96.8869 17000.0 96.8928 8800.0 104.024 19000.0 END IONS BEGIN IONS SCANS=156 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 430000.0 62.6382 25000.0 65.8477 27000.0 66.0277 24000.0 67.9997 26000.0 68.8245 26000.0 70.2917 27000.0 73.8516 28000.0 85.0027 7700000.0 85.0133 49000.0 86.8151 27000.0 96.8859 61000.0 96.8921 67000.0 END IONS BEGIN IONS SCANS=157 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 51.5412 2300.0 62.9637 2200.0 65.0059 9500.0 65.0131 1400000.0 65.0305 2500.0 78.6584 2200.0 96.8912 5400.0 114.8771 2400.0 118.9909 7000.0 131.1101 2500.0 139.0723 2500.0 162.838 23000.0 END IONS BEGIN IONS SCANS=158 PEPMASS=109.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.4879 2000.0 54.5392 1900.0 55.0188 2800.0 58.0283 3300.0 64.0054 62000.0 68.0123 3300.0 68.2344 1900.0 73.0151 1900.0 80.0 4000.0 84.2133 1900.0 87.9822 2000.0 96.0652 2000.0 96.8906 3600.0 100.3584 1900.0 109.998 78000.0 110.0338 4600.0 END IONS BEGIN IONS SCANS=159 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 56.215 5500.0 56.516 6000.0 61.2663 5100.0 71.2957 6000.0 79.2156 6300.0 79.4319 5700.0 79.883 6400.0 94.8569 5400.0 96.886 9100.0 96.891 11000.0 104.0243 18000.0 109.9567 5500.0 116.4033 7000.0 117.9179 5800.0 END IONS BEGIN IONS SCANS=160 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 51.1973 5800.0 54.2614 7200.0 56.7795 7300.0 63.0929 6100.0 66.7015 6100.0 66.78 6500.0 70.8371 6600.0 71.6438 6100.0 92.4318 7200.0 94.3516 6700.0 95.5564 7900.0 104.024 16000.0 108.7873 6300.0 115.0335 6800.0 END IONS BEGIN IONS SCANS=161 PEPMASS=118.0203 CHARGE=-1 COLLISION_ENERGY=0.0 50.6669 1900.0 54.0166 2000.0 64.9244 2100.0 65.9975 2500.0 73.0278 37000.0 74.0313 100000.0 89.4492 2000.0 91.0285 3700.0 96.8913 2600.0 100.0105 13000.0 116.3669 2100.0 118.0031 20000.0 118.021 22000.0 118.0399 4000.0 END IONS BEGIN IONS SCANS=162 PEPMASS=117.0181 CHARGE=-1 COLLISION_ENERGY=0.0 51.5368 14000.0 55.0174 33000.0 56.3877 11000.0 66.8278 12000.0 73.0281 5200000.0 90.0088 21000.0 99.007 390000.0 116.927 15000.0 117.0176 850000.0 END IONS BEGIN IONS SCANS=163 PEPMASS=102.0116 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 3200.0 82.4193 2500.0 96.8871 4800.0 102.0083 39000.0 108.8851 2800.0 END IONS BEGIN IONS SCANS=164 PEPMASS=117.0248 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 20000.0 57.7103 9700.0 65.4868 9300.0 73.0282 3400000.0 90.0083 37000.0 97.4888 10000.0 98.9976 11000.0 99.0071 260000.0 117.0053 13000.0 117.0178 550000.0 END IONS BEGIN IONS SCANS=165 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=166 PEPMASS=117.0096 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 20000.0 57.7103 9700.0 65.4868 9300.0 73.0282 3400000.0 90.0083 37000.0 97.4888 10000.0 98.9976 11000.0 99.0071 260000.0 117.0053 13000.0 117.0178 550000.0 END IONS BEGIN IONS SCANS=167 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.259 31000.0 57.992 510000.0 78.1578 34000.0 85.0028 9800000.0 96.8894 40000.0 END IONS BEGIN IONS SCANS=168 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 84.9922 70000.0 85.0029 9900000.0 85.0134 54000.0 96.8905 47000.0 END IONS BEGIN IONS SCANS=169 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 50.2191 1500.0 50.5407 1800.0 51.2349 1800.0 51.6253 1400.0 52.4529 1700.0 52.6456 1600.0 52.7753 2000.0 53.0378 1500.0 53.0669 1600.0 53.2834 1800.0 53.8961 1400.0 54.1404 1500.0 55.1429 2100.0 58.0234 1600.0 58.7207 1500.0 59.8058 1500.0 60.2904 1600.0 61.0164 1500.0 61.055 1500.0 61.2887 1500.0 62.049 1800.0 62.9416 2100.0 63.3819 1600.0 63.6147 1700.0 63.7533 1500.0 63.9475 1500.0 66.7974 1900.0 66.8987 1300.0 67.6414 1600.0 67.7716 1700.0 68.1423 1900.0 69.321 1700.0 71.1838 1500.0 71.8497 1600.0 73.9655 1800.0 74.2841 1600.0 74.4178 1300.0 74.7895 1700.0 75.3006 2000.0 75.6973 1400.0 76.8604 1300.0 76.9363 1700.0 77.3276 1600.0 77.622 1700.0 78.2526 2200.0 78.6968 1800.0 78.9357 1600.0 79.1329 1500.0 80.1199 1500.0 80.7519 1500.0 80.8707 1600.0 80.9003 1800.0 81.4814 1900.0 82.3397 1600.0 83.223 1500.0 83.2407 1700.0 83.866 1700.0 83.9935 1500.0 86.137 2000.0 87.0313 1400.0 87.0884 1600.0 89.3393 1800.0 90.2233 1500.0 90.3886 1800.0 91.9151 1700.0 94.8484 1700.0 95.9263 1600.0 100.0705 1500.0 100.2412 1600.0 100.4236 1600.0 102.2476 1500.0 103.131 1600.0 103.3506 1700.0 103.6533 1400.0 104.8172 1500.0 107.9103 1600.0 109.4553 1600.0 110.7352 1400.0 116.0135 1600.0 116.7537 1800.0 119.2221 1600.0 120.0736 1700.0 120.5696 1900.0 123.163 2000.0 124.2099 1500.0 124.6535 1500.0 124.8322 1600.0 END IONS BEGIN IONS SCANS=170 PEPMASS=104.0168 CHARGE=-1 COLLISION_ENERGY=0.0 50.5569 6800.0 57.3133 6800.0 68.0316 6700.0 96.8889 15000.0 104.0245 17000.0 END IONS BEGIN IONS SCANS=171 PEPMASS=103.0156 CHARGE=-1 COLLISION_ENERGY=0.0 51.5353 2000.0 59.0124 150000.0 76.0052 20000.0 80.2826 2000.0 96.8895 4000.0 103.016 58000.0 103.0274 2800.0 END IONS BEGIN IONS SCANS=172 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 54.1298 29000.0 57.992 550000.0 63.4518 29000.0 68.0 53000.0 75.5513 30000.0 85.0028 11000000.0 85.0135 62000.0 END IONS BEGIN IONS SCANS=173 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 590000.0 68.0003 38000.0 69.8689 27000.0 84.992 83000.0 85.0029 12000000.0 96.059 34000.0 END IONS BEGIN IONS SCANS=174 PEPMASS=310.9461 CHARGE=-1 COLLISION_ENERGY=0.0 58.2028 2200.0 61.6957 2300.0 63.6874 2400.0 67.4716 2300.0 72.7627 2400.0 79.2931 2500.0 83.9948 18000.0 85.0026 86000.0 87.924 5700.0 96.888 4300.0 101.927 2700.0 102.9345 5000.0 103.919 7400.0 104.9266 6100.0 105.1069 2600.0 105.9133 2600.0 105.9345 7200.0 106.9414 2800.0 111.9349 3900.0 112.8375 2500.0 113.9272 4500.0 115.9421 32000.0 117.9217 2200.0 121.8354 2300.0 122.308 2700.0 123.9444 33000.0 124.8094 2200.0 124.9429 3100.0 128.9371 14000.0 131.938 2600.0 140.9384 4700.0 147.9573 4100.0 148.9402 4700.0 156.9332 2700.0 173.4757 2400.0 173.9368 7300.0 175.951 3200.0 183.9447 9000.0 191.9466 23000.0 206.6479 2200.0 211.7526 2400.0 241.9367 3700.0 242.9455 5100.0 243.9535 6400.0 255.9421 2400.0 259.9477 29000.0 293.8761 2400.0 310.9455 5500.0 311.1693 46000.0 END IONS BEGIN IONS SCANS=175 PEPMASS=104.0332 CHARGE=-1 COLLISION_ENERGY=0.0 67.3763 9600.0 70.5778 8900.0 72.5443 9100.0 75.7481 9800.0 86.2147 9200.0 93.8755 10000.0 96.8897 14000.0 102.6463 9300.0 104.0241 19000.0 105.062 10000.0 109.4545 9000.0 END IONS BEGIN IONS SCANS=176 PEPMASS=84.9938 CHARGE=-1 COLLISION_ENERGY=0.0 54.3067 31000.0 57.9921 400000.0 68.0004 47000.0 77.7692 27000.0 85.0028 7600000.0 85.0133 38000.0 96.8882 36000.0 104.3311 23000.0 END IONS BEGIN IONS SCANS=177 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 52.7716 8200.0 65.5996 7700.0 73.4634 7000.0 79.7938 7100.0 89.3327 7000.0 95.7617 6700.0 96.8849 7400.0 96.8904 15000.0 104.0239 17000.0 121.8188 6800.0 END IONS BEGIN IONS SCANS=178 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 51.3331 32000.0 57.9921 500000.0 59.8274 31000.0 85.0029 11000000.0 95.6436 36000.0 96.8888 47000.0 98.4314 34000.0 END IONS BEGIN IONS SCANS=179 PEPMASS=102.0084 CHARGE=-1 COLLISION_ENERGY=0.0 50.282 2100.0 51.1232 2000.0 53.4197 2000.0 59.2477 2000.0 67.3637 2300.0 69.8463 2100.0 72.0422 2000.0 76.3373 2500.0 85.1896 2200.0 96.889 5500.0 98.3898 2000.0 102.0083 23000.0 111.5226 2100.0 END IONS BEGIN IONS SCANS=180 PEPMASS=163.0241 CHARGE=-1 COLLISION_ENERGY=0.0 53.7365 2000.0 56.9195 2000.0 62.269 2000.0 65.0041 3100.0 65.0132 960000.0 65.0204 6200.0 68.7383 2500.0 69.0235 2300.0 71.9719 2400.0 75.026 2400.0 84.8302 2600.0 85.0915 1800.0 118.9913 3500.0 127.845 2200.0 162.8376 15000.0 175.1925 2300.0 END IONS BEGIN IONS SCANS=181 PEPMASS=103.0156 CHARGE=-1 COLLISION_ENERGY=0.0 51.9676 2400.0 59.0125 140000.0 60.0781 2200.0 73.641 1900.0 76.0051 24000.0 96.8859 5200.0 96.8921 4300.0 103.0162 52000.0 113.2536 2300.0 END IONS BEGIN IONS SCANS=182 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 50.1064 2000.0 50.8294 2000.0 51.2274 2100.0 61.3539 2000.0 61.8453 2000.0 63.7703 2100.0 72.5219 2200.0 88.7376 1900.0 96.8864 3000.0 96.8918 3400.0 102.0081 34000.0 END IONS BEGIN IONS SCANS=183 PEPMASS=103.0141 CHARGE=-1 COLLISION_ENERGY=0.0 57.6401 2200.0 59.0126 270000.0 60.879 2500.0 63.2483 2200.0 66.8825 2200.0 76.005 46000.0 98.3787 2300.0 103.0062 2700.0 103.0161 97000.0 103.0244 3100.0 103.0273 2900.0 END IONS BEGIN IONS SCANS=184 PEPMASS=237.0385 CHARGE=-1 COLLISION_ENERGY=0.0 57.2231 2600.0 71.0123 48000.0 80.7319 2000.0 96.8888 3800.0 115.0019 28000.0 121.0278 340000.0 128.5927 2300.0 216.3045 2600.0 END IONS BEGIN IONS SCANS=185 PEPMASS=121.0273 CHARGE=-1 COLLISION_ENERGY=0.0 55.7765 2100.0 56.001 2200.0 65.9971 11000.0 105.2837 1900.0 110.9387 2000.0 117.7736 1900.0 121.0027 7000.0 121.0279 29000.0 124.9725 2100.0 130.0795 2500.0 END IONS BEGIN IONS SCANS=186 PEPMASS=237.0395 CHARGE=-1 COLLISION_ENERGY=0.0 52.9864 2200.0 54.1495 2400.0 55.6266 2400.0 55.8331 2400.0 64.9872 2300.0 69.6648 2700.0 71.0124 120000.0 81.7893 2700.0 81.9052 2400.0 96.888 2900.0 115.0021 75000.0 121.0105 3500.0 121.0127 2300.0 121.0281 880000.0 135.1997 2200.0 END IONS BEGIN IONS SCANS=187 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 62.2817 36000.0 67.4418 30000.0 68.0002 43000.0 85.0029 10000000.0 95.9395 31000.0 96.8886 53000.0 103.649 36000.0 END IONS BEGIN IONS SCANS=188 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 54.6689 9200.0 55.1713 9400.0 93.6139 9200.0 96.8885 14000.0 104.0238 15000.0 END IONS BEGIN IONS SCANS=189 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 52.3367 1800.0 53.2577 2400.0 61.0609 2100.0 74.5 2100.0 76.1483 2100.0 84.039 2000.0 86.8145 1900.0 96.7942 1900.0 96.8896 3900.0 105.0442 2200.0 105.6996 2200.0 106.7528 2300.0 END IONS BEGIN IONS SCANS=190 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 59.825 6500.0 74.1456 9400.0 78.0997 7000.0 84.5457 7100.0 92.5783 7500.0 93.1995 7000.0 96.4844 6200.0 96.887 17000.0 96.8927 8900.0 104.0244 16000.0 115.9896 7300.0 END IONS BEGIN IONS SCANS=191 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 460000.0 58.0058 34000.0 63.2734 32000.0 68.0005 36000.0 84.3968 34000.0 85.0028 8900000.0 85.0134 45000.0 END IONS BEGIN IONS SCANS=192 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 56.1497 9800.0 60.5157 11000.0 60.6979 10000.0 62.6787 10000.0 63.6544 11000.0 71.594 9800.0 74.866 10000.0 80.6434 9100.0 92.5593 11000.0 96.6798 9200.0 96.8868 12000.0 104.0237 25000.0 END IONS BEGIN IONS SCANS=193 PEPMASS=104.0327 CHARGE=-1 COLLISION_ENERGY=0.0 51.1928 8300.0 51.5236 8300.0 60.0654 9100.0 62.4193 8600.0 66.1513 11000.0 68.6785 9800.0 77.4308 9200.0 96.8891 14000.0 104.0246 24000.0 105.6914 8800.0 END IONS BEGIN IONS SCANS=194 PEPMASS=172.0951 CHARGE=-1 COLLISION_ENERGY=0.0 58.0286 2300.0 63.1367 2100.0 96.8887 3400.0 111.0793 2100.0 117.4817 2200.0 126.7445 2100.0 128.1066 8500.0 130.0719 2800.0 130.0736 3200.0 130.0856 250000.0 130.4242 2000.0 140.3666 2500.0 150.9093 2000.0 165.6382 2600.0 172.0964 51000.0 END IONS BEGIN IONS SCANS=195 PEPMASS=84.9963 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 430000.0 66.2773 32000.0 68.9809 34000.0 85.0028 8700000.0 85.0136 43000.0 87.0907 38000.0 END IONS BEGIN IONS SCANS=196 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 450000.0 68.0002 42000.0 85.0027 9000000.0 95.3543 33000.0 96.8877 46000.0 97.977 32000.0 END IONS BEGIN IONS SCANS=197 PEPMASS=104.02 CHARGE=-1 COLLISION_ENERGY=0.0 68.6058 6600.0 96.8901 10000.0 102.3192 7300.0 104.0239 29000.0 106.7756 7100.0 END IONS BEGIN IONS SCANS=198 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 540000.0 68.0001 45000.0 75.4613 32000.0 85.0028 11000000.0 96.887 39000.0 102.9278 30000.0 END IONS BEGIN IONS SCANS=199 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 50.6651 8500.0 56.9843 7800.0 60.153 7700.0 74.01 8200.0 88.3429 11000.0 96.8913 18000.0 104.0238 16000.0 115.6877 8600.0 121.9033 8600.0 END IONS BEGIN IONS SCANS=200 PEPMASS=102.0121 CHARGE=-1 COLLISION_ENERGY=0.0 50.934 2500.0 58.7379 3000.0 68.5287 2500.0 74.6202 3000.0 74.6397 3200.0 85.1272 2600.0 89.2341 2700.0 96.8895 4100.0 99.336 2800.0 102.0081 29000.0 105.1792 2600.0 END IONS BEGIN IONS SCANS=201 PEPMASS=186.0394 CHARGE=-1 COLLISION_ENERGY=0.0 58.019 2300.0 58.0286 440000.0 60.4316 2400.0 61.02 2400.0 71.9903 2800.0 80.8454 2200.0 87.9242 3600.0 96.8872 3500.0 98.0598 5600.0 114.0546 27000.0 140.0336 2200.0 141.9407 3400.0 142.0495 190000.0 186.0406 3300.0 END IONS BEGIN IONS SCANS=202 PEPMASS=163.0241 CHARGE=-1 COLLISION_ENERGY=0.0 61.6111 2000.0 61.9746 2500.0 65.006 7500.0 65.0074 3800.0 65.0132 1100000.0 70.8308 2400.0 93.8109 2200.0 96.8881 3600.0 118.9912 3500.0 121.113 2200.0 162.8375 20000.0 169.4282 2100.0 END IONS BEGIN IONS SCANS=203 PEPMASS=142.0491 CHARGE=-1 COLLISION_ENERGY=0.0 58.0285 130000.0 58.0321 4000.0 58.0325 2200.0 60.9993 2100.0 63.6638 1800.0 71.2824 2000.0 95.6386 2200.0 96.8887 3200.0 115.0119 3500.0 142.0135 2600.0 142.0233 5200.0 142.0396 18000.0 142.0497 4300.0 END IONS BEGIN IONS SCANS=204 PEPMASS=186.0383 CHARGE=-1 COLLISION_ENERGY=0.0 51.5196 2800.0 54.9985 2100.0 58.0286 340000.0 65.0129 3700.0 68.8517 2200.0 74.0559 3200.0 85.9816 2300.0 96.8884 4800.0 98.0595 3300.0 98.5963 2000.0 98.6298 2000.0 114.0543 21000.0 121.5655 2200.0 141.9417 2500.0 142.0495 130000.0 END IONS BEGIN IONS SCANS=205 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 540000.0 60.8027 34000.0 78.0128 36000.0 82.8344 30000.0 85.0029 9800000.0 85.0134 50000.0 96.8918 40000.0 104.0037 33000.0 END IONS BEGIN IONS SCANS=206 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.7259 1800.0 50.9212 1600.0 51.4747 1700.0 51.747 1600.0 52.0554 1800.0 54.7101 1900.0 55.3268 1500.0 55.8128 1400.0 56.04 1400.0 57.0914 1500.0 57.2621 1700.0 57.6185 1700.0 59.161 1700.0 59.2783 1800.0 59.4082 1600.0 59.9105 1600.0 60.4615 2000.0 60.6201 1800.0 61.1926 1900.0 61.3112 1700.0 62.7442 1800.0 64.0577 1700.0 64.7425 1900.0 64.7874 1500.0 64.8209 1800.0 64.8338 1700.0 66.0354 1600.0 66.0715 1700.0 66.624 1500.0 67.6987 1600.0 68.3418 1700.0 68.5781 2000.0 68.9144 1800.0 70.6773 1700.0 71.1007 1700.0 73.0778 1600.0 73.131 2000.0 73.1834 1500.0 76.1498 1900.0 76.1538 1800.0 76.3023 1300.0 77.7583 1600.0 83.3844 2100.0 84.4909 1500.0 85.0564 1500.0 89.6044 1700.0 90.9468 1600.0 92.2958 1600.0 94.898 2000.0 95.1452 1800.0 95.8653 1500.0 96.8741 1800.0 96.8896 3100.0 103.787 1900.0 105.0437 1700.0 106.4956 1600.0 106.7477 1600.0 107.2459 1500.0 109.27 1600.0 109.725 1500.0 116.1903 1800.0 116.8477 1900.0 118.9682 1800.0 119.0481 1800.0 END IONS BEGIN IONS SCANS=207 PEPMASS=102.0141 CHARGE=-1 COLLISION_ENERGY=0.0 50.7248 3000.0 51.5346 3000.0 57.1016 3100.0 70.0282 3100.0 83.7071 3400.0 96.8884 6600.0 102.0084 37000.0 END IONS BEGIN IONS SCANS=208 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 53.0552 41000.0 57.9921 650000.0 58.7177 31000.0 68.0 35000.0 68.5598 34000.0 85.0029 11000000.0 96.8872 48000.0 97.757 30000.0 END IONS BEGIN IONS SCANS=209 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 67.3763 9600.0 70.5778 8900.0 72.5443 9100.0 75.7481 9800.0 86.2147 9200.0 93.8755 10000.0 96.8897 14000.0 102.6463 9300.0 104.0241 19000.0 105.062 10000.0 109.4545 9000.0 END IONS BEGIN IONS SCANS=210 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 53.5187 27000.0 57.992 500000.0 67.9999 59000.0 84.9891 43000.0 85.0028 11000000.0 85.0133 54000.0 96.889 49000.0 101.4815 34000.0 END IONS BEGIN IONS SCANS=211 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 52.9983 8400.0 54.2899 7300.0 55.5459 9000.0 57.5321 7900.0 61.9867 7900.0 65.1859 7600.0 65.9572 9200.0 74.8779 8500.0 96.8876 12000.0 104.0237 30000.0 105.6152 8800.0 118.5558 8300.0 END IONS BEGIN IONS SCANS=212 PEPMASS=84.9935 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 57.9956 45000.0 61.9944 26000.0 62.9853 25000.0 64.6206 26000.0 85.0028 9800000.0 96.8894 54000.0 END IONS BEGIN IONS SCANS=213 PEPMASS=194.1014 CHARGE=-1 COLLISION_ENERGY=0.0 54.5488 1900.0 57.0558 2000.0 60.4778 1900.0 69.7728 2300.0 76.4647 2300.0 77.3537 2200.0 79.0427 2000.0 86.5681 2200.0 115.2766 2400.0 123.455 2300.0 131.8456 2200.0 163.2078 2200.0 171.0864 2000.0 174.528 2500.0 180.121 2400.0 194.0811 4400.0 203.4816 2100.0 210.5214 2300.0 END IONS BEGIN IONS SCANS=214 PEPMASS=103.0124 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 67000.0 76.005 18000.0 78.9887 2000.0 91.0043 2000.0 96.8893 2400.0 103.016 55000.0 103.0276 2500.0 END IONS BEGIN IONS SCANS=215 PEPMASS=194.1008 CHARGE=-1 COLLISION_ENERGY=0.0 50.4861 2100.0 67.2379 2000.0 79.1824 2400.0 96.8889 2900.0 116.8482 2000.0 146.918 2300.0 147.3251 2600.0 180.9401 1900.0 194.0472 2300.0 194.0816 7200.0 END IONS BEGIN IONS SCANS=216 PEPMASS=103.0156 CHARGE=-1 COLLISION_ENERGY=0.0 50.1007 2400.0 51.5152 2100.0 52.7495 1900.0 59.0126 170000.0 66.1048 1900.0 66.3869 2000.0 69.1916 1900.0 76.0048 27000.0 77.1834 1900.0 94.3988 2000.0 96.89 3800.0 103.0162 74000.0 103.0279 3400.0 110.7933 2100.0 112.2319 2000.0 117.7165 2300.0 120.1914 2100.0 END IONS BEGIN IONS SCANS=217 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 57.4961 27000.0 57.9921 400000.0 67.9999 41000.0 69.3545 24000.0 71.9813 30000.0 76.8919 28000.0 78.6973 25000.0 84.5326 27000.0 85.0028 7600000.0 85.4342 30000.0 96.8909 41000.0 102.9241 26000.0 END IONS BEGIN IONS SCANS=218 PEPMASS=85.0001 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 350000.0 62.3329 21000.0 67.0351 29000.0 70.5097 22000.0 80.605 23000.0 85.0028 6600000.0 96.8863 27000.0 99.5627 23000.0 END IONS BEGIN IONS SCANS=219 PEPMASS=216.0865 CHARGE=-1 COLLISION_ENERGY=0.0 52.5633 2100.0 71.0124 7400.0 88.0388 110000.0 92.6853 2300.0 94.342 2300.0 96.8876 4300.0 96.8929 2300.0 96.9913 6500.0 100.0751 68000.0 101.0592 42000.0 114.0178 9200.0 115.0022 30000.0 132.0284 5500.0 151.518 2200.0 154.0865 7200.0 172.0964 43000.0 198.0761 13000.0 216.0868 82000.0 END IONS BEGIN IONS SCANS=220 PEPMASS=85.0121 CHARGE=-1 COLLISION_ENERGY=0.0 51.1247 27000.0 51.5157 32000.0 52.1872 29000.0 56.4638 30000.0 57.2497 32000.0 57.9921 440000.0 84.9921 57000.0 85.0028 8300000.0 95.0666 28000.0 95.4618 36000.0 96.8882 38000.0 END IONS BEGIN IONS SCANS=221 PEPMASS=85.006 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 65.1125 29000.0 67.9997 32000.0 68.6577 32000.0 85.0028 11000000.0 85.0134 49000.0 93.8746 27000.0 96.8907 42000.0 END IONS BEGIN IONS SCANS=222 PEPMASS=103.0137 CHARGE=-1 COLLISION_ENERGY=0.0 54.6553 2500.0 59.0126 320000.0 76.0051 39000.0 88.0046 2200.0 90.2824 2000.0 92.1578 2000.0 96.8879 2400.0 102.9814 2200.0 103.0058 2500.0 103.0161 91000.0 103.0281 3600.0 113.169 2100.0 END IONS BEGIN IONS SCANS=223 PEPMASS=104.0168 CHARGE=-1 COLLISION_ENERGY=0.0 50.9368 6000.0 57.5251 6300.0 62.1132 5900.0 62.6153 6500.0 64.4926 6300.0 68.2616 5900.0 68.6923 7200.0 71.8993 6100.0 76.3251 6000.0 82.175 5900.0 86.5636 5500.0 92.8751 6300.0 93.3917 6600.0 96.8885 15000.0 104.0236 11000.0 119.2221 6000.0 END IONS BEGIN IONS SCANS=224 PEPMASS=161.0443 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 970000.0 59.0124 190000.0 76.0055 3700.0 76.1787 3400.0 85.6806 3600.0 99.0437 1200000.0 101.0228 330000.0 101.0324 3900.0 112.3432 3300.0 117.054 8600.0 161.0084 5700.0 161.0441 270000.0 END IONS BEGIN IONS SCANS=225 PEPMASS=102.0116 CHARGE=-1 COLLISION_ENERGY=0.0 51.4022 2500.0 51.515 2700.0 55.0523 2200.0 56.9933 2100.0 62.4485 2900.0 82.8206 2400.0 92.6439 2400.0 96.8857 3400.0 96.8913 4700.0 98.4536 2100.0 102.0082 37000.0 111.0918 2700.0 115.0733 2300.0 END IONS BEGIN IONS SCANS=226 PEPMASS=200.9848 CHARGE=-1 COLLISION_ENERGY=0.0 63.6762 2200.0 76.5571 2400.0 82.7681 2200.0 88.0409 2200.0 96.8905 3700.0 121.0279 300000.0 200.9859 32000.0 206.6335 2200.0 220.0848 2600.0 END IONS BEGIN IONS SCANS=227 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 64.6904 7900.0 67.7978 8000.0 76.0434 8200.0 82.0728 9100.0 84.1722 8900.0 96.8888 12000.0 98.8688 7400.0 104.0239 18000.0 104.691 7500.0 118.2402 6500.0 END IONS BEGIN IONS SCANS=228 PEPMASS=90.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.238 1900.0 53.5706 2300.0 58.8834 1900.0 65.8582 1800.0 77.1033 2100.0 83.1851 2000.0 90.0081 210000.0 96.8866 2500.0 END IONS BEGIN IONS SCANS=229 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 54.1841 22000.0 57.9921 340000.0 85.0029 7200000.0 96.8883 35000.0 101.2012 25000.0 END IONS BEGIN IONS SCANS=230 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 52.4618 32000.0 57.9921 520000.0 66.8992 31000.0 69.9171 28000.0 75.378 35000.0 77.0968 37000.0 85.0028 9300000.0 96.8886 48000.0 END IONS BEGIN IONS SCANS=231 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 53.7796 39000.0 54.9295 38000.0 55.4395 34000.0 56.7419 43000.0 57.9921 560000.0 85.0029 12000000.0 96.89 64000.0 END IONS BEGIN IONS SCANS=232 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 84.2705 7700.0 85.2652 7000.0 85.3683 7200.0 96.8869 9000.0 104.0238 16000.0 END IONS BEGIN IONS SCANS=233 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 51.5119 7000.0 54.2387 6000.0 54.3541 6900.0 54.9513 6700.0 73.2539 6900.0 84.0607 6900.0 96.8893 33000.0 104.0242 21000.0 115.7811 7000.0 117.012 6700.0 END IONS BEGIN IONS SCANS=234 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.5325 7800.0 56.9916 8200.0 67.3385 7500.0 70.6013 7000.0 75.1309 7100.0 82.6876 8000.0 96.0053 6800.0 96.5585 8300.0 96.8896 17000.0 97.3779 8300.0 104.0241 19000.0 END IONS BEGIN IONS SCANS=235 PEPMASS=85.0122 CHARGE=-1 COLLISION_ENERGY=0.0 51.529 28000.0 57.9919 420000.0 60.3157 24000.0 68.0 47000.0 85.0027 8500000.0 93.3013 32000.0 96.8902 45000.0 END IONS BEGIN IONS SCANS=236 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 510000.0 58.6288 32000.0 68.0003 38000.0 71.9721 36000.0 84.9974 79000.0 85.0029 10000000.0 88.3937 34000.0 99.2137 37000.0 END IONS BEGIN IONS SCANS=237 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 51.5265 2200.0 65.006 7400.0 65.0073 3700.0 65.0132 900000.0 65.0204 5300.0 71.5416 2000.0 84.9421 2000.0 87.8352 2200.0 96.8889 3400.0 102.3256 2600.0 103.4584 2300.0 114.908 2200.0 118.9915 8000.0 119.5902 2500.0 148.4448 2000.0 153.259 2200.0 162.838 2300.0 163.0252 3300.0 178.8628 2200.0 END IONS BEGIN IONS SCANS=238 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 55.6593 2000.0 73.6638 1900.0 78.6461 1900.0 87.0529 2000.0 96.8888 3400.0 97.9869 2000.0 98.6289 1900.0 102.0806 2200.0 102.2707 2400.0 105.0441 4500.0 END IONS BEGIN IONS SCANS=239 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 57.1008 8700.0 58.4374 8900.0 80.99 9900.0 81.5066 8800.0 83.962 9900.0 91.5908 10000.0 96.8879 13000.0 98.4775 10000.0 104.0239 17000.0 114.5738 11000.0 END IONS BEGIN IONS SCANS=240 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.055 38000.0 53.3649 42000.0 57.992 600000.0 68.0003 45000.0 84.989 46000.0 85.0028 13000000.0 91.0692 43000.0 94.2718 40000.0 96.8895 60000.0 END IONS BEGIN IONS SCANS=241 PEPMASS=104.0334 CHARGE=-1 COLLISION_ENERGY=0.0 51.5107 10000.0 51.5207 10000.0 52.4393 9900.0 53.9493 9100.0 69.4608 10000.0 77.5725 12000.0 96.8879 12000.0 104.0245 16000.0 105.343 12000.0 122.0565 9500.0 END IONS BEGIN IONS SCANS=242 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 28000.0 54.7406 25000.0 55.325 27000.0 57.992 480000.0 60.7683 26000.0 72.3634 30000.0 85.0028 9500000.0 85.0135 62000.0 96.889 56000.0 END IONS BEGIN IONS SCANS=243 PEPMASS=102.0116 CHARGE=-1 COLLISION_ENERGY=0.0 51.5233 2600.0 57.9925 2200.0 59.0125 2800.0 61.7949 2200.0 70.0621 2200.0 81.4583 2200.0 83.2095 2200.0 102.0082 21000.0 116.9199 2600.0 117.3986 2200.0 END IONS BEGIN IONS SCANS=244 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 650000.0 60.4729 44000.0 68.0001 41000.0 85.0028 12000000.0 96.4286 34000.0 96.8882 56000.0 END IONS BEGIN IONS SCANS=245 PEPMASS=103.0139 CHARGE=-1 COLLISION_ENERGY=0.0 50.6047 1900.0 56.9624 2200.0 59.0126 270000.0 76.0051 45000.0 76.7659 2000.0 85.3192 1800.0 86.2898 2000.0 86.619 2100.0 90.2803 2100.0 96.89 3500.0 103.0162 97000.0 103.0399 2100.0 108.0585 1800.0 113.0765 2100.0 END IONS BEGIN IONS SCANS=246 PEPMASS=310.9475 CHARGE=-1 COLLISION_ENERGY=0.0 51.1687 2800.0 51.5269 3300.0 53.6534 2700.0 55.1676 2500.0 61.2554 2200.0 82.7702 2200.0 83.9949 38000.0 84.995 3000.0 85.0027 150000.0 87.9236 12000.0 94.831 2700.0 96.8887 4000.0 102.9344 8700.0 103.9184 13000.0 104.9267 15000.0 105.9342 16000.0 106.9423 3400.0 111.9349 10000.0 113.9266 6700.0 115.9424 62000.0 123.9446 60000.0 124.9427 5300.0 128.9378 25000.0 129.9212 2800.0 129.9445 4300.0 131.9388 3800.0 132.9442 5100.0 140.938 8600.0 146.948 4800.0 147.9564 8000.0 148.9404 11000.0 160.9812 2600.0 162.7377 2400.0 173.935 12000.0 175.9511 7700.0 177.4047 2700.0 183.0124 5600.0 183.9436 25000.0 187.9396 3500.0 191.9466 57000.0 241.937 5800.0 242.9449 12000.0 243.9525 7400.0 259.9482 62000.0 310.9477 14000.0 311.1693 100000.0 END IONS BEGIN IONS SCANS=247 PEPMASS=206.0808 CHARGE=-1 COLLISION_ENERGY=0.0 52.6861 2300.0 53.6471 2300.0 56.3967 2600.0 58.0286 27000.0 66.7438 2200.0 70.0284 15000.0 73.6575 2500.0 78.4912 3000.0 91.0536 14000.0 137.3461 2200.0 139.9126 2300.0 147.0437 40000.0 162.0452 2900.0 164.0704 140000.0 206.0813 55000.0 END IONS BEGIN IONS SCANS=248 PEPMASS=104.0285 CHARGE=-1 COLLISION_ENERGY=0.0 51.7559 6500.0 57.9384 7000.0 95.4519 6300.0 96.8847 7400.0 96.8901 21000.0 103.5095 6500.0 104.0239 15000.0 109.3611 6100.0 116.4322 7100.0 124.5297 7000.0 END IONS BEGIN IONS SCANS=249 PEPMASS=161.0433 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 120000.0 58.6361 2000.0 59.0124 58000.0 60.403 2200.0 65.8289 2100.0 76.0053 4500.0 90.0085 2900.0 96.8895 3400.0 99.0434 270000.0 101.0228 270000.0 105.2799 2400.0 106.0032 5000.0 118.0032 3700.0 143.0335 34000.0 160.8403 5500.0 161.0082 3000.0 161.044 74000.0 END IONS BEGIN IONS SCANS=250 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 51.6394 28000.0 57.992 420000.0 60.064 22000.0 64.8117 25000.0 67.9999 27000.0 85.0029 8300000.0 85.0134 42000.0 96.8895 47000.0 END IONS BEGIN IONS SCANS=251 PEPMASS=103.0155 CHARGE=-1 COLLISION_ENERGY=0.0 51.5211 2300.0 59.0125 120000.0 69.1 2100.0 71.1039 2000.0 76.0052 19000.0 78.0484 2000.0 92.3099 2000.0 94.9096 2300.0 96.8916 2500.0 103.0161 45000.0 103.0281 3000.0 105.2273 2100.0 116.5575 1800.0 END IONS BEGIN IONS SCANS=252 PEPMASS=250.0705 CHARGE=-1 COLLISION_ENERGY=0.0 50.7493 2200.0 65.6393 2400.0 71.0123 12000.0 88.0308 2900.0 88.0388 190000.0 88.0461 2800.0 88.9154 2500.0 91.054 12000.0 96.8921 2800.0 114.0181 18000.0 115.0023 38000.0 118.8155 2500.0 120.4535 2100.0 132.0287 360000.0 133.8693 3100.0 135.0434 13000.0 167.6002 2300.0 194.0714 2500.0 206.0813 8800.0 232.0602 2500.0 250.0718 63000.0 END IONS BEGIN IONS SCANS=253 PEPMASS=250.0715 CHARGE=-1 COLLISION_ENERGY=0.0 53.2378 3000.0 59.0125 3800.0 70.0281 2900.0 70.4253 3000.0 71.0122 31000.0 75.1951 2800.0 76.2993 2800.0 81.8001 3200.0 88.0389 590000.0 91.0537 46000.0 96.8899 4900.0 114.0181 46000.0 115.002 110000.0 118.7525 2900.0 132.0289 1200000.0 134.0597 6700.0 135.0434 42000.0 184.0409 3600.0 185.5968 3200.0 205.7208 3300.0 206.0812 22000.0 232.0593 6200.0 238.8826 3100.0 250.0711 180000.0 END IONS BEGIN IONS SCANS=254 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.0266 26000.0 50.7811 28000.0 57.9919 350000.0 58.2989 27000.0 67.9999 33000.0 84.992 36000.0 85.0027 7100000.0 89.413 33000.0 89.4708 25000.0 103.332 25000.0 END IONS BEGIN IONS SCANS=255 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 58.6724 7300.0 78.5656 7400.0 104.024 17000.0 END IONS BEGIN IONS SCANS=256 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 53.6363 9900.0 63.621 8000.0 69.3824 8100.0 73.372 9100.0 73.5386 9500.0 79.9256 7600.0 80.772 7700.0 88.9662 7700.0 96.889 19000.0 104.0122 9700.0 104.0241 15000.0 113.8771 8800.0 END IONS BEGIN IONS SCANS=257 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 51.5397 41000.0 57.992 520000.0 67.9999 38000.0 75.1069 35000.0 81.1969 31000.0 84.9921 57000.0 85.0027 11000000.0 87.6749 36000.0 104.7215 30000.0 END IONS BEGIN IONS SCANS=258 PEPMASS=175.0222 CHARGE=-1 COLLISION_ENERGY=0.0 50.6031 2100.0 51.5435 2500.0 59.0124 130000.0 61.4834 2000.0 61.7951 2100.0 62.9469 2500.0 64.4808 2000.0 71.0123 280000.0 72.4237 1900.0 96.8904 4500.0 113.0595 2400.0 115.0017 24000.0 133.0123 3600.0 135.2211 2400.0 175.0591 3500.0 END IONS BEGIN 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9600000.0 85.0136 53000.0 92.9259 40000.0 96.8873 39000.0 END IONS BEGIN IONS SCANS=264 PEPMASS=141.0186 CHARGE=-1 COLLISION_ENERGY=0.0 54.4373 2100.0 54.5262 2000.0 65.0129 11000.0 67.5835 2200.0 69.0329 48000.0 80.1091 1900.0 90.0078 5000.0 96.8895 2700.0 111.4546 2200.0 114.0079 81000.0 127.9294 7300.0 132.3028 2100.0 140.9375 2500.0 141.019 75000.0 153.6168 2400.0 END IONS BEGIN IONS SCANS=265 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 55.4343 7200.0 59.8393 7700.0 60.3149 7000.0 60.4533 6800.0 62.3754 7500.0 91.5186 6200.0 96.8894 12000.0 102.4498 7300.0 104.0236 14000.0 END IONS BEGIN IONS SCANS=266 PEPMASS=102.0082 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 2100.0 52.4987 2000.0 59.856 2200.0 60.4827 2300.0 62.3253 2500.0 70.7397 1900.0 79.4615 1900.0 80.1262 2400.0 80.5562 2000.0 95.0121 2000.0 96.8874 3200.0 102.0081 13000.0 105.5074 1900.0 106.7131 1900.0 107.5287 1900.0 111.0403 2500.0 END IONS BEGIN IONS SCANS=267 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 600000.0 68.0001 57000.0 85.0028 12000000.0 85.0133 58000.0 89.9401 34000.0 96.8895 68000.0 END IONS BEGIN IONS SCANS=268 PEPMASS=128.0329 CHARGE=-1 COLLISION_ENERGY=0.0 60.1371 2100.0 60.4087 2200.0 76.0048 2500.0 82.028 6100.0 84.0439 3400.0 96.8887 4000.0 102.0075 3800.0 127.9972 3000.0 127.9998 3500.0 128.0112 210000.0 128.0333 140000.0 146.7173 2200.0 END IONS BEGIN IONS SCANS=269 PEPMASS=112.9862 CHARGE=-1 COLLISION_ENERGY=0.0 51.5596 2100.0 52.6277 1900.0 68.9943 130000.0 84.9916 25000.0 85.0027 9300.0 85.9981 4200.0 96.8901 3100.0 99.5585 2200.0 112.9865 65000.0 112.9967 15000.0 END IONS BEGIN IONS SCANS=270 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.0947 33000.0 57.9921 530000.0 85.0028 11000000.0 94.9655 40000.0 96.8901 55000.0 END IONS BEGIN IONS SCANS=271 PEPMASS=375.1836 CHARGE=-1 COLLISION_ENERGY=0.0 51.726 2300.0 61.6103 2500.0 69.3907 2500.0 87.8361 3000.0 90.8861 2500.0 93.1789 2800.0 96.7151 2500.0 96.8881 3300.0 96.9585 320000.0 112.4518 2500.0 156.447 2900.0 166.4771 2600.0 186.2765 2700.0 295.2294 13000.0 375.1168 3200.0 375.1283 3700.0 375.1861 210000.0 375.2569 3400.0 END IONS BEGIN IONS SCANS=272 PEPMASS=84.9962 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 480000.0 58.0948 35000.0 59.3181 40000.0 60.4899 44000.0 67.9238 39000.0 74.4025 36000.0 77.6447 38000.0 85.0028 8700000.0 94.5868 34000.0 96.8911 81000.0 END IONS BEGIN IONS SCANS=273 PEPMASS=103.0155 CHARGE=-1 COLLISION_ENERGY=0.0 55.0679 2300.0 55.7431 2500.0 59.0125 160000.0 68.25 2100.0 76.0051 27000.0 86.6713 2000.0 96.8904 2800.0 103.0162 65000.0 103.0284 4400.0 END IONS BEGIN IONS SCANS=274 PEPMASS=109.9976 CHARGE=-1 COLLISION_ENERGY=0.0 54.4872 2200.0 54.7445 2000.0 64.0053 70000.0 72.0265 1900.0 79.9998 2900.0 96.8877 2700.0 109.998 89000.0 114.4487 2200.0 126.3792 2200.0 END IONS BEGIN IONS SCANS=275 PEPMASS=351.184 CHARGE=-1 COLLISION_ENERGY=0.0 50.5312 2600.0 51.1352 2600.0 72.9568 5200.0 77.3149 2500.0 87.7572 2400.0 90.6759 2400.0 91.881 2400.0 96.8872 13000.0 96.9585 550000.0 153.9016 2900.0 177.3526 2600.0 222.0952 2400.0 225.221 12000.0 271.2273 19000.0 351.1852 310000.0 END IONS BEGIN IONS SCANS=276 PEPMASS=373.1681 CHARGE=-1 COLLISION_ENERGY=0.0 59.5196 2300.0 67.7527 2400.0 94.3367 2600.0 96.4009 2100.0 96.8881 4800.0 96.9585 510000.0 99.2916 2800.0 142.4485 2400.0 150.0303 2900.0 236.3335 2800.0 293.2114 17000.0 354.927 3000.0 373.17 150000.0 END IONS BEGIN IONS SCANS=277 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 51.1679 2100.0 62.3313 2700.0 71.0124 18000.0 72.9602 2700.0 73.0391 2300.0 81.2851 2100.0 89.0124 2200.0 95.8441 2000.0 96.8855 4300.0 96.8919 6000.0 115.0031 2000.0 115.0292 6800.0 134.3211 2200.0 END IONS BEGIN IONS SCANS=278 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 8000.0 57.4249 2100.0 57.9104 2000.0 58.9573 3800.0 67.0176 3600.0 85.028 43000.0 86.3342 2100.0 87.0072 78000.0 87.9241 3200.0 88.8844 2500.0 96.8884 3200.0 102.9473 22000.0 107.4159 2500.0 111.0072 200000.0 111.0167 4300.0 111.0181 3100.0 116.5973 2400.0 129.0085 2100.0 129.0166 11000.0 146.9375 9100.0 147.0293 2600.0 150.4332 2300.0 150.7164 2500.0 173.0092 4500.0 191.0193 26000.0 194.4126 2100.0 END IONS BEGIN IONS SCANS=279 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 61.3068 29000.0 63.9136 31000.0 85.0028 9300000.0 86.0821 27000.0 96.8875 40000.0 97.375 30000.0 END IONS BEGIN IONS SCANS=280 PEPMASS=267.0652 CHARGE=-1 COLLISION_ENERGY=0.0 50.2529 2200.0 51.5337 2900.0 58.8744 2300.0 60.4814 2600.0 68.3829 2500.0 68.7732 2300.0 96.8908 3900.0 98.7322 2400.0 113.5934 2800.0 132.0197 7500.0 135.1418 2200.0 152.0324 3700.0 171.503 2300.0 195.0435 4500.0 206.2454 2700.0 208.0513 7100.0 223.039 18000.0 224.047 7900.0 226.932 2500.0 251.0338 17000.0 252.0422 460000.0 267.0656 590000.0 END IONS BEGIN IONS SCANS=281 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 69.7483 1900.0 74.3018 1900.0 77.2813 2600.0 78.5592 1700.0 80.3264 2000.0 85.9881 1900.0 93.0156 2000.0 93.8419 1900.0 96.8893 5000.0 119.5037 2000.0 120.834 1800.0 END IONS BEGIN IONS SCANS=282 PEPMASS=117.0177 CHARGE=-1 COLLISION_ENERGY=0.0 50.7564 2300.0 53.3157 1900.0 55.0175 4300.0 58.0125 2000.0 60.8969 2200.0 65.013 5400.0 73.0279 180000.0 89.0129 4000.0 89.9974 1900.0 90.0081 35000.0 90.0161 12000.0 96.889 3600.0 116.9269 7300.0 117.0192 110000.0 117.0273 8100.0 120.9942 2200.0 END IONS BEGIN IONS SCANS=283 PEPMASS=310.9472 CHARGE=-1 COLLISION_ENERGY=0.0 51.5184 3100.0 54.4328 2500.0 57.3151 2600.0 58.434 2300.0 60.4628 2700.0 62.3217 2300.0 69.008 2500.0 74.3969 2300.0 83.9947 36000.0 85.0026 130000.0 87.9236 11000.0 96.8894 6100.0 101.9271 3900.0 102.9346 4100.0 103.9117 2800.0 103.9184 11000.0 104.9263 10000.0 105.9339 15000.0 106.9413 3000.0 111.9346 7300.0 113.9267 6800.0 115.9423 59000.0 123.9445 54000.0 124.9415 4500.0 128.5657 2600.0 128.9377 15000.0 129.9221 4600.0 131.9377 2900.0 140.9377 6500.0 146.9478 4100.0 147.9558 4300.0 148.94 8300.0 158.3402 2300.0 173.9351 12000.0 175.9509 3400.0 183.0123 6400.0 183.9431 13000.0 184.0186 3100.0 191.9461 32000.0 202.0758 2900.0 241.938 5900.0 242.9459 13000.0 243.9529 5300.0 259.9476 44000.0 310.9454 12000.0 311.1687 130000.0 END IONS BEGIN IONS SCANS=284 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 59.7042 7100.0 79.0178 7400.0 96.8906 11000.0 104.0243 12000.0 105.6628 6900.0 118.1923 7400.0 END IONS BEGIN IONS SCANS=285 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 58.7857 7700.0 61.7279 7500.0 66.9777 8000.0 96.8896 23000.0 99.098 8100.0 104.0244 21000.0 118.8313 7700.0 119.6205 7400.0 END IONS BEGIN IONS SCANS=286 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 58.9465 12000.0 78.0086 9300.0 81.3282 9000.0 83.3559 10000.0 84.9387 10000.0 96.8894 45000.0 104.0237 17000.0 107.5268 10000.0 111.0671 10000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 60.5853 2100.0 65.004 2600.0 65.0132 800000.0 65.0201 3700.0 67.0037 2300.0 96.89 3600.0 99.4371 2200.0 108.1917 2600.0 114.823 2000.0 116.0323 2500.0 118.9914 8500.0 END IONS BEGIN IONS SCANS=288 PEPMASS=104.0283 CHARGE=-1 COLLISION_ENERGY=0.0 50.5589 9900.0 51.5189 13000.0 63.0759 10000.0 66.501 8700.0 69.1213 9500.0 71.7606 9800.0 88.3061 9800.0 98.8458 9200.0 104.0241 20000.0 END IONS BEGIN IONS SCANS=289 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 610000.0 60.4796 29000.0 64.7556 29000.0 68.0002 51000.0 69.0987 35000.0 85.0028 13000000.0 85.0135 73000.0 96.8875 50000.0 END IONS BEGIN IONS SCANS=290 PEPMASS=84.996 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 520000.0 65.079 33000.0 68.0 57000.0 77.0351 30000.0 84.5302 32000.0 84.992 86000.0 85.0028 12000000.0 91.3351 38000.0 95.8958 33000.0 96.8921 33000.0 END IONS BEGIN IONS SCANS=291 PEPMASS=165.0166 CHARGE=-1 COLLISION_ENERGY=0.0 57.0183 1900.0 65.0129 3700.0 66.8481 2100.0 69.3775 2300.0 101.1408 2200.0 109.9577 2400.0 121.0278 260000.0 137.993 3800.0 165.0175 30000.0 END IONS BEGIN IONS SCANS=292 PEPMASS=102.0117 CHARGE=-1 COLLISION_ENERGY=0.0 65.4404 2100.0 96.8879 3000.0 102.0081 31000.0 103.2731 1900.0 END IONS BEGIN IONS SCANS=293 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 50.0939 24000.0 57.9921 320000.0 66.8122 16000.0 68.0003 20000.0 70.4979 19000.0 85.0028 7000000.0 93.342 20000.0 97.3548 18000.0 END IONS BEGIN IONS SCANS=294 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.332 36000.0 57.992 650000.0 64.8471 34000.0 65.8173 37000.0 67.1471 38000.0 67.1505 36000.0 85.0027 12000000.0 85.5174 36000.0 88.893 32000.0 96.889 64000.0 END IONS BEGIN IONS SCANS=295 PEPMASS=103.0135 CHARGE=-1 COLLISION_ENERGY=0.0 55.1601 1900.0 59.0126 290000.0 67.942 2100.0 70.5821 1900.0 76.0049 30000.0 87.0734 2300.0 96.8899 2800.0 103.0162 67000.0 103.028 3000.0 109.1879 2100.0 END IONS BEGIN IONS SCANS=296 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 600000.0 68.0001 57000.0 85.0028 12000000.0 85.0133 58000.0 89.9401 34000.0 96.8895 68000.0 END IONS BEGIN IONS SCANS=297 PEPMASS=231.0274 CHARGE=-1 COLLISION_ENERGY=0.0 62.751 2300.0 64.1191 2200.0 79.7073 2200.0 96.8911 3100.0 97.6108 2400.0 111.0072 2700.0 130.0151 5300.0 131.0118 220000.0 169.0133 8000.0 187.0389 11000.0 231.0289 58000.0 END IONS BEGIN IONS SCANS=298 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 54.2873 4300.0 54.7159 4600.0 56.5678 4800.0 56.9062 5200.0 57.013 4300.0 57.5726 4400.0 59.0667 4100.0 59.2255 3900.0 59.8828 4900.0 60.119 4000.0 60.4959 5000.0 62.3922 3800.0 64.369 5500.0 64.4615 4700.0 65.5707 4400.0 66.2459 4700.0 67.2636 4000.0 68.0264 4100.0 68.0574 4200.0 68.1887 5900.0 68.357 4200.0 71.87 5000.0 72.3484 4200.0 74.2977 4500.0 75.3257 4200.0 76.9945 4600.0 78.0853 4500.0 78.5151 4400.0 80.0272 4800.0 80.1523 4800.0 80.9162 4500.0 83.0888 4000.0 85.0575 4800.0 85.5695 4700.0 86.9228 4700.0 88.1898 4500.0 90.9272 4300.0 91.9269 4400.0 92.9978 4500.0 93.1849 4700.0 93.238 4500.0 94.1589 4100.0 96.0379 5200.0 96.8906 5200.0 99.4385 4300.0 99.8986 4800.0 99.9099 4800.0 101.6287 5800.0 104.024 21000.0 106.9044 4200.0 107.5469 4200.0 112.0111 4200.0 116.004 5700.0 120.7725 4800.0 END IONS BEGIN IONS SCANS=299 PEPMASS=205.0122 CHARGE=-1 COLLISION_ENERGY=0.0 70.0089 2500.0 73.0276 2100.0 85.0275 2700.0 87.0047 19000.0 95.9966 2200.0 96.8908 3800.0 105.0154 46000.0 111.0071 24000.0 113.8599 2000.0 131.0118 110000.0 143.0137 4700.0 149.0229 5600.0 154.9964 4100.0 158.0109 3500.0 159.0069 320000.0 161.0224 8200.0 161.0417 6600.0 196.3912 2200.0 205.0131 9100.0 END IONS BEGIN IONS SCANS=300 PEPMASS=105.0151 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2000.0 65.9242 1800.0 70.1422 2000.0 82.9277 2000.0 88.8184 1900.0 96.4018 1800.0 96.8904 2800.0 102.4367 2300.0 END IONS BEGIN IONS SCANS=301 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 50.1438 8300.0 50.9986 9700.0 62.8239 8100.0 72.0751 9200.0 80.6199 9400.0 96.8849 30000.0 96.8911 46000.0 96.8987 9300.0 99.5934 7800.0 104.0238 20000.0 109.3114 8100.0 END IONS BEGIN IONS SCANS=302 PEPMASS=204.0157 CHARGE=-1 COLLISION_ENERGY=0.0 58.026 2200.0 58.0286 10000.0 71.0124 2700.0 73.028 4000.0 78.9502 2300.0 86.0088 11000.0 87.2432 2500.0 88.0386 41000.0 96.0435 2700.0 96.8885 4400.0 104.0192 27000.0 113.4377 2200.0 120.6313 2600.0 130.0154 93000.0 130.049 35000.0 132.0659 3100.0 148.0257 3800.0 158.0106 260000.0 160.0267 5400.0 160.0464 3800.0 204.0161 6000.0 204.0876 10000.0 END IONS BEGIN IONS SCANS=303 PEPMASS=204.0021 CHARGE=-1 COLLISION_ENERGY=0.0 51.6161 2500.0 56.5283 2300.0 70.9868 4800.0 81.0267 3000.0 92.9875 12000.0 96.8946 2900.0 98.9963 5500.0 99.0363 7800.0 99.917 6200.0 101.0153 8800.0 110.5359 2500.0 116.9186 66000.0 116.9859 23000.0 120.8868 5500.0 120.9805 27000.0 125.0139 43000.0 130.0064 180000.0 131.0027 160000.0 136.8911 7200.0 136.991 3600.0 137.888 13000.0 140.9852 11000.0 141.9169 81000.0 142.9132 310000.0 143.023 2900.0 143.9137 5900.0 144.9787 8200.0 145.0021 12000.0 148.0161 3400.0 149.0117 6500.0 157.9994 400000.0 158.9956 350000.0 159.0091 5400.0 159.9264 34000.0 160.0135 5400.0 160.2028 2600.0 160.9226 130000.0 161.0114 6700.0 161.9223 3300.0 164.9839 23000.0 166.1302 2300.0 174.9837 2300.0 184.9886 5800.0 187.01 12000.0 188.7582 2500.0 203.9313 5800.0 204.0021 7000.0 204.9267 14000.0 204.9751 8000.0 204.9969 12000.0 205.0188 7700.0 END IONS BEGIN IONS SCANS=304 PEPMASS=204.9988 CHARGE=-1 COLLISION_ENERGY=0.0 70.8181 2200.0 70.987 6700.0 92.9874 17000.0 96.8971 3400.0 98.9963 7400.0 99.0365 6900.0 99.9169 7600.0 101.0156 4400.0 112.9929 2700.0 115.0303 4200.0 116.9186 46000.0 116.9856 29000.0 117.9186 7500.0 120.8866 5700.0 120.9804 42000.0 125.0137 23000.0 125.3412 2100.0 125.863 3500.0 129.2671 2700.0 130.0063 3700.0 131.0027 250000.0 131.0105 3800.0 131.0131 4700.0 136.9904 3300.0 137.8882 25000.0 140.4021 2600.0 140.9854 17000.0 141.9166 6600.0 141.9361 2400.0 142.8644 2500.0 142.9132 300000.0 143.0227 3700.0 143.9129 32000.0 144.9784 11000.0 145.0021 7800.0 149.0123 6800.0 157.9998 5400.0 158.1709 2500.0 158.9957 510000.0 159.9945 3700.0 160.9226 130000.0 161.0107 14000.0 161.9224 15000.0 164.9837 43000.0 184.9891 14000.0 186.9183 4000.0 187.0104 4400.0 200.5074 2500.0 204.9271 18000.0 204.9772 12000.0 204.9966 12000.0 205.0165 6500.0 END IONS BEGIN IONS SCANS=305 PEPMASS=105.0081 CHARGE=-1 COLLISION_ENERGY=0.0 55.3493 2000.0 60.3897 2300.0 61.1792 1900.0 66.2432 2100.0 69.7073 2000.0 80.6917 2200.0 96.7072 2100.0 106.0321 3500.0 END IONS BEGIN IONS SCANS=306 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 50.4857 28000.0 51.5194 32000.0 55.7287 32000.0 57.9921 560000.0 59.3137 27000.0 59.3991 29000.0 60.4656 31000.0 67.996 30000.0 67.9999 70000.0 85.0028 11000000.0 85.0165 37000.0 END IONS BEGIN IONS SCANS=307 PEPMASS=135.9689 CHARGE=-1 COLLISION_ENERGY=0.0 51.5414 2400.0 55.2408 2000.0 56.8418 2100.0 65.0131 2700.0 70.5265 2100.0 79.9557 9200.0 80.1295 2100.0 80.9636 65000.0 96.8902 2300.0 105.9588 18000.0 120.6008 2400.0 135.9696 400000.0 136.0132 2000.0 142.729 2000.0 146.7779 2200.0 END IONS BEGIN IONS SCANS=308 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 55.4268 11000.0 56.2635 7800.0 57.1692 7800.0 60.4185 10000.0 62.9254 8100.0 63.3088 7700.0 72.857 10000.0 87.7577 11000.0 96.8878 11000.0 104.0241 20000.0 113.7375 8600.0 END IONS BEGIN IONS SCANS=309 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 53.6179 2400.0 53.901 2000.0 76.3966 1800.0 77.2909 2000.0 77.7846 2300.0 83.5926 2300.0 94.0586 2000.0 96.8909 3300.0 98.5154 2000.0 102.008 16000.0 105.7543 2000.0 109.9217 1900.0 119.0956 2300.0 END IONS BEGIN IONS SCANS=310 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 58.9895 2000.0 68.099 2100.0 68.334 2000.0 68.5649 1800.0 69.5374 2200.0 70.2797 2700.0 73.4853 2400.0 84.567 1900.0 86.0207 1900.0 96.8858 2300.0 96.8912 3300.0 END IONS BEGIN IONS SCANS=311 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 51.5213 39000.0 57.9921 530000.0 60.4661 35000.0 62.032 29000.0 68.0001 46000.0 71.9599 37000.0 79.8971 32000.0 85.0028 10000000.0 85.0134 55000.0 91.5251 36000.0 END IONS BEGIN IONS SCANS=312 PEPMASS=112.9837 CHARGE=-1 COLLISION_ENERGY=0.0 68.9943 370000.0 74.4179 2200.0 85.0024 4500.0 85.9978 3900.0 95.0974 2000.0 112.9839 14000.0 112.9976 11000.0 118.5483 2100.0 END IONS BEGIN IONS SCANS=313 PEPMASS=104.02 CHARGE=-1 COLLISION_ENERGY=0.0 51.5194 6100.0 59.3918 5900.0 67.5668 5500.0 70.9853 6400.0 72.5998 5500.0 89.3841 7600.0 94.7965 6500.0 104.024 14000.0 124.3754 6000.0 END IONS BEGIN IONS SCANS=314 PEPMASS=160.9226 CHARGE=-1 COLLISION_ENERGY=0.0 73.0226 3400.0 73.299 2800.0 79.3969 2300.0 82.6356 2900.0 85.0219 9400.0 85.0665 2400.0 86.9991 2200.0 88.7491 2400.0 92.9874 3800.0 94.9856 3400.0 96.8937 3700.0 99.9169 11000.0 112.0354 5800.0 112.9949 3300.0 113.0319 120000.0 113.0399 4000.0 114.0353 3200.0 115.0109 6700.0 115.911 8400.0 116.9015 9500.0 116.9186 1300000.0 116.9316 6100.0 116.9359 8600.0 116.9407 4000.0 117.9186 140000.0 118.9149 7600.0 120.9804 9200.0 124.7958 2400.0 131.0412 8300.0 140.9861 6000.0 141.004 3800.0 141.917 4400.0 142.634 2700.0 142.9132 480000.0 143.9132 44000.0 160.8291 3700.0 160.8792 7900.0 160.9225 260000.0 161.0101 3300.0 161.0221 4200.0 161.0496 44000.0 161.8809 5100.0 161.9224 28000.0 162.0501 3600.0 END IONS BEGIN IONS SCANS=315 PEPMASS=181.0576 CHARGE=-1 COLLISION_ENERGY=0.0 56.7377 1900.0 60.6004 2100.0 64.0976 2100.0 65.4647 2000.0 77.6807 2300.0 84.0175 2000.0 92.9113 4800.0 92.9875 3500.0 93.0261 2200.0 94.9855 4400.0 96.8952 2400.0 96.9515 15000.0 97.9229 2400.0 102.2435 2100.0 102.4386 2300.0 108.9812 10000.0 114.9243 12000.0 116.9183 3300.0 117.0059 12000.0 120.9805 3000.0 132.9797 9800.0 134.9935 5700.0 136.97 3400.0 137.0122 3100.0 138.0087 3800.0 140.9858 5000.0 143.9211 6600.0 152.9845 2400.0 160.9729 10000.0 160.99 4200.0 180.8679 2800.0 180.9614 4600.0 180.9764 30000.0 180.9978 6900.0 END IONS BEGIN IONS SCANS=316 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 51.5334 2500.0 54.7945 2200.0 56.1479 2200.0 59.0125 17000.0 60.7971 2500.0 65.0132 930000.0 65.0203 6600.0 96.8904 3500.0 101.0234 3500.0 113.0404 2800.0 118.9912 6900.0 125.7972 2400.0 162.8376 14000.0 163.0585 4500.0 178.3399 2200.0 END IONS BEGIN IONS SCANS=317 PEPMASS=103.0152 CHARGE=-1 COLLISION_ENERGY=0.0 52.1371 2500.0 59.0124 130000.0 61.2108 2200.0 76.0049 17000.0 83.3137 1900.0 96.8888 2800.0 103.0162 47000.0 103.0282 4000.0 123.1157 2000.0 END IONS BEGIN IONS SCANS=318 PEPMASS=181.069 CHARGE=-1 COLLISION_ENERGY=0.0 53.4034 2100.0 56.9863 2400.0 82.8509 1900.0 83.0233 6500.0 90.0658 1900.0 95.3869 2200.0 96.1695 2600.0 136.9087 2900.0 191.6608 2300.0 END IONS BEGIN IONS SCANS=319 PEPMASS=310.9468 CHARGE=-1 COLLISION_ENERGY=0.0 51.4203 2700.0 77.0347 2900.0 77.6669 2600.0 83.9948 24000.0 85.0026 110000.0 87.9235 6000.0 101.9264 2700.0 102.935 6900.0 103.9185 10000.0 104.9267 10000.0 105.9343 12000.0 106.9424 2600.0 111.0336 2900.0 111.9349 7000.0 113.9267 5700.0 115.9424 54000.0 118.9212 2200.0 123.9443 44000.0 124.9435 3200.0 128.9373 13000.0 129.9455 3200.0 132.9451 3000.0 140.9382 8000.0 146.948 3800.0 147.9565 7000.0 148.9403 5700.0 156.9344 2600.0 173.9366 7000.0 175.952 5300.0 183.9437 14000.0 184.0195 3600.0 188.4264 2400.0 191.9464 29000.0 199.5942 2500.0 241.9376 6000.0 242.9462 10000.0 243.952 5400.0 259.9472 34000.0 272.4962 2500.0 310.949 8700.0 311.1685 61000.0 END IONS BEGIN IONS SCANS=320 PEPMASS=431.1181 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 330000.0 57.0373 4500.0 58.553 3200.0 59.0123 36000.0 60.9497 3000.0 63.5033 2900.0 64.5629 2600.0 69.0333 3400.0 71.0122 19000.0 73.0279 4800.0 76.2388 2800.0 81.0329 3300.0 83.0119 3500.0 85.0278 4000.0 96.895 3800.0 97.0276 46000.0 99.0435 270000.0 101.0226 64000.0 113.0222 10000.0 125.0225 510000.0 125.0411 3800.0 143.0326 8600.0 161.044 20000.0 203.0545 11000.0 225.077 4100.0 243.0862 11000.0 287.0046 3000.0 329.0877 28000.0 369.1196 14000.0 405.8038 3100.0 431.1203 52000.0 END IONS BEGIN IONS SCANS=321 PEPMASS=191.0177 CHARGE=-11 COLLISION_ENERGY=0.0 146.9369 5900.0 152.835 2100.0 170.9858 2600.0 173.0073 2500.0 191.0184 17000.0 279.1904 2300.0 350.6375 2200.0 690.0105 2400.0 988.067 2800.0 1266.3784 2600.0 1815.09 2700.0 END IONS BEGIN IONS SCANS=322 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 50.6944 37000.0 57.9921 520000.0 66.7626 42000.0 68.0001 58000.0 84.9921 72000.0 85.0029 11000000.0 90.5558 38000.0 91.7573 33000.0 END IONS BEGIN IONS SCANS=323 PEPMASS=393.1749 CHARGE=-1 COLLISION_ENERGY=0.0 54.0675 2200.0 59.0124 5800.0 67.1901 2600.0 71.0122 6400.0 75.0073 7700.0 85.0279 10000.0 87.007 5200.0 95.0118 3800.0 99.0068 3200.0 107.4718 2400.0 113.0226 13000.0 116.0519 2200.0 123.919 2400.0 143.1061 77000.0 151.7939 2300.0 179.1049 2500.0 224.97 2500.0 249.0597 14000.0 365.3832 3100.0 393.177 72000.0 END IONS BEGIN IONS SCANS=324 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 50.923 5200.0 51.5238 4900.0 51.922 6400.0 52.8893 6000.0 53.193 6000.0 53.2098 6900.0 53.2192 5900.0 53.9659 5700.0 54.2016 6400.0 55.3634 7400.0 56.4288 5600.0 57.0885 5800.0 57.6362 5900.0 57.6827 6200.0 58.9995 5800.0 59.3028 6000.0 59.3329 6500.0 59.3387 7800.0 60.3216 4900.0 60.382 5500.0 60.4681 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BEGIN IONS SCANS=326 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 690000.0 66.0101 38000.0 68.0 56000.0 85.0028 12000000.0 96.8854 42000.0 96.8909 39000.0 END IONS BEGIN IONS SCANS=327 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.715 42000.0 55.0756 43000.0 57.9921 770000.0 67.9996 61000.0 85.0028 14000000.0 94.4814 40000.0 96.8897 64000.0 END IONS BEGIN IONS SCANS=328 PEPMASS=103.0133 CHARGE=-1 COLLISION_ENERGY=0.0 58.5986 2200.0 59.0127 610000.0 67.0224 1900.0 76.0051 23000.0 92.1454 2200.0 96.8916 2300.0 103.0023 14000.0 103.016 61000.0 103.0285 3200.0 END IONS BEGIN IONS SCANS=329 PEPMASS=112.9837 CHARGE=-1 COLLISION_ENERGY=0.0 52.9021 2000.0 53.557 2200.0 68.9943 250000.0 68.9997 2900.0 85.0027 3400.0 85.9982 2800.0 95.6035 2000.0 96.8875 2500.0 112.9846 8100.0 112.9973 13000.0 114.7352 2300.0 115.7753 2000.0 END IONS BEGIN IONS SCANS=330 PEPMASS=134.0457 CHARGE=-1 COLLISION_ENERGY=0.0 65.013 8000.0 68.0238 9700.0 70.6977 3700.0 72.808 3900.0 80.0238 4100.0 89.2937 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2100.0 159.4267 2000.0 159.8787 3000.0 170.044 39000.0 188.0553 49000.0 END IONS BEGIN IONS SCANS=338 PEPMASS=188.0545 CHARGE=-1 COLLISION_ENERGY=0.0 50.4272 2300.0 58.0286 7900.0 59.0123 52000.0 61.3865 2100.0 65.013 18000.0 65.9973 3300.0 84.044 3200.0 87.9237 3500.0 93.3953 2100.0 96.8882 3900.0 99.9254 2900.0 99.9336 2200.0 99.9475 74000.0 100.0389 3600.0 100.0751 33000.0 102.0544 140000.0 111.5662 2300.0 126.0547 11000.0 128.0335 150000.0 128.3309 2700.0 141.0192 2700.0 141.8672 5500.0 143.9376 21000.0 144.0651 62000.0 146.0446 15000.0 170.0446 39000.0 175.7547 2400.0 188.0554 55000.0 END IONS BEGIN IONS SCANS=339 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 55.3338 38000.0 56.9945 39000.0 57.9922 610000.0 63.9407 32000.0 70.6596 39000.0 71.8024 45000.0 85.0028 12000000.0 90.0886 35000.0 END IONS BEGIN IONS SCANS=340 PEPMASS=86.0056 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2000.0 57.9921 8500.0 58.989 2400.0 58.9955 6700.0 73.2599 3100.0 76.4474 2600.0 86.0 75000.0 86.0062 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266.0894 47000.0 312.0952 7100.0 312.1718 8100.0 END IONS BEGIN IONS SCANS=356 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.5613 7900.0 61.5117 7100.0 79.681 8500.0 85.5064 8100.0 91.0663 8600.0 92.6102 7600.0 96.887 14000.0 104.0242 25000.0 104.3041 9000.0 122.7214 7900.0 124.1581 8800.0 END IONS BEGIN IONS SCANS=357 PEPMASS=103.0129 CHARGE=-1 COLLISION_ENERGY=0.0 51.512 2200.0 55.107 1900.0 59.0081 3000.0 59.0089 3400.0 59.0125 180000.0 71.9532 2000.0 76.005 25000.0 96.8879 2800.0 103.0161 51000.0 END IONS BEGIN IONS SCANS=358 PEPMASS=293.124 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 42000.0 60.4582 2200.0 60.4876 2300.0 71.0123 23000.0 75.9228 2200.0 78.6852 2200.0 78.8072 2200.0 85.0276 3700.0 85.0641 12000.0 89.0228 28000.0 101.0228 27000.0 113.0225 14000.0 113.0589 5200.0 115.0747 4100.0 118.3895 2600.0 118.7259 2300.0 119.0328 14000.0 131.0697 130000.0 293.1245 350000.0 END IONS BEGIN IONS SCANS=359 PEPMASS=449.1177 CHARGE=-1 COLLISION_ENERGY=0.0 53.9303 2600.0 55.4319 2900.0 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8100.0 200.0554 39000.0 214.1874 2300.0 243.0619 170000.0 274.2631 2400.0 END IONS BEGIN IONS SCANS=376 PEPMASS=191.0177 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 11000.0 58.9578 2700.0 73.2918 2400.0 76.9793 2200.0 85.028 65000.0 87.0072 110000.0 87.9234 3400.0 96.8869 7400.0 96.8925 2800.0 102.9472 46000.0 111.0073 300000.0 129.0175 13000.0 146.9373 16000.0 173.0081 7600.0 191.0189 35000.0 END IONS BEGIN IONS SCANS=377 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 52.1051 1600.0 52.1164 1600.0 52.4947 1600.0 52.5676 1600.0 53.93 1800.0 54.1567 1800.0 54.6495 1600.0 54.9127 1600.0 55.4607 1800.0 55.6875 1600.0 55.9841 1700.0 56.4641 1400.0 56.6623 1800.0 58.4188 1600.0 58.5762 1800.0 59.7609 1900.0 60.6504 1900.0 60.7791 1500.0 61.0647 1800.0 61.0963 1800.0 63.3038 1800.0 63.4403 1400.0 65.609 1800.0 66.2906 1900.0 66.4726 1800.0 67.3585 2300.0 68.6673 1400.0 69.1009 2100.0 69.8772 1600.0 70.8674 1600.0 71.2221 2100.0 71.3027 1700.0 72.3395 1800.0 74.6388 1700.0 75.0456 1900.0 75.7847 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CHARGE=-1 COLLISION_ENERGY=0.0 51.5216 28000.0 52.3786 33000.0 57.992 480000.0 68.0002 61000.0 85.0029 10000000.0 85.0132 61000.0 END IONS BEGIN IONS SCANS=380 PEPMASS=579.173 CHARGE=-1 COLLISION_ENERGY=0.0 53.7491 2900.0 70.0285 10000.0 72.0442 3800.0 74.0231 51000.0 80.0116 3000.0 88.343 4000.0 96.016 2700.0 96.8881 4400.0 98.0235 11000.0 108.9147 3300.0 116.0337 18000.0 116.0495 8900.0 146.7731 2600.0 158.0626 3300.0 159.0921 5000.0 194.4711 3000.0 201.1038 7900.0 203.0819 92000.0 241.8644 3200.0 245.0928 330000.0 289.0843 8400.0 301.631 3300.0 318.7191 2900.0 335.5359 3400.0 593.4155 3000.0 END IONS BEGIN IONS SCANS=381 PEPMASS=579.1708 CHARGE=-1 COLLISION_ENERGY=0.0 50.5396 2600.0 58.0287 3400.0 59.7966 2900.0 69.4846 3100.0 70.0008 2700.0 70.0284 8800.0 74.0232 40000.0 90.2371 3000.0 98.0236 3500.0 116.034 15000.0 116.049 10000.0 201.1027 8900.0 203.082 76000.0 245.0576 3300.0 245.0627 4800.0 245.0928 250000.0 245.1241 5200.0 245.1283 3600.0 289.0821 6900.0 305.8939 3100.0 END IONS BEGIN IONS SCANS=382 PEPMASS=103.0127 CHARGE=-1 COLLISION_ENERGY=0.0 52.426 2000.0 53.273 2000.0 55.8231 2000.0 57.3294 2000.0 59.0125 130000.0 65.2853 1900.0 68.5982 2000.0 72.7307 2000.0 76.005 21000.0 77.3382 2000.0 78.918 2600.0 88.0057 2100.0 96.8867 2900.0 103.0163 45000.0 103.0279 2400.0 105.499 2100.0 END IONS BEGIN IONS SCANS=383 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 65.0131 610000.0 65.0168 6200.0 74.4045 2100.0 90.255 2000.0 91.3478 2000.0 96.8855 3700.0 96.8919 4800.0 106.2368 2400.0 107.292 2200.0 118.9913 5400.0 139.6414 2000.0 162.8378 3100.0 163.0049 2200.0 END IONS BEGIN IONS SCANS=384 PEPMASS=245.0921 CHARGE=-1 COLLISION_ENERGY=0.0 58.0284 69000.0 70.0282 63000.0 70.7936 2600.0 72.0076 8100.0 72.0438 16000.0 72.4301 5800.0 74.0232 410000.0 80.5519 3100.0 96.8865 17000.0 96.8934 5800.0 98.0228 78000.0 110.0229 3900.0 116.0336 120000.0 116.0487 100000.0 130.0647 14000.0 142.0644 24000.0 159.0914 29000.0 169.3937 2700.0 183.0915 9500.0 186.055 8700.0 201.1024 51000.0 203.0816 510000.0 245.0923 320000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 58.4951 5300.0 62.856 5900.0 65.0392 5900.0 66.2174 6100.0 74.365 5700.0 75.2055 6800.0 89.6073 5300.0 93.1731 5300.0 96.8877 6800.0 100.4862 7000.0 104.0241 16000.0 109.5934 5300.0 110.3793 6400.0 115.1306 5900.0 END IONS BEGIN IONS SCANS=386 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.1959 8600.0 57.4882 7600.0 58.4377 8400.0 70.5602 9200.0 74.4051 9000.0 85.3916 9600.0 96.8882 17000.0 100.5564 9300.0 104.0237 24000.0 104.7094 9800.0 109.2397 8600.0 END IONS BEGIN IONS SCANS=387 PEPMASS=188.0255 CHARGE=-1 COLLISION_ENERGY=0.0 62.2344 2300.0 62.9577 2000.0 64.0052 2500.0 64.8913 2100.0 65.0131 12000.0 65.9975 2200.0 74.2064 2100.0 82.0365 3300.0 82.4293 2200.0 83.4955 2300.0 87.9238 8200.0 96.89 2800.0 99.0437 23000.0 99.9244 2900.0 99.9474 90000.0 100.0467 59000.0 115.0387 6300.0 116.0418 16000.0 125.0226 35000.0 126.026 200000.0 129.4856 2500.0 138.5073 2300.0 141.0194 3000.0 143.0339 3600.0 143.9375 29000.0 144.0366 21000.0 188.0273 40000.0 END IONS BEGIN IONS SCANS=388 PEPMASS=125.022 CHARGE=-1 COLLISION_ENERGY=0.0 51.5375 3600.0 65.6332 2300.0 67.4943 2000.0 74.23 2100.0 74.5002 1900.0 81.033 6600.0 81.5337 2100.0 96.8894 6100.0 125.023 9700.0 130.7579 2100.0 138.3811 1900.0 END IONS BEGIN IONS SCANS=389 PEPMASS=187.0245 CHARGE=-1 COLLISION_ENERGY=0.0 67.0175 11000.0 71.0486 12000.0 81.0328 52000.0 94.6942 7300.0 96.8914 8800.0 99.0435 930000.0 115.0382 180000.0 125.0229 2700000.0 125.0389 15000.0 125.0413 10000.0 143.0335 270000.0 187.0236 410000.0 END IONS BEGIN IONS SCANS=390 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 370000.0 68.0 33000.0 85.0028 7700000.0 90.1817 23000.0 96.8888 58000.0 END IONS BEGIN IONS SCANS=391 PEPMASS=102.0115 CHARGE=-1 COLLISION_ENERGY=0.0 55.1007 2800.0 60.1831 2200.0 67.811 2900.0 77.6558 2300.0 79.8274 2200.0 96.8881 3100.0 102.0081 29000.0 END IONS BEGIN IONS SCANS=392 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121.4247 2200.0 129.0174 12000.0 142.9928 2200.0 146.938 8000.0 191.0186 23000.0 209.6073 2600.0 END IONS BEGIN IONS SCANS=408 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 390000.0 61.2953 33000.0 68.0 35000.0 82.5611 32000.0 85.0029 9600000.0 96.89 55000.0 END IONS BEGIN IONS SCANS=409 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.5181 8800.0 57.6455 6700.0 59.6142 6400.0 60.5098 6200.0 62.0292 7000.0 68.5303 8400.0 76.5709 6700.0 79.2136 6100.0 96.8881 9600.0 104.0238 22000.0 106.9455 7200.0 124.659 6800.0 END IONS BEGIN IONS SCANS=410 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 50.2391 37000.0 50.8693 39000.0 53.6381 35000.0 57.9921 660000.0 64.0372 43000.0 67.9999 48000.0 69.1435 45000.0 85.0028 13000000.0 96.8897 61000.0 END IONS BEGIN IONS SCANS=411 PEPMASS=297.1179 CHARGE=-1 COLLISION_ENERGY=0.0 50.327 2400.0 50.8898 2600.0 51.5201 2600.0 52.6295 2200.0 57.1303 2200.0 60.3411 2100.0 61.4353 2400.0 71.0126 2900.0 76.2447 2600.0 77.307 2300.0 96.8882 3200.0 101.0228 3000.0 161.0438 2700.0 251.1149 11000.0 297.1533 17000.0 END IONS BEGIN IONS SCANS=412 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 390000.0 61.2953 33000.0 68.0 35000.0 82.5611 32000.0 85.0029 9600000.0 96.89 55000.0 END IONS BEGIN IONS SCANS=413 PEPMASS=104.0319 CHARGE=-1 COLLISION_ENERGY=0.0 50.5674 7200.0 59.8851 8800.0 64.0417 6700.0 73.0458 8700.0 77.2167 8800.0 77.3379 7800.0 77.5526 7600.0 88.4384 10000.0 95.3583 7800.0 96.8855 15000.0 96.8915 21000.0 104.024 15000.0 END IONS BEGIN IONS SCANS=414 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 50.5972 8800.0 51.8241 8300.0 52.2414 7900.0 52.4695 8800.0 53.0578 8600.0 53.7463 7900.0 54.0103 7500.0 54.365 8600.0 55.1507 11000.0 55.4144 11000.0 55.7717 8300.0 55.779 8600.0 55.8072 10000.0 55.8619 8700.0 56.8931 10000.0 56.9897 7900.0 57.0323 8300.0 57.1273 8200.0 57.1543 7900.0 57.4249 8400.0 57.7427 7900.0 58.1734 9100.0 58.2574 9300.0 58.5225 9300.0 60.7374 9800.0 61.1891 9700.0 61.4403 8100.0 61.6813 8000.0 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67.9999 48000.0 69.1435 45000.0 85.0028 13000000.0 96.8897 61000.0 END IONS BEGIN IONS SCANS=416 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 67.9999 41000.0 70.4698 31000.0 70.5451 33000.0 71.1678 32000.0 85.0028 10000000.0 92.5848 35000.0 96.8896 60000.0 100.1425 34000.0 END IONS BEGIN IONS SCANS=417 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 53.5184 4200.0 56.6772 3700.0 59.0124 21000.0 60.0159 46000.0 71.9624 4500.0 72.6691 4200.0 72.7237 7300.0 74.1138 4000.0 96.8861 15000.0 96.8925 14000.0 104.0068 4000.0 104.0245 6800.0 107.0989 4200.0 END IONS BEGIN IONS SCANS=418 PEPMASS=187.9256 CHARGE=-15 COLLISION_ENERGY=0.0 243.4828 2300.0 503.4354 2200.0 1770.5806 3200.0 1978.6241 3200.0 END IONS BEGIN IONS SCANS=419 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 52.668 2200.0 59.0126 6300.0 59.3649 1900.0 61.0168 4900.0 71.9881 2300.0 75.5354 2000.0 87.9244 2000.0 91.6403 2400.0 96.8875 3300.0 97.3668 1800.0 101.6387 2100.0 101.7168 2000.0 115.8828 1900.0 END IONS BEGIN IONS SCANS=420 PEPMASS=274.0906 CHARGE=-1 COLLISION_ENERGY=0.0 58.4 2100.0 70.8897 2400.0 71.0122 17000.0 88.0386 38000.0 95.0494 3000.0 97.064 46000.0 114.0907 5100.0 114.6141 2600.0 115.0019 17000.0 132.0288 8300.0 135.9044 2400.0 140.0701 3700.0 153.1471 2300.0 158.0806 110000.0 159.0645 41000.0 168.1038 3100.0 212.0925 8200.0 230.1028 13000.0 256.0815 3300.0 274.0923 73000.0 END IONS BEGIN IONS SCANS=421 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 50.126 48000.0 57.9921 590000.0 85.0028 12000000.0 87.1916 55000.0 92.53 40000.0 96.8912 59000.0 END IONS BEGIN IONS SCANS=422 PEPMASS=174.038 CHARGE=-1 COLLISION_ENERGY=0.0 52.8361 2000.0 59.0124 4600.0 65.6015 2100.0 84.0436 4400.0 86.0594 44000.0 88.8605 2100.0 96.8895 4100.0 99.9238 2500.0 102.0543 6500.0 107.5484 2500.0 112.0388 38000.0 115.6973 2200.0 128.0336 180000.0 130.0492 76000.0 146.045 6800.0 156.0284 32000.0 174.0397 36000.0 END IONS BEGIN IONS SCANS=423 PEPMASS=104.0329 CHARGE=-1 COLLISION_ENERGY=0.0 59.4948 8500.0 65.7236 9400.0 67.1318 9000.0 78.6947 9000.0 86.1441 8900.0 87.6567 8400.0 96.8908 15000.0 104.0236 20000.0 107.6493 9500.0 115.145 9400.0 117.9303 8900.0 END IONS BEGIN IONS SCANS=424 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 51.6847 33000.0 53.4267 33000.0 57.888 36000.0 57.992 590000.0 63.7029 36000.0 82.3319 34000.0 85.0028 12000000.0 96.8891 66000.0 END IONS BEGIN IONS SCANS=425 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 54.9119 2000.0 57.9918 2100.0 59.6929 2000.0 87.3901 2100.0 87.6614 1800.0 102.0083 30000.0 117.5148 2200.0 END IONS BEGIN IONS SCANS=426 PEPMASS=87.0067 CHARGE=-1 COLLISION_ENERGY=0.0 51.5858 1800.0 59.0127 2600.0 59.6601 1800.0 59.9964 4000.0 82.0507 2000.0 87.007 94000.0 96.8918 2500.0 END IONS BEGIN IONS SCANS=427 PEPMASS=104.0284 CHARGE=-1 COLLISION_ENERGY=0.0 51.514 6400.0 54.461 5900.0 55.2597 5500.0 60.0158 6500.0 63.5588 5700.0 74.8322 5200.0 81.7949 5800.0 96.8903 10000.0 100.4858 6200.0 104.0238 21000.0 END IONS BEGIN IONS SCANS=428 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150000.0 END IONS BEGIN IONS SCANS=430 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 56.4316 6000.0 59.0126 31000.0 60.0157 57000.0 69.5429 5700.0 85.5998 6000.0 89.1628 7100.0 96.8891 13000.0 97.4396 5400.0 102.9801 5400.0 104.0242 14000.0 117.2721 5500.0 END IONS BEGIN IONS SCANS=431 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 1600.0 50.3707 1500.0 50.4287 1500.0 50.4553 1900.0 50.8007 1800.0 51.2379 1700.0 51.5183 1700.0 51.7387 1500.0 51.8636 1500.0 52.1012 1400.0 53.3383 1400.0 53.8841 1700.0 55.9786 1500.0 57.4389 1500.0 57.9402 1500.0 58.6249 1900.0 59.5172 1600.0 60.173 1700.0 60.4755 1600.0 61.3747 1500.0 62.159 1400.0 63.0391 2000.0 63.69 1600.0 64.1786 1800.0 64.7211 1400.0 64.8625 1600.0 65.9004 1400.0 66.1732 1400.0 66.2421 1500.0 66.4867 1500.0 67.8186 1700.0 68.909 1700.0 69.4484 1800.0 71.124 1700.0 71.2258 1500.0 74.1917 1600.0 74.994 1500.0 75.5724 1600.0 76.0684 1600.0 78.0928 1900.0 79.1244 2300.0 79.3183 1600.0 80.3469 1700.0 82.2141 1800.0 82.5392 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65.5774 2200.0 73.0279 120000.0 90.999 2500.0 95.0485 46000.0 96.8891 2800.0 111.0436 12000.0 113.0589 12000.0 129.0542 18000.0 131.0708 2700.0 157.0493 14000.0 175.0278 2800.0 175.0599 590000.0 END IONS BEGIN IONS SCANS=435 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.8789 37000.0 57.2927 38000.0 57.9919 620000.0 58.4047 34000.0 58.773 37000.0 65.1863 33000.0 68.0002 44000.0 72.6326 37000.0 74.8732 39000.0 82.8177 40000.0 84.9921 78000.0 85.0027 13000000.0 END IONS BEGIN IONS SCANS=436 PEPMASS=104.02 CHARGE=-1 COLLISION_ENERGY=0.0 53.6477 6400.0 60.0157 8500.0 90.6208 7800.0 96.891 12000.0 104.024 22000.0 109.1842 7600.0 115.8504 7500.0 END IONS BEGIN IONS SCANS=437 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 650000.0 85.0027 12000000.0 85.8892 43000.0 88.0998 45000.0 96.8908 84000.0 END IONS BEGIN IONS SCANS=438 PEPMASS=85.0061 CHARGE=-1 COLLISION_ENERGY=0.0 50.7635 31000.0 51.4107 35000.0 57.9921 640000.0 68.0546 37000.0 85.0029 13000000.0 85.0135 75000.0 END IONS 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113.0228 2500.0 129.0183 8700.0 137.023 48000.0 143.0341 9100.0 146.0354 2300.0 155.034 17000.0 173.0443 24000.0 178.3513 2200.0 193.4821 2400.0 END IONS BEGIN IONS SCANS=442 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.4238 7500.0 53.5105 8600.0 59.0124 9600.0 60.0158 22000.0 65.8189 7700.0 73.5823 7200.0 96.889 10000.0 104.0239 13000.0 END IONS BEGIN IONS SCANS=443 PEPMASS=267.0709 CHARGE=-1 COLLISION_ENERGY=0.0 66.777 2300.0 108.0189 11000.0 151.0246 400000.0 177.0407 12000.0 247.6156 2600.0 267.0726 150000.0 267.1125 3000.0 END IONS BEGIN IONS SCANS=444 PEPMASS=104.0328 CHARGE=-1 COLLISION_ENERGY=0.0 53.6477 6400.0 60.0157 8500.0 90.6208 7800.0 96.891 12000.0 104.024 22000.0 109.1842 7600.0 115.8504 7500.0 END IONS BEGIN IONS SCANS=445 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 650000.0 85.0027 12000000.0 85.8892 43000.0 88.0998 45000.0 96.8908 84000.0 END IONS BEGIN IONS SCANS=446 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 50.3928 5200.0 50.9915 4400.0 51.0567 4600.0 51.4668 4900.0 51.8417 5500.0 53.056 4800.0 54.8816 4800.0 55.098 4800.0 56.8231 4700.0 59.0588 5800.0 60.0157 5500.0 60.1271 5900.0 61.2078 5300.0 61.2429 5500.0 62.1446 4500.0 62.1664 4700.0 63.4951 4600.0 65.8274 5000.0 65.9663 4100.0 66.7667 4500.0 67.8757 4900.0 68.8212 5600.0 69.2115 4900.0 69.6235 4500.0 72.6542 4900.0 74.918 5200.0 77.5505 4900.0 78.3395 4600.0 78.4718 4900.0 78.5901 4500.0 79.6002 4100.0 80.0544 4700.0 80.3233 4700.0 82.1821 4600.0 83.5621 4100.0 84.3642 5800.0 85.468 4500.0 85.6313 5400.0 85.7671 4100.0 85.933 4300.0 87.2758 5000.0 87.8938 4400.0 87.9517 4300.0 88.5402 4700.0 89.564 5300.0 91.0751 4500.0 92.1067 4500.0 92.5846 4300.0 95.6915 5100.0 96.8919 5100.0 98.6714 5300.0 99.1618 5300.0 99.4296 5000.0 99.6042 5300.0 99.8857 4700.0 104.0241 18000.0 105.5384 5000.0 105.5825 4600.0 108.549 5000.0 108.5993 4400.0 112.8344 5300.0 117.5074 4600.0 117.8631 4400.0 118.6939 4800.0 119.0019 5000.0 119.9263 5700.0 121.1627 5500.0 124.1459 5600.0 124.8143 5600.0 END IONS BEGIN IONS SCANS=447 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 51.5968 35000.0 57.9922 520000.0 68.0001 37000.0 85.0029 11000000.0 85.0135 64000.0 END IONS BEGIN IONS SCANS=448 PEPMASS=84.9945 CHARGE=-1 COLLISION_ENERGY=0.0 51.5762 36000.0 55.6088 34000.0 57.9922 590000.0 61.2768 36000.0 68.0002 39000.0 85.0029 11000000.0 96.8863 35000.0 END IONS BEGIN IONS SCANS=449 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 58.4669 34000.0 68.0001 54000.0 84.9924 61000.0 85.0028 12000000.0 END IONS BEGIN IONS SCANS=450 PEPMASS=103.01 CHARGE=-1 COLLISION_ENERGY=0.0 51.5507 3000.0 59.0065 11000.0 59.0127 1500000.0 70.9872 2500.0 76.0049 21000.0 77.078 4600.0 96.8867 3600.0 103.0022 60000.0 103.0158 39000.0 END IONS BEGIN IONS SCANS=451 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 7900.0 60.0156 23000.0 60.4928 5600.0 65.4471 4800.0 69.3324 5000.0 77.9179 4600.0 81.5259 4900.0 96.8885 9400.0 104.0239 10000.0 112.7663 5300.0 END IONS BEGIN 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433.1143 410000.0 END IONS BEGIN IONS SCANS=455 PEPMASS=537.1217 CHARGE=-1 COLLISION_ENERGY=0.0 56.081 2700.0 56.3114 2800.0 59.0123 21000.0 69.2636 2600.0 96.8862 3300.0 96.8918 3000.0 103.002 57000.0 115.9361 2600.0 133.6537 2800.0 190.574 2600.0 253.0497 21000.0 271.0589 4900.0 327.0712 4500.0 391.5549 3100.0 433.1144 85000.0 552.637 3200.0 563.0912 4100.0 END IONS BEGIN IONS SCANS=456 PEPMASS=103.0026 CHARGE=-1 COLLISION_ENERGY=0.0 54.4259 8000.0 54.9085 7600.0 59.0065 21000.0 59.0126 3400000.0 60.6197 8300.0 65.9683 8000.0 70.9735 7300.0 76.0053 27000.0 83.7938 8000.0 91.3952 7900.0 96.8904 21000.0 103.0022 150000.0 103.0156 46000.0 122.3179 8000.0 END IONS BEGIN IONS SCANS=457 PEPMASS=104.0315 CHARGE=-1 COLLISION_ENERGY=0.0 56.7923 6200.0 56.8166 8500.0 58.7085 6800.0 59.0125 13000.0 60.0156 42000.0 73.5512 7700.0 78.9213 7400.0 82.6152 7000.0 89.3318 7400.0 104.0241 14000.0 END IONS BEGIN IONS SCANS=458 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 590000.0 68.0001 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2300.0 173.0088 7800.0 191.019 62000.0 END IONS BEGIN IONS SCANS=461 PEPMASS=142.049 CHARGE=-1 COLLISION_ENERGY=0.0 51.5359 2400.0 53.7984 2200.0 58.0285 3600.0 58.1207 2100.0 64.6004 1900.0 96.8877 3900.0 98.0594 5400.0 100.0387 70000.0 115.012 2700.0 141.8943 2600.0 142.0233 2600.0 142.0391 13000.0 142.0502 4000.0 END IONS BEGIN IONS SCANS=462 PEPMASS=351.1289 CHARGE=-1 COLLISION_ENERGY=0.0 51.5351 2500.0 53.4894 2400.0 59.907 2300.0 73.0276 25000.0 90.8942 2800.0 90.9895 2400.0 93.0324 4600.0 95.0485 11000.0 96.8904 5400.0 111.0433 10000.0 113.0589 5600.0 121.0275 7600.0 135.6687 2600.0 149.2529 2600.0 155.0332 6300.0 157.0491 5500.0 173.0437 26000.0 175.0281 3300.0 175.0597 660000.0 225.3677 2600.0 234.6013 2800.0 289.2776 2600.0 306.4697 2800.0 351.1286 7200.0 END IONS BEGIN IONS SCANS=463 PEPMASS=175.0607 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 25000.0 58.0043 16000.0 71.0122 28000.0 73.0279 1100000.0 73.0332 37000.0 83.0482 20000.0 85.0276 58000.0 93.0327 320000.0 95.0483 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370000.0 END IONS BEGIN IONS SCANS=466 PEPMASS=191.0186 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 9400.0 57.4505 2100.0 58.9578 2900.0 78.2291 2200.0 85.0278 68000.0 87.0072 110000.0 96.8884 3100.0 101.0236 2500.0 102.9475 35000.0 108.3318 2300.0 111.0072 320000.0 129.0172 20000.0 139.9394 2400.0 141.5176 2100.0 146.9372 9900.0 173.0085 4800.0 191.019 39000.0 END IONS BEGIN IONS SCANS=467 PEPMASS=221.0657 CHARGE=-1 COLLISION_ENERGY=0.0 60.3566 2100.0 73.0278 4100.0 78.8026 2400.0 80.6532 2500.0 82.5436 2300.0 95.3223 2600.0 96.5224 2400.0 96.8892 2800.0 102.1344 2300.0 173.0441 2500.0 175.0598 82000.0 213.555 2000.0 END IONS BEGIN IONS SCANS=468 PEPMASS=133.0119 CHARGE=-1 COLLISION_ENERGY=0.0 71.0122 45000.0 72.9915 11000.0 81.9557 2000.0 86.5548 2500.0 89.0225 6800.0 96.8888 3800.0 98.0225 2100.0 108.653 2000.0 115.002 88000.0 116.2655 2100.0 132.8515 2500.0 132.8663 200000.0 133.0126 19000.0 141.8627 2100.0 146.4742 2400.0 147.0084 2000.0 END IONS BEGIN IONS SCANS=469 PEPMASS=134.863 CHARGE=-1 COLLISION_ENERGY=0.0 51.5406 2400.0 53.7488 1900.0 75.0332 2300.0 77.8579 2100.0 96.887 2400.0 100.4274 1800.0 122.8561 2300.0 134.8638 270000.0 146.8338 2200.0 END IONS BEGIN IONS SCANS=470 PEPMASS=104.0053 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 6700.0 59.0126 17000.0 60.0158 38000.0 60.4827 4500.0 64.9111 4700.0 72.5466 11000.0 79.0229 4900.0 96.8847 10000.0 96.8915 29000.0 104.024 18000.0 108.2149 4700.0 END IONS BEGIN IONS SCANS=471 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 54.6993 9700.0 59.0127 3300000.0 63.0257 7700.0 76.0053 35000.0 77.0783 8800.0 96.8889 15000.0 102.4986 8800.0 103.0022 150000.0 103.0163 53000.0 109.9532 9200.0 END IONS BEGIN IONS SCANS=472 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 500000.0 68.0002 39000.0 69.7983 36000.0 72.7776 56000.0 85.0028 9600000.0 96.8845 54000.0 96.8904 170000.0 96.8976 35000.0 99.5792 32000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=103.0025 CHARGE=-1 COLLISION_ENERGY=0.0 58.9971 6000.0 59.0127 3900000.0 59.0189 23000.0 68.5486 7200.0 74.6168 7700.0 76.0052 36000.0 77.0779 8700.0 96.8872 8200.0 103.0022 160000.0 103.016 56000.0 118.023 7700.0 END IONS BEGIN IONS SCANS=474 PEPMASS=251.094 CHARGE=-1 COLLISION_ENERGY=0.0 65.2864 2700.0 71.9483 3000.0 79.2977 2400.0 79.9556 39000.0 80.9637 65000.0 120.8302 2300.0 163.7966 2300.0 183.9271 2300.0 194.0545 2600.0 207.1054 26000.0 233.0836 19000.0 251.0586 3100.0 251.0953 280000.0 END IONS BEGIN IONS SCANS=475 PEPMASS=310.9462 CHARGE=-1 COLLISION_ENERGY=0.0 63.559 2200.0 83.9947 18000.0 84.6486 2600.0 85.0026 70000.0 87.9237 3800.0 96.8896 4700.0 101.9264 2900.0 102.9347 4200.0 103.9185 6100.0 104.9263 9000.0 105.934 11000.0 111.9347 5100.0 113.9273 3300.0 114.0277 2500.0 115.9422 41000.0 119.3729 2400.0 123.9446 31000.0 128.9377 13000.0 140.9381 4700.0 144.6157 2500.0 147.9565 2900.0 148.9395 5200.0 152.9372 2800.0 173.9357 8400.0 183.944 11000.0 187.9387 2900.0 191.9461 31000.0 209.9204 2300.0 242.9449 9600.0 243.9546 5400.0 259.9482 27000.0 310.9493 8000.0 311.1684 33000.0 END IONS BEGIN IONS SCANS=476 PEPMASS=103.0118 CHARGE=-1 COLLISION_ENERGY=0.0 59.0066 9400.0 59.0127 1800000.0 67.6576 4400.0 76.0053 29000.0 77.0778 5900.0 103.0022 70000.0 103.0161 55000.0 END IONS BEGIN IONS SCANS=477 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 470000.0 60.5626 24000.0 82.8316 25000.0 85.0028 9200000.0 92.1897 26000.0 END IONS BEGIN IONS SCANS=478 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 56.7525 5900.0 59.0125 21000.0 60.0155 44000.0 69.9244 6300.0 71.1076 7100.0 88.205 6800.0 88.6659 8300.0 96.4862 7700.0 104.0238 27000.0 END IONS BEGIN IONS SCANS=479 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 64.343 36000.0 68.0 53000.0 85.0028 12000000.0 85.0133 61000.0 96.89 52000.0 END IONS BEGIN IONS SCANS=480 PEPMASS=103.0082 CHARGE=-1 COLLISION_ENERGY=0.0 54.6993 9700.0 59.0127 3300000.0 63.0257 7700.0 76.0053 35000.0 77.0783 8800.0 96.8889 15000.0 102.4986 8800.0 103.0022 150000.0 103.0163 53000.0 109.9532 9200.0 END IONS BEGIN IONS SCANS=481 PEPMASS=295.029 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 53000.0 80.5727 2500.0 90.1436 2100.0 96.889 4000.0 103.002 170000.0 108.0549 2200.0 182.4902 2400.0 285.5255 2600.0 END IONS BEGIN IONS SCANS=482 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0068 2200.0 57.0333 22000.0 59.0126 8800.0 67.0172 2900.0 71.0124 16000.0 75.7754 2200.0 79.0814 2300.0 83.0119 6400.0 85.0278 90000.0 87.0071 130000.0 87.924 4600.0 96.886 6800.0 96.8928 3500.0 97.9562 2700.0 99.007 11000.0 101.0229 4100.0 102.9471 36000.0 111.0072 390000.0 112.9863 45000.0 124.3199 2300.0 129.0176 30000.0 146.9372 7700.0 156.9254 2400.0 171.9887 2200.0 173.0078 8000.0 191.0187 45000.0 193.1613 2500.0 END IONS BEGIN IONS SCANS=483 PEPMASS=226.9953 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 18000.0 59.0125 3400.0 60.5219 2400.0 60.6606 2200.0 68.9968 3300.0 71.0122 23000.0 73.0278 5300.0 74.2374 2600.0 83.0121 13000.0 85.0275 18000.0 87.0068 3300.0 96.8904 4000.0 99.0068 100000.0 111.0069 65000.0 112.9862 130000.0 129.0173 28000.0 142.9969 14000.0 173.0073 34000.0 191.0182 3800.0 203.3461 2500.0 219.0447 2400.0 226.9944 11000.0 END IONS BEGIN IONS SCANS=484 PEPMASS=219.0136 CHARGE=-1 COLLISION_ENERGY=0.0 55.1254 2200.0 55.1789 2200.0 57.0332 4600.0 58.4589 1900.0 63.782 1900.0 63.8676 2100.0 71.0123 8200.0 73.0282 2500.0 73.5257 2300.0 78.4054 2400.0 83.0122 3100.0 83.2263 2000.0 85.0283 5500.0 93.947 2600.0 95.0368 2100.0 96.8892 7500.0 99.007 15000.0 111.0071 8400.0 112.9865 10000.0 129.0179 9000.0 142.9969 3900.0 166.9442 2500.0 192.1158 2600.0 210.114 2300.0 END IONS BEGIN IONS SCANS=485 PEPMASS=254.0131 CHARGE=-1 COLLISION_ENERGY=0.0 61.9871 380000.0 74.2726 3300.0 96.8914 2700.0 132.0073 2400.0 142.9972 4000.0 154.4471 2300.0 END IONS BEGIN IONS SCANS=486 PEPMASS=295.0313 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 190000.0 96.8867 3700.0 103.0023 680000.0 111.1106 3100.0 113.6216 2900.0 134.9302 3800.0 140.7179 3200.0 153.414 3100.0 309.9997 3100.0 316.918 3700.0 END 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116.0241 4500.0 117.993 2000.0 118.0017 2000.0 124.9864 29000.0 140.9823 5200.0 142.9972 61000.0 143.0238 5500.0 143.0353 23000.0 156.6069 1900.0 158.9929 3000.0 END IONS BEGIN IONS SCANS=490 PEPMASS=226.9959 CHARGE=-1 COLLISION_ENERGY=0.0 52.2281 2200.0 57.0332 11000.0 57.1163 2200.0 61.0749 2200.0 70.2901 2000.0 71.0124 13000.0 73.0282 3800.0 83.0124 8600.0 85.0278 10000.0 96.8876 5700.0 99.0072 55000.0 101.0229 2500.0 102.4619 2200.0 111.0072 32000.0 112.9865 70000.0 129.0175 16000.0 129.1131 2300.0 142.9974 8700.0 156.4458 2400.0 171.1921 2600.0 173.0071 23000.0 174.7874 2600.0 191.0199 2800.0 226.9971 8600.0 END IONS BEGIN IONS SCANS=491 PEPMASS=111.0067 CHARGE=-1 COLLISION_ENERGY=0.0 51.9079 2000.0 55.0176 21000.0 65.9973 2500.0 83.0122 58000.0 96.8901 3500.0 106.7673 2200.0 111.0076 9500.0 END IONS BEGIN IONS SCANS=492 PEPMASS=173.007 CHARGE=-1 COLLISION_ENERGY=0.0 51.5381 2100.0 53.0016 2800.0 55.0175 11000.0 57.0332 4600.0 59.0123 13000.0 62.0306 2000.0 65.1219 2300.0 67.0173 3900.0 68.9967 3700.0 71.0123 160000.0 71.0174 3400.0 72.9918 4800.0 73.0281 8100.0 76.2808 2300.0 80.9964 2900.0 83.0123 20000.0 84.9914 2900.0 85.0279 8400.0 87.007 4400.0 94.1357 2500.0 96.8892 5400.0 99.007 68000.0 99.3323 2400.0 111.0072 16000.0 112.9863 160000.0 115.0023 7800.0 124.9861 31000.0 129.018 4200.0 140.9824 3100.0 142.997 170000.0 145.0141 4000.0 147.9833 2300.0 172.4359 2500.0 173.0076 24000.0 191.3369 2100.0 END IONS BEGIN IONS SCANS=493 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 470000.0 58.2623 37000.0 85.0028 10000000.0 END IONS BEGIN IONS SCANS=494 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 17000.0 60.0159 33000.0 72.8059 17000.0 80.4738 8600.0 87.538 8400.0 96.8847 18000.0 96.8914 43000.0 98.2234 8000.0 104.0242 25000.0 END IONS BEGIN IONS SCANS=495 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 56.4214 31000.0 57.992 560000.0 65.3026 34000.0 70.3398 32000.0 74.757 33000.0 77.334 29000.0 84.9919 51000.0 85.0027 10000000.0 90.9492 32000.0 94.6705 35000.0 96.8915 47000.0 END IONS BEGIN IONS SCANS=496 PEPMASS=163.0236 CHARGE=-1 COLLISION_ENERGY=0.0 52.1687 2000.0 65.0131 510000.0 69.0965 2100.0 79.3533 2300.0 82.3072 1900.0 91.9267 2100.0 97.7102 2400.0 105.8357 2100.0 118.9914 7000.0 130.7477 2100.0 132.361 2400.0 END IONS BEGIN IONS SCANS=497 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.0127 22000.0 60.0157 41000.0 89.2239 7300.0 96.8892 17000.0 104.0244 7900.0 END IONS BEGIN IONS SCANS=498 PEPMASS=191.0173 CHARGE=-1 COLLISION_ENERGY=0.0 57.0331 12000.0 59.0121 4300.0 71.0122 14000.0 82.5632 2400.0 83.0121 3700.0 85.0278 45000.0 87.007 65000.0 87.9234 2500.0 96.8914 7300.0 97.8178 2300.0 99.0076 8000.0 102.9471 22000.0 111.0069 200000.0 112.9861 35000.0 115.0034 3000.0 115.2717 2600.0 129.0175 13000.0 146.9373 6600.0 167.6307 2600.0 173.0083 3400.0 187.0934 2300.0 191.0185 21000.0 196.4319 2300.0 END IONS BEGIN IONS SCANS=499 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 52.0052 4900.0 55.4061 4900.0 57.6206 5300.0 59.0123 29000.0 60.0157 50000.0 75.5409 5000.0 93.0094 5100.0 104.0058 5400.0 104.024 11000.0 111.4554 5400.0 113.9947 5600.0 END IONS BEGIN IONS SCANS=500 PEPMASS=104.0311 CHARGE=-1 COLLISION_ENERGY=0.0 56.7525 5900.0 59.0125 21000.0 60.0155 44000.0 69.9244 6300.0 71.1076 7100.0 88.205 6800.0 88.6659 8300.0 96.4862 7700.0 104.0238 27000.0 END IONS BEGIN IONS SCANS=501 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 490000.0 73.32 64000.0 85.0028 10000000.0 85.0133 67000.0 96.8869 160000.0 END IONS BEGIN IONS SCANS=502 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 56.0285 29000.0 57.9921 370000.0 61.2255 27000.0 70.2352 33000.0 85.0028 7900000.0 96.8905 38000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 53.8788 4300.0 54.9794 5100.0 57.5569 5000.0 59.0127 2100000.0 66.206 5100.0 76.005 29000.0 77.0781 5300.0 96.8907 7400.0 103.002 89000.0 103.0157 51000.0 109.2734 5300.0 111.2721 5000.0 123.4025 5000.0 END IONS BEGIN IONS SCANS=504 PEPMASS=295.0264 CHARGE=-1 COLLISION_ENERGY=0.0 51.5371 2600.0 59.0122 23000.0 66.1286 2500.0 96.8892 5800.0 103.0021 100000.0 114.525 2500.0 166.3405 2300.0 194.2712 2400.0 230.1046 2800.0 END IONS BEGIN IONS SCANS=505 PEPMASS=85.006 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 360000.0 63.896 24000.0 65.0114 22000.0 68.0003 28000.0 84.2472 22000.0 85.0028 7600000.0 85.0134 41000.0 86.2661 22000.0 96.8893 47000.0 END IONS BEGIN IONS SCANS=506 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 52.1263 32000.0 54.8195 30000.0 57.9921 510000.0 59.1602 31000.0 59.524 31000.0 61.3036 29000.0 61.3567 33000.0 67.0996 30000.0 67.9997 46000.0 74.736 29000.0 85.0029 10000000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=261.0852 CHARGE=-1 COLLISION_ENERGY=0.0 54.0529 2500.0 58.21 2100.0 59.0123 4200.0 61.951 2100.0 64.012 2300.0 70.0283 12000.0 72.0438 5800.0 74.023 93000.0 92.1552 2100.0 96.887 3800.0 98.023 25000.0 106.1342 2400.0 116.0335 76000.0 127.7521 2200.0 128.0338 8000.0 130.9428 2900.0 132.0441 27000.0 139.5784 2400.0 140.9762 2200.0 144.0451 5000.0 174.9323 5800.0 201.0655 19000.0 202.5103 2100.0 249.4771 2300.0 261.087 30000.0 278.811 2400.0 END IONS BEGIN IONS SCANS=508 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.5205 45000.0 52.4778 38000.0 57.9921 660000.0 85.0027 13000000.0 87.0689 35000.0 96.8852 43000.0 96.8904 64000.0 END IONS BEGIN IONS SCANS=509 PEPMASS=191.0175 CHARGE=-1 COLLISION_ENERGY=0.0 50.7614 2000.0 57.0334 8300.0 58.9574 3100.0 59.0245 2300.0 66.1118 2100.0 67.0173 2500.0 80.1341 2400.0 85.0279 73000.0 87.0071 110000.0 96.8895 4300.0 102.9471 37000.0 108.5922 2200.0 111.0072 330000.0 129.0174 16000.0 146.9372 7700.0 154.997 2300.0 170.9838 2400.0 173.0078 6900.0 183.1882 2600.0 191.0191 37000.0 214.1257 2600.0 END IONS BEGIN IONS SCANS=510 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5732 5100.0 55.7863 5000.0 59.0122 7200.0 60.0158 25000.0 60.4808 8300.0 62.7714 5100.0 75.2361 5900.0 78.5929 5100.0 96.8905 7900.0 104.0241 11000.0 104.2333 4400.0 124.1215 4900.0 END IONS BEGIN IONS SCANS=511 PEPMASS=104.0283 CHARGE=-1 COLLISION_ENERGY=0.0 51.422 5400.0 51.5233 5100.0 78.4734 5700.0 96.8895 15000.0 103.9186 180000.0 104.0243 11000.0 113.7608 6400.0 END IONS BEGIN IONS SCANS=512 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 53.1908 5900.0 59.0127 7600.0 59.7108 5800.0 60.0159 26000.0 62.6429 6500.0 66.8821 5900.0 68.2391 6200.0 68.5239 5600.0 74.5747 6100.0 94.8171 8000.0 96.8905 9800.0 104.0238 24000.0 END IONS BEGIN IONS SCANS=513 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 56.9451 41000.0 57.9921 620000.0 62.9439 38000.0 65.5216 37000.0 68.0003 42000.0 71.9501 47000.0 72.9317 38000.0 79.8614 35000.0 85.0028 11000000.0 91.6132 37000.0 96.8906 49000.0 END IONS BEGIN IONS SCANS=514 PEPMASS=103.0142 CHARGE=-1 COLLISION_ENERGY=0.0 57.6414 6200.0 59.0126 2500000.0 59.0204 7400.0 76.0051 33000.0 77.078 8800.0 78.9546 5500.0 85.2186 6500.0 85.39 5600.0 90.3549 5800.0 103.0018 110000.0 103.0163 43000.0 103.0836 5500.0 END 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96.8896 46000.0 END IONS BEGIN IONS SCANS=519 PEPMASS=105.0207 CHARGE=-1 COLLISION_ENERGY=0.0 50.3473 1800.0 51.889 2100.0 53.342 1900.0 61.0165 2500.0 63.5566 2000.0 68.3327 2300.0 72.7755 2000.0 85.9465 1900.0 96.889 3900.0 96.9107 2200.0 110.3862 2500.0 110.3956 1900.0 END IONS BEGIN IONS SCANS=520 PEPMASS=163.0235 CHARGE=-1 COLLISION_ENERGY=0.0 65.0131 500000.0 65.8645 2100.0 73.2232 1900.0 84.6726 2000.0 96.9388 2200.0 98.6568 2400.0 118.9907 6700.0 134.2024 2300.0 162.8378 2900.0 180.5379 2500.0 END IONS BEGIN IONS SCANS=521 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 1100000.0 76.0051 26000.0 88.005 2600.0 88.5445 2300.0 96.8873 2300.0 103.002 38000.0 103.0161 58000.0 103.0284 4200.0 106.9507 2200.0 107.5658 2200.0 110.392 2300.0 END IONS BEGIN IONS SCANS=522 PEPMASS=84.9991 CHARGE=-1 COLLISION_ENERGY=0.0 56.7915 33000.0 57.9918 450000.0 61.5837 28000.0 70.2193 36000.0 85.0027 9400000.0 85.0704 33000.0 87.6107 29000.0 96.89 50000.0 END IONS BEGIN IONS SCANS=523 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3900.0 203.0349 4400.0 204.0455 3300.0 208.038 2800.0 209.0448 36000.0 220.0378 32000.0 221.0444 26000.0 230.0272 3300.0 239.0561 13000.0 243.1028 3200.0 269.081 4200.0 271.0986 3600.0 276.556 3500.0 283.0992 3200.0 297.0777 40000.0 299.094 6300.0 309.0767 6200.0 315.088 220000.0 327.0865 12000.0 345.0989 70000.0 357.1 4700.0 399.1035 3100.0 417.1191 12000.0 435.1296 94000.0 END IONS BEGIN IONS SCANS=526 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 510000.0 64.4785 28000.0 68.0002 33000.0 84.992 77000.0 85.0027 11000000.0 85.0263 30000.0 96.8902 41000.0 END IONS BEGIN IONS SCANS=527 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 17000.0 60.0159 33000.0 72.8059 17000.0 80.4738 8600.0 87.538 8400.0 96.8847 18000.0 96.8914 43000.0 98.2234 8000.0 104.0242 25000.0 END IONS BEGIN IONS SCANS=528 PEPMASS=104.0282 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 11000.0 60.0159 13000.0 62.7346 6800.0 72.7887 14000.0 89.6351 6700.0 96.887 29000.0 96.8929 13000.0 104.0243 14000.0 END IONS 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2000.0 END IONS BEGIN IONS SCANS=531 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.1945 37000.0 54.6609 39000.0 57.9921 650000.0 66.4409 45000.0 69.0305 43000.0 80.6524 41000.0 85.0028 12000000.0 85.0136 73000.0 95.6577 41000.0 96.8893 46000.0 104.7054 40000.0 END IONS BEGIN IONS SCANS=532 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 9000.0 60.0159 23000.0 61.0758 7600.0 61.0882 7300.0 72.7302 9300.0 80.1579 6600.0 96.8877 32000.0 96.8937 17000.0 98.9289 7300.0 104.0245 14000.0 END IONS BEGIN IONS SCANS=533 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.6929 2300.0 59.0126 710000.0 61.1802 2100.0 61.3037 2000.0 76.0049 12000.0 77.7744 2300.0 78.2306 2200.0 78.9569 2100.0 95.7901 2500.0 100.8824 2200.0 103.0021 31000.0 103.0159 37000.0 111.3965 2100.0 114.9023 2100.0 115.6593 2200.0 END IONS BEGIN IONS SCANS=534 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 50.5076 26000.0 50.8039 30000.0 51.5217 28000.0 51.6664 28000.0 57.9921 510000.0 58.5262 29000.0 61.8028 28000.0 63.0772 29000.0 67.9998 29000.0 78.1474 27000.0 85.0028 9700000.0 85.0135 71000.0 96.8873 30000.0 END IONS BEGIN IONS SCANS=535 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 55.0987 5900.0 60.0156 5800.0 63.7251 5200.0 69.6199 5100.0 72.8588 5300.0 76.0529 5200.0 84.0319 4900.0 96.8886 8200.0 104.0243 12000.0 END IONS BEGIN IONS SCANS=536 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 50.1593 34000.0 57.9921 520000.0 59.1056 35000.0 65.107 36000.0 67.9999 54000.0 85.0028 11000000.0 85.0134 69000.0 94.3806 45000.0 96.8869 48000.0 END IONS BEGIN IONS SCANS=537 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 52.1945 37000.0 54.6609 39000.0 57.9921 650000.0 66.4409 45000.0 69.0305 43000.0 80.6524 41000.0 85.0028 12000000.0 85.0136 73000.0 95.6577 41000.0 96.8893 46000.0 104.7054 40000.0 END IONS BEGIN IONS SCANS=538 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 390000.0 85.0028 7400000.0 96.8917 34000.0 97.316 26000.0 101.7527 24000.0 END IONS BEGIN IONS SCANS=539 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64.5427 24000.0 70.163 27000.0 71.4098 28000.0 85.0028 7000000.0 85.0135 51000.0 96.89 67000.0 100.0551 23000.0 END IONS BEGIN IONS SCANS=549 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 51.5191 2100.0 54.8295 2100.0 57.0332 19000.0 66.0776 2200.0 66.325 2100.0 67.0169 2400.0 75.363 2100.0 83.4395 2400.0 85.0279 93000.0 87.0071 130000.0 87.2603 2300.0 87.3246 2400.0 87.9236 3000.0 101.023 2400.0 102.9472 25000.0 111.0073 420000.0 129.0176 22000.0 146.9375 8200.0 147.0267 3100.0 154.3161 2200.0 158.9034 2400.0 160.0223 2100.0 172.3197 2300.0 173.0077 7400.0 191.0189 51000.0 191.0546 2800.0 END IONS BEGIN IONS SCANS=550 PEPMASS=103.0054 CHARGE=-1 COLLISION_ENERGY=0.0 51.537 2100.0 59.0126 820000.0 67.666 2000.0 68.3131 2200.0 76.0051 20000.0 77.078 2500.0 88.0052 2200.0 96.8896 6200.0 103.0021 31000.0 103.0158 44000.0 103.0284 3900.0 116.92 2100.0 END IONS BEGIN IONS SCANS=551 PEPMASS=157.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 790000.0 59.0122 2900.0 67.0174 3600.0 69.033 8100.0 70.6 2100.0 71.0119 2900.0 71.8726 2100.0 85.0279 51000.0 96.888 2700.0 102.0081 13000.0 113.0228 150000.0 118.7066 2900.0 142.3673 3000.0 157.0127 22000.0 157.0507 4200.0 157.1212 2800.0 END IONS BEGIN IONS SCANS=552 PEPMASS=125.0219 CHARGE=-1 COLLISION_ENERGY=0.0 58.5093 1900.0 59.8633 2000.0 62.88 2000.0 65.8304 1900.0 67.018 2500.0 73.4849 1900.0 76.6282 1800.0 81.033 6400.0 87.0488 2100.0 125.0232 6900.0 END IONS BEGIN IONS SCANS=553 PEPMASS=187.0228 CHARGE=-1 COLLISION_ENERGY=0.0 53.2224 2400.0 57.4023 2200.0 67.0174 4200.0 81.0332 10000.0 96.8881 3900.0 99.0433 85000.0 115.0385 4000.0 125.0224 280000.0 126.7435 2100.0 143.033 12000.0 143.0695 2200.0 187.0238 15000.0 END IONS BEGIN IONS SCANS=554 PEPMASS=187.0239 CHARGE=-1 COLLISION_ENERGY=0.0 58.4746 2200.0 67.0173 4000.0 75.2343 2600.0 81.0333 20000.0 99.0436 150000.0 99.0525 2700.0 99.9234 2600.0 115.0383 7500.0 119.0976 3000.0 125.0229 510000.0 125.039 4200.0 125.0415 3900.0 126.9832 2300.0 129.8533 2100.0 143.0336 18000.0 155.0938 2300.0 156.101 2000.0 187.0241 25000.0 193.3911 2400.0 END IONS BEGIN IONS SCANS=555 PEPMASS=223.0626 CHARGE=-1 COLLISION_ENERGY=0.0 51.5383 2900.0 61.2774 2600.0 63.541 2200.0 74.9922 2200.0 79.9557 42000.0 80.9635 83000.0 81.3946 2400.0 93.9749 2200.0 96.8868 3300.0 127.0129 2200.0 179.073 30000.0 189.2091 2300.0 205.0526 26000.0 223.0638 330000.0 END IONS BEGIN IONS SCANS=556 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 56.6902 30000.0 57.9921 500000.0 57.9956 56000.0 62.609 40000.0 64.0728 30000.0 66.0882 35000.0 68.0001 47000.0 85.0028 11000000.0 85.0133 59000.0 93.6459 41000.0 96.8869 38000.0 END IONS BEGIN IONS SCANS=557 PEPMASS=223.064 CHARGE=-1 COLLISION_ENERGY=0.0 61.9736 2000.0 79.9558 53000.0 80.9636 94000.0 101.2066 2500.0 105.3666 2700.0 107.1637 2500.0 125.0631 2300.0 140.9447 2100.0 160.681 2300.0 179.0731 28000.0 184.9078 2300.0 205.0533 35000.0 223.0639 410000.0 END IONS BEGIN IONS SCANS=558 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 57.2792 6400.0 59.0126 6700.0 60.0157 10000.0 63.7381 6100.0 65.2429 6400.0 65.9547 5900.0 66.6063 6600.0 66.6273 5400.0 71.9506 6200.0 72.1067 5800.0 96.8907 15000.0 97.5904 6500.0 104.0237 16000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=86.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 8500.0 58.989 2100.0 58.9955 6300.0 86.0 70000.0 86.0062 210000.0 96.8894 3600.0 END IONS BEGIN IONS SCANS=560 PEPMASS=103.0136 CHARGE=-1 COLLISION_ENERGY=0.0 59.0083 3000.0 59.0089 3800.0 59.0125 210000.0 76.0049 24000.0 88.0048 2100.0 96.8923 2500.0 103.016 59000.0 103.0291 2300.0 114.1392 2200.0 123.4995 2500.0 END IONS BEGIN IONS SCANS=561 PEPMASS=85.0122 CHARGE=-1 COLLISION_ENERGY=0.0 51.9842 29000.0 57.9921 360000.0 65.7635 29000.0 85.0028 7600000.0 88.1544 34000.0 96.8909 47000.0 END IONS BEGIN IONS SCANS=562 PEPMASS=163.0237 CHARGE=-1 COLLISION_ENERGY=0.0 61.987 6800.0 65.0131 350000.0 90.8944 2600.0 96.8891 2700.0 109.4684 2200.0 118.9914 3300.0 124.4119 2100.0 135.7655 2100.0 162.8377 34000.0 END IONS BEGIN IONS 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147.8381 2200.0 150.9204 2400.0 151.9008 5500.0 152.8873 5000.0 152.899 67000.0 152.9117 3300.0 162.0445 2300.0 178.9111 2700.0 180.9751 8900.0 193.4232 2800.0 196.9865 2500.0 197.8911 120000.0 198.889 190000.0 199.8355 2500.0 200.8437 6600.0 204.9744 5400.0 224.9801 4400.0 243.8561 5000.0 243.8814 120000.0 243.9007 1600.0 244.8793 5000.0 END IONS BEGIN IONS SCANS=567 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 52.3425 34000.0 57.992 500000.0 76.6285 38000.0 81.1595 33000.0 81.1982 37000.0 85.0028 11000000.0 88.896 41000.0 END IONS BEGIN IONS SCANS=568 PEPMASS=146.954 CHARGE=-1 COLLISION_ENERGY=0.0 58.9531 14000.0 60.0578 2100.0 61.9823 460000.0 68.9892 3800.0 77.9454 2200.0 87.9174 25000.0 89.9177 6000.0 90.2726 2100.0 90.9157 10000.0 90.9255 13000.0 91.9231 17000.0 93.9388 3500.0 96.8954 3200.0 99.9169 5100.0 100.9248 4300.0 102.9238 11000.0 102.9398 45000.0 103.9282 2700.0 115.911 5200.0 117.9089 13000.0 118.9145 7400.0 120.5985 2200.0 146.8869 3000.0 146.9546 6000.0 146.9762 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6400.0 END IONS BEGIN IONS SCANS=573 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 57.5234 34000.0 57.9921 590000.0 67.9998 34000.0 70.6871 33000.0 83.7366 36000.0 84.9924 54000.0 84.9938 49000.0 85.0028 10000000.0 95.1718 35000.0 96.8896 66000.0 END IONS BEGIN IONS SCANS=574 PEPMASS=179.055 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 17000.0 59.0125 100000.0 60.4581 2700.0 71.0122 17000.0 73.028 3800.0 81.0335 2600.0 83.0123 74000.0 85.0277 3200.0 87.0435 4400.0 89.0229 12000.0 96.8884 2600.0 99.0067 5500.0 101.0229 220000.0 101.0319 2400.0 107.6546 2000.0 117.0542 4300.0 161.0441 4700.0 179.0547 43000.0 END IONS BEGIN IONS SCANS=575 PEPMASS=179.0537 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 21000.0 59.0124 150000.0 63.9913 2200.0 65.4573 2600.0 71.0123 20000.0 73.0283 5500.0 81.0331 5100.0 83.0122 100000.0 85.0275 4200.0 87.0436 6300.0 89.0227 15000.0 96.8855 2500.0 96.8919 2800.0 99.0076 3800.0 101.0229 280000.0 107.4791 2500.0 117.0546 7600.0 121.6104 2300.0 131.035 2000.0 135.0656 2500.0 154.4095 2200.0 161.0441 4900.0 162.036 2400.0 179.0545 57000.0 191.1746 2200.0 195.7387 2500.0 END IONS BEGIN IONS SCANS=576 PEPMASS=191.0173 CHARGE=-1 COLLISION_ENERGY=0.0 51.5122 2500.0 56.0965 2300.0 57.0333 8600.0 61.3607 2100.0 71.0122 2200.0 72.9914 2400.0 78.1591 1900.0 82.6724 2100.0 85.0278 46000.0 85.4234 2200.0 87.0071 69000.0 89.0227 5200.0 93.3119 2300.0 101.0228 19000.0 102.9472 31000.0 111.0071 210000.0 114.7728 2300.0 129.0174 11000.0 129.0543 13000.0 137.1846 2000.0 145.6318 2300.0 146.9373 8000.0 154.9975 3800.0 173.0088 7800.0 173.045 3200.0 183.8892 2200.0 191.0188 24000.0 191.0544 12000.0 194.7641 2700.0 210.5111 2800.0 END IONS BEGIN IONS SCANS=577 PEPMASS=85.0001 CHARGE=-1 COLLISION_ENERGY=0.0 51.5218 29000.0 57.992 380000.0 67.559 27000.0 68.0 30000.0 82.1482 25000.0 84.9921 35000.0 85.0027 8400000.0 96.8885 68000.0 END IONS BEGIN IONS SCANS=578 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 560000.0 62.4555 33000.0 67.9999 68000.0 75.8768 34000.0 85.0028 10000000.0 87.0698 30000.0 96.8888 52000.0 END IONS BEGIN IONS SCANS=579 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 74.3424 4300.0 77.5504 5400.0 78.1173 5200.0 96.8916 14000.0 102.0588 4900.0 103.9187 140000.0 104.0238 16000.0 END IONS BEGIN IONS SCANS=580 PEPMASS=84.9972 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 500000.0 58.0377 26000.0 68.0002 36000.0 84.9265 25000.0 84.992 62000.0 85.0028 9100000.0 96.889 40000.0 END IONS BEGIN IONS SCANS=581 PEPMASS=104.0204 CHARGE=-1 COLLISION_ENERGY=0.0 50.9293 5500.0 60.0157 5900.0 82.7254 5500.0 91.1122 5200.0 92.9011 7000.0 96.7382 6100.0 96.8884 8100.0 104.024 13000.0 END IONS BEGIN IONS SCANS=582 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 71.8559 5000.0 78.9953 5500.0 96.8879 11000.0 100.9367 4700.0 103.9186 97000.0 104.0246 11000.0 111.6392 5400.0 116.9024 5000.0 END IONS BEGIN IONS SCANS=583 PEPMASS=163.0234 CHARGE=-1 COLLISION_ENERGY=0.0 58.146 2200.0 58.4742 2400.0 60.4644 2300.0 65.0131 340000.0 71.8601 2400.0 78.9723 2100.0 85.5866 2000.0 118.9918 6500.0 119.0487 2500.0 127.362 2500.0 134.4576 2100.0 135.6425 2100.0 153.2836 2000.0 162.8388 4000.0 181.0649 2100.0 END IONS BEGIN IONS SCANS=584 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 560000.0 63.1152 34000.0 68.0002 33000.0 70.7468 28000.0 80.4378 28000.0 84.9923 58000.0 85.0028 9900000.0 88.8288 30000.0 96.0404 29000.0 96.8898 36000.0 END IONS BEGIN IONS SCANS=585 PEPMASS=223.0638 CHARGE=-1 COLLISION_ENERGY=0.0 59.1026 2200.0 59.838 2100.0 62.1368 2300.0 79.9558 63000.0 80.9637 61000.0 92.2392 2200.0 96.8882 2500.0 105.293 2200.0 109.5666 2300.0 141.447 2400.0 149.6655 2300.0 179.0738 9400.0 205.0535 9200.0 223.0639 350000.0 240.5475 2200.0 END IONS BEGIN IONS SCANS=586 PEPMASS=223.0625 CHARGE=-1 COLLISION_ENERGY=0.0 55.1691 2100.0 79.9558 52000.0 80.9636 50000.0 83.8109 2400.0 87.5011 2400.0 96.8887 3100.0 131.5114 2100.0 169.627 2100.0 179.0727 5000.0 205.0531 8600.0 211.6499 2400.0 223.0637 330000.0 END IONS BEGIN IONS SCANS=587 PEPMASS=191.0175 CHARGE=-1 COLLISION_ENERGY=0.0 52.1484 2100.0 55.135 2400.0 56.8673 2400.0 57.0333 13000.0 57.6268 2500.0 85.0278 80000.0 85.2902 2300.0 87.0069 120000.0 89.0234 2500.0 90.1414 2400.0 96.8878 4500.0 101.0227 13000.0 102.947 37000.0 111.007 360000.0 117.0186 2200.0 123.9946 2200.0 129.0174 19000.0 129.0536 7000.0 146.9367 13000.0 154.9969 5600.0 173.0083 7300.0 173.0451 2500.0 184.8145 2300.0 191.018 39000.0 191.0548 7200.0 END IONS BEGIN IONS SCANS=588 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 68.0002 56000.0 85.0029 9500000.0 96.8896 52000.0 END IONS BEGIN IONS SCANS=589 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 50.8165 29000.0 57.5834 31000.0 57.9919 430000.0 67.1069 30000.0 67.48 29000.0 68.0001 30000.0 68.3034 26000.0 83.7544 27000.0 84.8873 29000.0 84.992 92000.0 85.0028 11000000.0 85.0165 42000.0 96.8903 39000.0 END IONS BEGIN IONS SCANS=590 PEPMASS=85.0083 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 560000.0 62.4555 33000.0 67.9999 68000.0 75.8768 34000.0 85.0028 10000000.0 87.0698 30000.0 96.8888 52000.0 END IONS BEGIN IONS SCANS=591 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 71.8559 5000.0 78.9953 5500.0 96.8879 11000.0 100.9367 4700.0 103.9186 97000.0 104.0246 11000.0 111.6392 5400.0 116.9024 5000.0 END IONS BEGIN IONS SCANS=592 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 41000.0 57.9921 600000.0 59.7463 33000.0 64.9997 31000.0 68.0003 58000.0 84.5301 32000.0 84.9921 97000.0 85.0028 13000000.0 END IONS BEGIN IONS SCANS=593 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 55.6082 6400.0 65.2269 8300.0 67.1394 8200.0 68.4487 7000.0 73.2494 7100.0 80.043 7000.0 96.8867 18000.0 96.8924 11000.0 99.2762 8100.0 104.024 17000.0 115.0822 6500.0 END IONS BEGIN IONS SCANS=594 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 41000.0 57.9921 600000.0 59.7463 33000.0 64.9997 31000.0 68.0003 58000.0 84.5301 32000.0 84.9921 97000.0 85.0028 13000000.0 END IONS BEGIN IONS SCANS=595 PEPMASS=103.0132 CHARGE=-1 COLLISION_ENERGY=0.0 51.5314 4500.0 59.0065 11000.0 59.0127 1600000.0 76.0052 26000.0 77.0779 4700.0 84.4787 4100.0 96.8896 11000.0 103.0022 69000.0 103.016 55000.0 116.9317 4000.0 END IONS BEGIN IONS SCANS=596 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 53.6385 34000.0 57.9921 410000.0 65.04 31000.0 69.9226 33000.0 83.8985 31000.0 85.0027 8000000.0 94.8581 34000.0 96.8889 46000.0 END IONS BEGIN IONS SCANS=597 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 56.8061 32000.0 57.992 560000.0 68.0 56000.0 72.5557 31000.0 77.0855 37000.0 79.4386 29000.0 85.0028 10000000.0 94.66 28000.0 94.668 32000.0 96.888 39000.0 101.5112 31000.0 END IONS BEGIN IONS SCANS=598 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.0975 6000.0 51.5129 6200.0 56.0125 6700.0 59.9761 8000.0 60.0156 5600.0 60.5635 5500.0 70.247 5800.0 78.3194 6700.0 78.6582 7000.0 96.8885 12000.0 104.0244 21000.0 END IONS BEGIN IONS SCANS=599 PEPMASS=103.002 CHARGE=-1 COLLISION_ENERGY=0.0 52.0927 2100.0 56.1492 1900.0 57.353 2000.0 58.3565 2100.0 58.7379 1900.0 59.0126 310000.0 69.7821 1900.0 73.6801 1900.0 76.0049 13000.0 80.2439 2100.0 86.2153 2100.0 96.8867 3100.0 96.8921 2200.0 99.9082 2100.0 103.0022 8200.0 103.0159 30000.0 103.0285 2200.0 END IONS BEGIN IONS SCANS=600 PEPMASS=169.9793 CHARGE=-1 COLLISION_ENERGY=0.0 56.9663 2000.0 58.3425 2000.0 60.4664 2400.0 61.9868 16000.0 65.5355 2300.0 73.5419 3500.0 85.0026 500000.0 87.072 2300.0 96.8891 9300.0 143.0359 2500.0 151.2984 2400.0 167.6255 2000.0 169.8663 5400.0 177.7048 2100.0 END IONS BEGIN IONS SCANS=601 PEPMASS=133.0119 CHARGE=-1 COLLISION_ENERGY=0.0 55.8678 2000.0 61.6588 1900.0 68.0914 1900.0 71.0125 59000.0 72.9917 12000.0 75.0072 2100.0 75.8331 1900.0 89.023 8500.0 92.4768 2000.0 96.8896 8200.0 109.8146 2100.0 115.0021 100000.0 132.8664 120000.0 133.013 29000.0 133.0389 2300.0 END IONS BEGIN IONS SCANS=602 PEPMASS=313.1132 CHARGE=-1 COLLISION_ENERGY=0.0 58.2 2300.0 59.0126 4500.0 71.0127 9500.0 73.0275 2400.0 89.0229 2700.0 101.0229 12000.0 105.0547 3200.0 113.0229 3700.0 136.4093 2500.0 139.4151 2400.0 156.5683 3100.0 157.2073 2300.0 161.0452 11000.0 200.8181 2300.0 206.4032 2600.0 236.0952 2300.0 267.108 55000.0 281.3985 2200.0 313.1159 4600.0 END IONS BEGIN IONS SCANS=603 PEPMASS=283.0768 CHARGE=-1 COLLISION_ENERGY=0.0 53.8286 2200.0 61.987 210000.0 72.2789 2300.0 96.8914 3500.0 100.0958 2200.0 105.9498 2300.0 169.0359 2200.0 268.4314 2600.0 278.3577 2500.0 END IONS BEGIN IONS SCANS=604 PEPMASS=104.0324 CHARGE=-1 COLLISION_ENERGY=0.0 77.0082 7500.0 96.8855 5900.0 104.0241 12000.0 END IONS BEGIN IONS SCANS=605 PEPMASS=84.9985 CHARGE=-1 COLLISION_ENERGY=0.0 51.4452 28000.0 57.9922 490000.0 67.6841 31000.0 84.3484 28000.0 85.0029 9500000.0 85.0136 71000.0 96.8861 69000.0 96.8917 72000.0 END IONS BEGIN IONS SCANS=606 PEPMASS=330.1039 CHARGE=-1 COLLISION_ENERGY=0.0 56.5628 2700.0 61.9871 370000.0 87.302 2300.0 126.7654 2800.0 158.9523 2400.0 257.3419 2900.0 260.3864 2400.0 END IONS BEGIN IONS SCANS=607 PEPMASS=330.1023 CHARGE=-1 COLLISION_ENERGY=0.0 59.8315 2800.0 61.9869 210000.0 61.9914 4700.0 62.7254 2900.0 67.2787 2300.0 77.9243 2100.0 100.7383 2300.0 101.8119 2600.0 104.3274 2400.0 114.0094 2400.0 165.5335 2600.0 268.5295 2700.0 270.4217 2300.0 275.2952 2400.0 316.5934 2400.0 END IONS BEGIN IONS SCANS=608 PEPMASS=209.0478 CHARGE=-1 COLLISION_ENERGY=0.0 52.4049 2400.0 60.2632 2400.0 63.4213 2300.0 70.2012 2100.0 71.8536 2000.0 79.9558 54000.0 80.9637 110000.0 85.0283 4900.0 89.8773 2200.0 92.6252 2600.0 92.9943 2500.0 123.4338 2300.0 165.0578 41000.0 191.0376 30000.0 209.0483 360000.0 END IONS BEGIN IONS SCANS=609 PEPMASS=191.0192 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 46000.0 59.0127 4100.0 67.0174 11000.0 71.0128 3000.0 77.0993 2700.0 85.0279 290000.0 87.0072 450000.0 89.0229 4200.0 96.8863 5000.0 96.8922 6500.0 100.1988 2600.0 101.0229 19000.0 102.2567 2600.0 102.9471 7000.0 103.0384 3200.0 111.0073 1300000.0 111.0199 7100.0 111.0229 6700.0 115.9192 3700.0 129.0177 61000.0 129.0537 14000.0 130.997 5100.0 147.0293 6100.0 154.9973 11000.0 173.0077 22000.0 189.9516 2900.0 191.0187 150000.0 191.0538 16000.0 END IONS BEGIN IONS SCANS=610 PEPMASS=191.0182 CHARGE=-1 COLLISION_ENERGY=0.0 51.7067 2600.0 57.0332 33000.0 59.0123 2800.0 59.3723 2400.0 67.0173 6700.0 85.0279 210000.0 87.0072 330000.0 88.0056 2200.0 89.023 4200.0 96.886 3500.0 96.8921 3600.0 101.0229 20000.0 102.947 6300.0 111.0073 960000.0 115.9192 2700.0 117.0182 3000.0 118.1389 2800.0 129.0178 48000.0 129.0536 15000.0 130.9975 2900.0 147.0285 7200.0 154.9964 5700.0 161.8613 2500.0 173.0074 16000.0 191.0189 100000.0 191.0548 18000.0 END IONS BEGIN IONS SCANS=611 PEPMASS=239.0754 CHARGE=-1 COLLISION_ENERGY=0.0 53.0968 2400.0 60.5988 2300.0 62.3196 2100.0 65.6717 2200.0 68.9839 2500.0 71.9769 2200.0 73.8882 2400.0 96.8903 4400.0 127.8058 2300.0 185.5511 2200.0 193.0717 6900.0 END IONS BEGIN IONS SCANS=612 PEPMASS=205.0339 CHARGE=-1 COLLISION_ENERGY=0.0 50.1554 2100.0 58.4488 2100.0 61.9871 7600.0 68.5892 2100.0 81.034 2100.0 85.0282 2100.0 94.855 2400.0 96.8877 3500.0 97.4188 2300.0 99.0435 31000.0 99.9242 6200.0 101.0227 22000.0 111.0071 3100.0 115.0388 14000.0 120.9898 2600.0 123.4608 2300.0 125.0226 94000.0 143.0332 15000.0 145.0127 53000.0 145.0753 2300.0 148.9396 4200.0 160.928 2700.0 181.002 2600.0 185.227 2300.0 187.0235 35000.0 189.1957 2500.0 193.0861 2200.0 205.0344 44000.0 END IONS BEGIN IONS SCANS=613 PEPMASS=239.0765 CHARGE=-1 COLLISION_ENERGY=0.0 51.509 3100.0 77.2369 2100.0 87.05 2700.0 96.885 3000.0 96.8908 7200.0 101.9234 8800.0 103.0382 3600.0 132.4861 2400.0 147.9169 6900.0 151.0863 4300.0 161.0439 2700.0 189.537 2300.0 191.4595 2600.0 193.0706 4200.0 193.9105 4400.0 195.0768 5000.0 211.9204 4900.0 239.069 2500.0 END IONS BEGIN IONS SCANS=614 PEPMASS=241.8994 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 420000.0 62.3673 25000.0 103.9186 6900000.0 149.9115 4100000.0 149.9372 34000.0 167.9224 130000.0 195.879 37000.0 195.8824 43000.0 195.905 3800000.0 205.0755 30000.0 210.8873 32000.0 213.8858 38000.0 213.8913 57000.0 213.9158 2800000.0 241.8982 180000.0 260.7255 32000.0 END IONS BEGIN IONS SCANS=615 PEPMASS=103.9185 CHARGE=-1 COLLISION_ENERGY=0.0 51.3306 3500.0 51.5055 4700.0 53.0151 3400.0 96.8908 9700.0 103.9186 290000.0 104.0233 12000.0 104.3087 3600.0 106.5165 3300.0 112.7884 3800.0 112.8617 4000.0 113.2884 3700.0 END IONS BEGIN IONS SCANS=616 PEPMASS=195.9052 CHARGE=-1 COLLISION_ENERGY=0.0 61.9824 4300.0 61.9831 7500.0 61.987 380000.0 87.924 8500.0 96.889 12000.0 103.8839 8800.0 103.9043 59000.0 103.9077 29000.0 103.9189 7800000.0 103.9303 56000.0 103.9332 56000.0 103.9377 24000.0 103.9413 8900.0 103.9497 7800.0 103.9574 6000.0 107.4683 4600.0 119.0592 4000.0 149.9117 1100000.0 167.9223 94000.0 195.905 37000.0 213.9156 63000.0 END IONS BEGIN IONS SCANS=617 PEPMASS=242.8975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5037 2300.0 55.191 2400.0 60.9636 2500.0 61.9868 31000.0 62.9842 3200.0 91.9886 2400.0 96.8871 4100.0 96.8923 2700.0 103.9186 130000.0 104.919 240000.0 115.4626 2200.0 122.892 2800.0 127.2998 3300.0 130.8997 2500.0 146.9944 2200.0 149.9115 57000.0 150.896 3800.0 150.9119 160000.0 167.9226 3200.0 168.9222 15000.0 170.8724 2500.0 186.3801 2400.0 195.9052 23000.0 196.905 140000.0 213.9156 34000.0 214.9156 250000.0 214.9461 2800.0 242.9013 9700.0 259.8982 2400.0 END IONS BEGIN IONS SCANS=618 PEPMASS=239.9032 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 50000.0 69.9788 2600.0 82.0572 2300.0 96.8894 9400.0 101.9234 760000.0 108.7338 2600.0 147.9163 480000.0 165.9268 32000.0 193.8849 3600.0 193.9098 320000.0 211.9205 560000.0 239.9026 16000.0 END IONS BEGIN IONS SCANS=619 PEPMASS=245.8929 CHARGE=-1 COLLISION_ENERGY=0.0 50.1823 2400.0 51.5247 2400.0 52.5893 2500.0 53.6302 2400.0 57.4778 2600.0 58.8602 2200.0 59.0992 2600.0 61.9806 9200.0 61.9871 1400000.0 63.9911 16000.0 69.4664 2600.0 80.963 4800.0 96.8906 3300.0 121.9175 8500.0 153.9073 20000.0 153.9329 6400.0 194.1665 2400.0 197.9033 3700.0 199.9009 420000.0 245.8941 390000.0 END IONS BEGIN IONS 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220000.0 167.9225 13000.0 195.9051 160000.0 213.8858 3200.0 213.8913 4300.0 213.9159 240000.0 222.7294 2800.0 241.8991 9000.0 END IONS BEGIN IONS SCANS=623 PEPMASS=242.0498 CHARGE=-1 COLLISION_ENERGY=0.0 50.5924 2400.0 54.6965 2300.0 60.9057 2200.0 61.987 160000.0 62.0769 2300.0 96.8914 3200.0 103.9186 360000.0 113.7167 2100.0 128.1373 2700.0 149.9115 200000.0 155.2538 2700.0 167.9218 21000.0 181.1834 2600.0 195.9051 120000.0 213.9157 260000.0 213.9413 3800.0 213.9455 3100.0 216.3368 2300.0 217.3939 2300.0 241.8997 5700.0 252.1152 2700.0 END IONS BEGIN IONS SCANS=624 PEPMASS=146.964 CHARGE=-1 COLLISION_ENERGY=0.0 51.5139 2700.0 61.9871 430000.0 64.9062 2000.0 96.8895 4000.0 116.9922 2200.0 141.0119 2400.0 146.964 2000.0 156.3178 2000.0 END IONS BEGIN IONS SCANS=625 PEPMASS=85.9992 CHARGE=-1 COLLISION_ENERGY=0.0 57.9923 4000.0 58.9953 4500.0 65.3602 2000.0 76.973 1700.0 79.8469 2000.0 86.0 46000.0 86.0063 140000.0 86.0127 3400.0 96.8871 2900.0 100.8196 2100.0 END IONS BEGIN IONS 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2300.0 59.9487 2000.0 61.9869 18000.0 66.4048 2300.0 68.9998 1900.0 73.3607 2300.0 76.472 2400.0 80.4603 2200.0 83.995 3900.0 85.0027 41000.0 87.9243 4100.0 91.0028 2500.0 96.8858 3400.0 96.8912 5700.0 103.9185 42000.0 104.9263 76000.0 105.9341 4100.0 111.5383 2400.0 115.9425 12000.0 117.9217 5500.0 123.9449 8600.0 128.9284 2200.0 128.9379 11000.0 129.9213 3700.0 140.536 2300.0 144.9342 2300.0 148.9403 20000.0 150.9205 10000.0 152.9353 7900.0 160.9275 17000.0 167.0694 2700.0 168.9301 140000.0 191.9464 6800.0 218.9223 7700.0 219.9287 6900.0 220.9373 7000.0 236.9321 38000.0 259.9482 4100.0 287.9319 5200.0 END IONS BEGIN IONS SCANS=629 PEPMASS=248.8918 CHARGE=-1 COLLISION_ENERGY=0.0 59.7077 2100.0 60.3214 2200.0 61.8845 2100.0 61.9871 260000.0 84.937 6200.0 96.8884 3000.0 99.9241 35000.0 100.9324 5800.0 101.9396 2200.0 114.8008 2100.0 114.9479 7900.0 115.9192 20000.0 116.9273 9500.0 124.3886 2200.0 124.8504 2300.0 135.7812 2200.0 140.9113 5500.0 143.2656 2300.0 158.9374 22000.0 168.9954 3600.0 170.7013 2500.0 186.9048 56000.0 202.9285 5300.0 204.9326 7200.0 208.0439 2200.0 217.6099 2100.0 248.8946 8500.0 END IONS BEGIN IONS SCANS=630 PEPMASS=109.9975 CHARGE=-1 COLLISION_ENERGY=0.0 58.5504 2100.0 64.0053 50000.0 79.9999 4200.0 95.4482 2300.0 96.8854 2500.0 96.8907 3800.0 98.3944 1900.0 104.3763 2600.0 109.9978 70000.0 110.0343 5500.0 115.0764 2000.0 117.952 1900.0 END IONS BEGIN IONS SCANS=631 PEPMASS=187.8584 CHARGE=-1 COLLISION_ENERGY=0.0 207.1477 2300.0 311.4578 3300.0 391.5608 2300.0 397.5794 2500.0 414.4096 2500.0 647.8411 2700.0 958.1759 2400.0 1470.707 2800.0 1621.4818 3100.0 1806.6565 2800.0 2290.656 3500.0 END IONS BEGIN IONS SCANS=632 PEPMASS=214.8793 CHARGE=-1 COLLISION_ENERGY=0.0 60.044 2200.0 61.6784 2100.0 61.9868 37000.0 64.0091 2100.0 65.9135 2100.0 73.5103 2900.0 89.2701 2100.0 96.8848 2200.0 96.8904 8400.0 97.8111 2500.0 98.8578 2200.0 99.8303 2300.0 122.8926 360000.0 168.8854 89000.0 186.8967 400000.0 214.8783 13000.0 215.0113 3100.0 END IONS BEGIN 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IONS BEGIN IONS SCANS=638 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 520000.0 63.7883 29000.0 68.0003 29000.0 70.0482 28000.0 84.9921 77000.0 85.0028 10000000.0 88.682 29000.0 96.8858 36000.0 96.8912 36000.0 END IONS BEGIN IONS SCANS=639 PEPMASS=310.9455 CHARGE=-1 COLLISION_ENERGY=0.0 57.3599 2200.0 58.3628 2300.0 58.6549 2400.0 76.9091 2400.0 83.9946 14000.0 85.0026 45000.0 86.4475 2300.0 94.2175 2400.0 102.9348 3600.0 103.9186 5400.0 104.9263 3400.0 105.9344 7500.0 111.9347 3900.0 115.9425 22000.0 123.9446 17000.0 128.9377 5100.0 153.1685 2900.0 173.9364 3700.0 183.9447 5000.0 191.9467 13000.0 242.9459 2800.0 243.9523 2700.0 259.9485 14000.0 288.1746 2800.0 310.9475 3200.0 311.1691 25000.0 END IONS BEGIN IONS SCANS=640 PEPMASS=157.0349 CHARGE=-1 COLLISION_ENERGY=0.0 57.033 3200.0 59.0234 11000.0 68.8404 2100.0 70.0264 2500.0 71.0235 43000.0 72.0073 4700.0 74.8005 2300.0 97.0027 470000.0 102.0076 11000.0 114.0293 400000.0 140.0085 20000.0 157.0357 32000.0 157.0505 6800.0 157.1219 5000.0 176.6004 2300.0 END IONS BEGIN IONS SCANS=641 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 52.6838 39000.0 57.992 700000.0 60.4658 43000.0 61.1478 31000.0 78.1566 36000.0 84.9891 55000.0 85.0028 13000000.0 85.0135 83000.0 86.6377 38000.0 96.8887 46000.0 101.499 36000.0 END IONS BEGIN IONS SCANS=642 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 53.9997 3800.0 62.6204 3900.0 65.1892 4000.0 67.2778 4100.0 67.7559 3900.0 68.597 4500.0 72.6378 5800.0 83.9702 4000.0 96.8881 18000.0 96.8938 8300.0 104.0239 13000.0 END IONS BEGIN IONS SCANS=643 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.513 5800.0 56.0226 6100.0 96.8885 19000.0 103.9187 180000.0 104.0249 9300.0 END IONS BEGIN IONS SCANS=644 PEPMASS=242.0499 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 130000.0 61.991 4600.0 62.9986 2100.0 64.4107 2200.0 68.7432 2800.0 103.7155 2100.0 103.9188 3000.0 125.2178 2200.0 149.9122 3400.0 151.501 2500.0 244.0687 2600.0 END IONS BEGIN IONS SCANS=645 PEPMASS=449.1068 CHARGE=-1 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31000.0 96.8906 57000.0 103.2383 30000.0 END IONS BEGIN IONS SCANS=655 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 52.9736 37000.0 53.0821 30000.0 57.992 460000.0 60.1516 33000.0 68.0002 42000.0 82.9631 36000.0 85.0028 8900000.0 103.8788 33000.0 END IONS BEGIN IONS SCANS=656 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 51.7355 31000.0 52.8861 37000.0 57.992 570000.0 59.5799 33000.0 59.9008 33000.0 68.0006 43000.0 76.7187 34000.0 76.824 31000.0 85.0028 12000000.0 END IONS BEGIN IONS SCANS=657 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 51.7997 42000.0 52.8446 32000.0 57.992 550000.0 59.3397 32000.0 63.348 31000.0 85.0028 9700000.0 96.8888 67000.0 99.0167 37000.0 END IONS BEGIN IONS SCANS=658 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 460000.0 64.0781 34000.0 68.0003 38000.0 69.9649 33000.0 74.0358 31000.0 85.0027 9600000.0 96.3997 34000.0 96.8893 76000.0 END IONS BEGIN IONS SCANS=659 PEPMASS=191.0179 CHARGE=-1 COLLISION_ENERGY=0.0 51.5266 3200.0 51.9416 2300.0 57.0332 12000.0 59.0128 3100.0 62.4089 2300.0 85.0279 91000.0 86.1995 2000.0 87.0072 120000.0 89.023 7300.0 92.3015 2000.0 96.8856 2200.0 96.8916 3300.0 101.023 17000.0 102.9473 25000.0 103.0388 2200.0 111.0072 380000.0 111.5016 2400.0 129.0177 20000.0 129.054 15000.0 142.2965 2200.0 142.991 2200.0 146.5084 2400.0 146.9366 4200.0 147.029 3900.0 153.5897 2100.0 154.9965 3400.0 164.4018 2300.0 173.0079 7300.0 173.0449 2400.0 191.019 43000.0 191.0543 14000.0 END IONS BEGIN IONS SCANS=660 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 630000.0 59.1034 34000.0 63.0373 36000.0 67.8803 33000.0 67.9997 43000.0 70.1284 41000.0 74.061 36000.0 83.7601 35000.0 85.0028 12000000.0 85.0135 67000.0 96.8899 59000.0 END IONS BEGIN IONS SCANS=661 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 58.7543 5800.0 72.5986 7900.0 72.6022 9500.0 73.8314 5000.0 79.6311 5300.0 92.9427 6000.0 96.8836 10000.0 96.8893 29000.0 96.8949 9700.0 100.2813 5500.0 104.0245 13000.0 119.3032 5100.0 END IONS BEGIN IONS 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12000.0 99.007 19000.0 100.3416 2100.0 101.0228 55000.0 111.0067 5500.0 113.0227 12000.0 115.0383 3500.0 117.0175 2800.0 124.0147 2500.0 125.0224 8400.0 141.018 34000.0 142.0253 3800.0 155.034 7800.0 157.0498 2600.0 159.0285 5800.0 161.044 120000.0 175.0591 8400.0 191.0564 4500.0 193.0706 150000.0 198.6979 3000.0 END IONS BEGIN IONS SCANS=671 PEPMASS=239.0765 CHARGE=-1 COLLISION_ENERGY=0.0 50.5003 2100.0 50.6651 2500.0 60.772 2400.0 61.1184 2100.0 77.528 2100.0 81.7944 2600.0 84.1724 2100.0 87.0073 2400.0 95.4087 2200.0 96.8852 2200.0 96.8912 2900.0 101.0228 3200.0 109.8989 2200.0 130.9534 2200.0 142.4738 2200.0 161.0445 8700.0 193.071 44000.0 202.1254 2200.0 208.3633 2200.0 230.9122 2400.0 END IONS BEGIN IONS SCANS=672 PEPMASS=239.0749 CHARGE=-1 COLLISION_ENERGY=0.0 50.064 2600.0 51.1437 2400.0 54.1646 2300.0 56.033 2200.0 63.0327 2100.0 73.5512 2500.0 77.3751 2300.0 91.9939 2400.0 96.8912 2800.0 101.0233 2700.0 110.9046 2800.0 111.9588 2300.0 134.0165 2600.0 161.0444 5600.0 179.6368 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74.4074 5200.0 84.2584 5700.0 96.8879 10000.0 104.0241 17000.0 END IONS BEGIN IONS SCANS=678 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 58.0691 5700.0 69.0569 4700.0 72.9213 5900.0 83.6148 5700.0 96.8869 18000.0 96.8928 14000.0 103.6776 6200.0 104.0248 7500.0 104.6425 7000.0 110.4625 5600.0 END IONS BEGIN IONS SCANS=679 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 410000.0 67.9999 27000.0 69.0563 25000.0 71.3467 26000.0 72.9508 56000.0 85.0028 7200000.0 96.886 100000.0 96.8927 63000.0 END IONS BEGIN IONS SCANS=680 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 430000.0 65.9924 30000.0 68.0002 44000.0 72.2504 29000.0 85.0027 8500000.0 END IONS BEGIN IONS SCANS=681 PEPMASS=104.0324 CHARGE=-1 COLLISION_ENERGY=0.0 89.028 5100.0 96.8881 28000.0 101.4711 4800.0 104.0239 11000.0 104.5944 4800.0 END IONS BEGIN IONS SCANS=682 PEPMASS=146.9242 CHARGE=-1 COLLISION_ENERGY=0.0 58.2088 1900.0 59.7971 2000.0 68.7457 2100.0 73.6346 2200.0 81.197 2100.0 81.4368 1900.0 94.708 2200.0 102.3341 2300.0 125.3354 2300.0 146.9246 110000.0 END IONS BEGIN IONS SCANS=683 PEPMASS=192.996 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 2300.0 53.5361 2200.0 55.4528 2300.0 63.3912 2100.0 81.3611 2200.0 85.0028 660000.0 90.9319 3700.0 96.89 3000.0 144.171 2100.0 176.4911 2300.0 193.0857 4800.0 END IONS BEGIN IONS SCANS=684 PEPMASS=103.0158 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 120000.0 61.5139 2000.0 72.7235 5200.0 76.005 21000.0 83.881 2100.0 90.7012 2000.0 96.8847 4700.0 96.8916 11000.0 103.016 45000.0 103.028 2000.0 END IONS BEGIN IONS SCANS=685 PEPMASS=104.0275 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 7100.0 57.2621 7200.0 62.1569 7500.0 68.2505 6800.0 71.9414 7100.0 96.8871 12000.0 98.7517 6800.0 99.22 7700.0 104.0237 15000.0 107.9638 6600.0 124.6734 6400.0 END IONS BEGIN IONS SCANS=686 PEPMASS=129.9602 CHARGE=-1 COLLISION_ENERGY=0.0 51.5213 2000.0 51.6846 2100.0 60.465 2000.0 79.1298 2100.0 80.7705 2100.0 89.5958 1900.0 96.8872 2500.0 103.0285 11000.0 106.3221 2000.0 115.204 2100.0 129.0319 2100.0 130.0394 54000.0 140.245 2300.0 END IONS BEGIN IONS SCANS=687 PEPMASS=632.7269 CHARGE=-1 COLLISION_ENERGY=0.0 54.2563 3100.0 57.0336 3100.0 60.4786 3600.0 60.9705 2600.0 63.9853 2900.0 64.4643 2700.0 66.9939 2700.0 69.5814 3200.0 78.9562 2700.0 96.8909 3400.0 128.9577 150000.0 146.6015 2700.0 162.1217 3100.0 212.9208 11000.0 296.8829 53000.0 333.1675 3400.0 376.9239 3800.0 380.8427 15000.0 455.8618 3300.0 END IONS BEGIN IONS SCANS=688 PEPMASS=212.9202 CHARGE=-1 COLLISION_ENERGY=0.0 56.6416 2000.0 81.156 2200.0 96.8867 3100.0 96.8918 3100.0 128.9576 150000.0 128.9693 3800.0 128.9708 2000.0 221.9248 2600.0 END IONS BEGIN IONS SCANS=689 PEPMASS=296.8827 CHARGE=-1 COLLISION_ENERGY=0.0 50.5941 3700.0 53.9877 3900.0 65.6641 3000.0 73.4253 3200.0 96.8889 7100.0 128.9579 830000.0 169.9294 3100.0 186.6925 3300.0 255.0485 4500.0 END IONS BEGIN IONS SCANS=690 PEPMASS=380.8429 CHARGE=-1 COLLISION_ENERGY=0.0 50.3062 2500.0 52.746 2500.0 60.3838 2400.0 72.464 6400.0 89.8928 2700.0 96.8848 5500.0 96.8915 16000.0 113.2137 2900.0 113.7511 3100.0 128.9578 590000.0 128.9748 3800.0 128.9771 3200.0 130.5284 2300.0 145.0059 3000.0 171.2623 2500.0 212.9198 32000.0 280.0108 3000.0 296.8801 4200.0 297.2733 2600.0 308.7443 2800.0 END IONS BEGIN IONS SCANS=691 PEPMASS=464.8034 CHARGE=-1 COLLISION_ENERGY=0.0 52.787 2400.0 55.0191 2600.0 95.5785 3000.0 96.8867 3200.0 128.9577 320000.0 137.4169 2600.0 180.8532 2600.0 198.1288 2700.0 212.9202 24000.0 296.8824 40000.0 END IONS BEGIN IONS SCANS=692 PEPMASS=548.7634 CHARGE=-1 COLLISION_ENERGY=0.0 53.8769 2500.0 61.5314 2500.0 87.0928 2400.0 95.8489 2900.0 96.889 4800.0 105.7956 2900.0 107.2651 2700.0 111.0073 3400.0 128.9438 3700.0 128.9577 230000.0 212.9207 21000.0 258.5047 3600.0 296.8824 67000.0 380.8451 10000.0 END IONS BEGIN IONS SCANS=693 PEPMASS=382.841 CHARGE=-1 COLLISION_ENERGY=0.0 61.6667 2200.0 73.8133 2500.0 75.3973 2800.0 89.0562 2300.0 96.8884 2400.0 118.1904 2200.0 125.5096 2500.0 128.9578 86000.0 130.9555 29000.0 214.9206 3300.0 288.0694 2600.0 336.1655 2700.0 369.2418 2400.0 END IONS BEGIN IONS SCANS=694 PEPMASS=128.9585 CHARGE=-1 COLLISION_ENERGY=0.0 51.3219 14000.0 52.6485 12000.0 52.78 12000.0 53.6194 12000.0 53.8392 13000.0 54.2937 14000.0 54.649 12000.0 54.7458 14000.0 54.9252 13000.0 55.206 12000.0 56.9424 14000.0 57.5604 15000.0 57.7175 13000.0 57.8849 14000.0 59.7865 15000.0 60.4525 17000.0 60.7858 13000.0 62.1702 14000.0 62.1743 13000.0 63.3083 13000.0 63.4805 14000.0 64.1031 15000.0 65.3536 14000.0 65.7151 14000.0 66.6092 14000.0 68.6262 13000.0 70.5393 15000.0 71.0842 12000.0 71.3836 14000.0 74.3702 18000.0 75.1246 15000.0 75.4345 12000.0 75.6043 13000.0 76.1696 15000.0 76.959 12000.0 78.0 14000.0 78.7291 16000.0 78.9606 13000.0 79.3492 15000.0 79.6425 13000.0 80.2682 15000.0 81.025 13000.0 81.0513 14000.0 84.5265 15000.0 85.4748 13000.0 85.8175 14000.0 85.8646 14000.0 90.7472 12000.0 95.9348 12000.0 96.6184 16000.0 96.8905 20000.0 99.1262 15000.0 100.9853 14000.0 103.1787 13000.0 104.1094 13000.0 104.2848 13000.0 104.3737 13000.0 105.5003 13000.0 109.4522 13000.0 110.6213 13000.0 116.9634 13000.0 120.3685 15000.0 120.9778 12000.0 121.4381 15000.0 122.2909 13000.0 123.2559 13000.0 127.6335 13000.0 128.2547 13000.0 128.2859 14000.0 130.6892 14000.0 132.5963 13000.0 134.3387 14000.0 135.1429 12000.0 135.2009 14000.0 138.5449 13000.0 139.2466 16000.0 144.64 13000.0 147.2256 14000.0 END IONS BEGIN IONS SCANS=695 PEPMASS=298.8805 CHARGE=-1 COLLISION_ENERGY=0.0 51.5382 2700.0 72.4382 4400.0 96.8856 9100.0 96.8926 8800.0 101.9185 2400.0 109.1854 3000.0 117.5291 2200.0 128.9577 120000.0 130.9556 56000.0 170.3479 2200.0 227.9154 2600.0 END IONS BEGIN IONS SCANS=696 PEPMASS=130.9554 CHARGE=-1 COLLISION_ENERGY=0.0 51.9458 1800.0 60.7569 2200.0 65.1875 2100.0 65.7957 1900.0 65.9973 4600.0 68.7677 2400.0 68.8971 2200.0 72.5227 4100.0 82.1234 2000.0 96.8867 13000.0 96.8936 5300.0 97.2347 2200.0 104.0003 2300.0 119.4707 2400.0 130.9296 73000.0 131.0342 16000.0 END IONS BEGIN 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5300.0 71.357 4200.0 74.8084 4200.0 104.0248 6000.0 111.3605 5100.0 116.215 4900.0 END IONS BEGIN IONS SCANS=703 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5156 2800.0 59.0124 130000.0 60.4595 2000.0 64.5719 2000.0 72.5881 1900.0 76.0049 16000.0 76.1231 2700.0 98.1401 2000.0 103.0161 38000.0 103.0288 1900.0 END IONS BEGIN IONS SCANS=704 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 67.6055 6300.0 73.964 6500.0 74.0876 6400.0 84.6696 5900.0 86.6596 6100.0 96.887 19000.0 96.8927 9200.0 104.024 21000.0 108.3143 6200.0 END IONS BEGIN IONS SCANS=705 PEPMASS=163.0234 CHARGE=-1 COLLISION_ENERGY=0.0 61.9868 5500.0 65.0131 390000.0 90.4219 2100.0 96.8898 4300.0 118.6425 1900.0 118.9915 6700.0 125.6356 2400.0 152.5694 2700.0 154.6664 2100.0 161.6962 2500.0 162.8374 14000.0 163.0006 2300.0 END IONS BEGIN IONS SCANS=706 PEPMASS=181.0714 CHARGE=-1 COLLISION_ENERGY=0.0 50.3327 22000.0 55.0176 47000.0 56.2475 19000.0 57.0334 39000.0 58.0045 27000.0 59.0125 1300000.0 64.4435 18000.0 69.0331 24000.0 71.0124 1500000.0 71.0207 21000.0 72.9913 21000.0 73.0279 580000.0 83.0123 120000.0 85.0279 290000.0 87.0069 61000.0 87.0433 22000.0 89.0229 1100000.0 89.9287 21000.0 91.0383 36000.0 95.0119 36000.0 96.8893 28000.0 97.0275 120000.0 101.0229 1700000.0 101.032 30000.0 103.0384 28000.0 113.0228 270000.0 115.0381 110000.0 119.0334 200000.0 127.8677 23000.0 131.0329 91000.0 143.034 35000.0 149.0439 62000.0 161.0444 38000.0 163.0597 240000.0 181.0705 3300000.0 181.3545 21000.0 END IONS BEGIN IONS SCANS=707 PEPMASS=227.0764 CHARGE=-1 COLLISION_ENERGY=0.0 50.6201 2000.0 53.6653 2300.0 55.0175 2200.0 56.7069 2200.0 59.0123 22000.0 70.0109 2000.0 71.0123 24000.0 73.0276 5700.0 75.4719 2200.0 85.0275 4600.0 86.0095 2100.0 86.3841 2000.0 89.0225 22000.0 89.0578 2400.0 96.8895 6700.0 101.0226 35000.0 112.3031 2600.0 113.0224 5100.0 119.0327 3100.0 140.3297 2100.0 142.9904 3400.0 163.0591 10000.0 181.0702 340000.0 186.1111 2600.0 210.994 2400.0 END IONS BEGIN IONS SCANS=708 PEPMASS=182.0728 CHARGE=-1 COLLISION_ENERGY=0.0 57.0328 2200.0 59.0123 59000.0 60.0156 27000.0 66.4922 2500.0 71.0124 57000.0 72.0155 49000.0 73.0276 24000.0 74.0311 17000.0 74.4239 2000.0 85.0279 5400.0 86.031 14000.0 89.0228 41000.0 90.0259 38000.0 96.0149 2500.0 96.8907 3100.0 97.0272 2600.0 98.0312 6900.0 101.0227 39000.0 102.0262 75000.0 113.0227 4300.0 114.0262 15000.0 115.6255 2100.0 116.0413 5300.0 119.0326 5200.0 120.0362 7300.0 122.7911 2000.0 132.0378 3200.0 162.0466 2500.0 164.0632 20000.0 182.0736 190000.0 END IONS BEGIN IONS SCANS=709 PEPMASS=181.0578 CHARGE=-1 COLLISION_ENERGY=0.0 50.4991 25000.0 55.0134 350000.0 57.0289 230000.0 58.0002 160000.0 59.0018 51000.0 59.008 7600000.0 60.0113 110000.0 67.9222 29000.0 69.0281 220000.0 71.0071 8500000.0 71.0151 39000.0 72.0104 160000.0 72.9862 110000.0 73.0184 76000.0 73.0226 2900000.0 73.0674 28000.0 74.0258 68000.0 75.0018 42000.0 83.0063 670000.0 84.0094 29000.0 85.0217 1500000.0 87.0009 210000.0 87.037 60000.0 88.0085 35000.0 89.0163 4400000.0 90.0196 87000.0 91.0317 170000.0 95.0054 260000.0 96.8975 91000.0 97.0209 530000.0 98.9999 77000.0 99.036 27000.0 100.5565 23000.0 101.0155 8400000.0 101.0906 28000.0 102.0186 250000.0 103.0309 100000.0 113.0147 1300000.0 114.018 40000.0 115.0301 320000.0 119.0248 550000.0 121.0402 91000.0 125.0135 38000.0 127.0291 81000.0 131.024 520000.0 143.0237 190000.0 149.0333 150000.0 161.0324 160000.0 163.0347 57000.0 163.0482 1100000.0 163.0618 63000.0 164.0511 50000.0 179.0417 51000.0 181.0575 10000000.0 181.0902 85000.0 182.0611 550000.0 182.5791 25000.0 END IONS BEGIN IONS SCANS=710 PEPMASS=84.0014 CHARGE=-1 COLLISION_ENERGY=0.0 52.9535 2100.0 57.9877 7000.0 84.9828 5500.0 84.9966 96000.0 85.0008 1400.0 96.8919 2000.0 96.8978 2600.0 98.1109 2000.0 99.917 16000.0 END IONS BEGIN IONS SCANS=711 PEPMASS=244.0493 CHARGE=-1 COLLISION_ENERGY=0.0 51.5391 2800.0 61.9759 4100.0 61.9823 900000.0 62.583 2200.0 62.9797 2700.0 70.992 2100.0 72.1474 2300.0 78.0487 3000.0 82.1255 2400.0 83.5086 2000.0 94.5877 2500.0 99.9171 5400.0 116.9192 3200.0 121.797 2600.0 132.9808 2500.0 135.6879 2500.0 156.0547 2600.0 176.9839 4600.0 180.9758 17000.0 196.9401 2600.0 196.9718 3400.0 204.9742 12000.0 216.9742 3700.0 224.9816 5400.0 244.9875 5100.0 252.1993 2700.0 END IONS BEGIN IONS SCANS=712 PEPMASS=266.0687 CHARGE=-1 COLLISION_ENERGY=0.0 59.0081 26000.0 71.007 28000.0 73.0227 11000.0 73.6471 2600.0 80.2365 2400.0 82.7643 2800.0 83.9881 3300.0 83.9911 6000.0 84.0014 1200000.0 84.0096 5600.0 84.0117 6100.0 85.0046 21000.0 85.0217 7200.0 89.0163 21000.0 95.0049 2700.0 96.8964 6500.0 99.9162 2900.0 101.0155 43000.0 101.9151 2900.0 109.549 2400.0 113.0146 7300.0 114.6602 2300.0 116.9857 4100.0 119.0251 2900.0 134.3179 2500.0 153.5455 2400.0 161.6183 2800.0 162.9882 3000.0 163.0489 12000.0 178.9787 3300.0 181.0407 3000.0 181.0446 3300.0 181.0576 320000.0 182.0614 12000.0 182.9731 4500.0 198.9845 4900.0 201.9249 4200.0 206.9724 6700.0 226.9775 5800.0 237.8537 3800.0 238.8517 4300.0 246.9831 4700.0 266.966 5800.0 END IONS BEGIN IONS SCANS=713 PEPMASS=280.9763 CHARGE=-1 COLLISION_ENERGY=0.0 51.5437 3300.0 75.6889 2500.0 84.9308 8000.0 85.638 2900.0 87.0008 2400.0 96.8931 4900.0 98.9464 4500.0 99.8156 2400.0 99.917 65000.0 100.9186 4600.0 100.9247 230000.0 101.925 16000.0 112.9761 5900.0 114.9394 6900.0 115.9108 280000.0 116.9108 19000.0 116.9186 75000.0 117.9186 9000.0 124.9233 2800.0 126.9385 26000.0 128.9175 3600.0 128.9855 3500.0 130.933 12000.0 132.9786 3400.0 140.954 3200.0 141.9249 12000.0 142.9325 30000.0 152.8825 3200.0 152.9138 3000.0 152.9848 4800.0 154.932 21000.0 155.5478 2400.0 156.998 3200.0 164.9834 3200.0 167.9387 9900.0 168.9463 9600.0 170.9256 7800.0 176.9657 2400.0 176.9828 5600.0 182.9246 3400.0 184.9402 32000.0 185.9412 3700.0 196.9395 74000.0 196.9882 9600.0 197.9407 6700.0 214.9487 20000.0 216.9743 2800.0 216.9939 2800.0 226.9472 17000.0 232.9641 2700.0 240.9708 5700.0 244.9579 83000.0 245.3216 2400.0 245.9591 11000.0 252.9835 11000.0 266.9621 6100.0 280.977 66000.0 281.9785 6000.0 END IONS BEGIN IONS SCANS=714 PEPMASS=371.1096 CHARGE=-1 COLLISION_ENERGY=0.0 55.9031 2600.0 60.0774 2600.0 65.2358 2600.0 71.007 6000.0 90.9701 2600.0 91.7447 2600.0 98.805 2400.0 101.015 3300.0 137.8566 3300.0 147.576 2500.0 158.5701 2400.0 181.0575 2900.0 189.0424 8900.0 191.0584 2900.0 207.0517 12000.0 266.9644 3300.0 273.1753 2800.0 371.0604 4000.0 371.1097 200000.0 372.1119 18000.0 END IONS BEGIN IONS SCANS=715 PEPMASS=217.032 CHARGE=-1 COLLISION_ENERGY=0.0 51.5446 2300.0 59.008 11000.0 65.3086 2200.0 71.007 12000.0 73.0225 3700.0 89.0165 8500.0 90.6233 2100.0 96.8941 3700.0 96.9515 33000.0 101.0155 18000.0 112.9945 12000.0 113.0149 3400.0 115.6962 2600.0 116.9187 21000.0 119.2768 2200.0 128.9854 3800.0 132.9796 4600.0 132.9996 7800.0 134.4021 2500.0 134.9948 2700.0 152.9845 12000.0 156.9777 4800.0 163.0483 6500.0 164.7296 2200.0 176.9832 7200.0 181.0406 2900.0 181.0443 2600.0 181.0576 210000.0 182.0611 10000.0 185.3447 2500.0 196.9885 5700.0 199.8356 38000.0 200.8363 8200.0 216.8376 28000.0 216.9748 11000.0 216.9948 3300.0 217.0319 15000.0 217.8378 8300.0 END IONS BEGIN IONS SCANS=716 PEPMASS=227.0602 CHARGE=-1 COLLISION_ENERGY=0.0 55.0134 4600.0 57.0289 3500.0 59.005 3100.0 59.008 100000.0 59.0109 2100.0 60.0112 2900.0 62.0618 2400.0 64.9966 3100.0 69.0279 2400.0 70.9487 2900.0 71.0071 110000.0 73.0188 3700.0 73.0226 47000.0 83.006 8100.0 83.2603 3200.0 85.0218 20000.0 89.0164 81000.0 92.9873 8200.0 95.0054 5100.0 97.0208 9000.0 98.9997 2800.0 101.0155 160000.0 101.0211 2200.0 102.0191 2700.0 113.0148 29000.0 115.0302 13000.0 119.0251 19000.0 119.1622 2400.0 122.586 2600.0 131.0235 12000.0 142.9807 35000.0 143.0229 7800.0 149.0334 3100.0 155.0007 2600.0 159.6582 2500.0 161.0318 6100.0 162.986 32000.0 163.0479 36000.0 166.9803 6600.0 178.9793 5500.0 181.0241 10000.0 181.032 5400.0 181.0576 1400000.0 181.0905 9600.0 182.061 68000.0 186.9852 12000.0 206.9713 6400.0 206.9902 6600.0 226.9783 6800.0 226.9978 3500.0 END IONS BEGIN IONS SCANS=717 PEPMASS=295.043 CHARGE=-1 COLLISION_ENERGY=0.0 61.0438 2100.0 61.9821 2600.0 68.9892 130000.0 68.9926 2300.0 96.8951 3400.0 112.9759 330000.0 113.9794 2200.0 116.9183 2300.0 133.28 2600.0 166.9806 2600.0 190.9982 4300.0 206.9715 3600.0 210.9843 2700.0 221.2872 2700.0 230.1293 2400.0 230.9702 7300.0 234.9648 3100.0 254.9681 4600.0 END IONS BEGIN IONS SCANS=718 PEPMASS=112.9759 CHARGE=-1 COLLISION_ENERGY=0.0 67.9676 1900.0 68.9892 370000.0 69.9923 3100.0 79.0542 2200.0 84.9832 2600.0 92.9875 8200.0 96.8967 3800.0 98.4004 2100.0 99.1533 1900.0 103.8516 1800.0 112.9759 16000.0 113.9166 5600.0 117.0631 2400.0 END IONS BEGIN IONS SCANS=719 PEPMASS=181.0697 CHARGE=-1 COLLISION_ENERGY=0.0 55.0179 2400.0 58.5485 2300.0 59.0123 71000.0 60.7601 2100.0 71.0123 93000.0 72.9914 2400.0 73.0278 31000.0 79.4125 2100.0 83.0123 5700.0 83.0233 6900.0 85.0278 19000.0 89.0228 63000.0 92.9182 10000.0 96.892 2300.0 97.0278 6200.0 101.0006 2300.0 101.0227 89000.0 109.6694 2300.0 112.9839 7700.0 113.0231 13000.0 115.0383 3700.0 119.033 11000.0 131.033 6800.0 136.9078 5700.0 143.0328 2700.0 150.8289 2500.0 163.0598 10000.0 180.9217 2800.0 180.9863 2500.0 181.0706 150000.0 END IONS BEGIN IONS SCANS=720 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.6768 41000.0 56.6893 39000.0 57.9921 570000.0 65.6877 37000.0 67.0156 41000.0 68.0 45000.0 85.0028 11000000.0 96.8865 44000.0 END IONS BEGIN IONS SCANS=721 PEPMASS=244.0658 CHARGE=-1 COLLISION_ENERGY=0.0 54.8244 2100.0 54.9629 2100.0 57.5951 2200.0 61.9824 2800.0 61.9832 3800.0 61.9871 190000.0 62.0347 2100.0 65.1968 2200.0 91.1398 2400.0 97.3413 2300.0 110.6067 2500.0 118.1915 2100.0 174.601 2200.0 END IONS BEGIN IONS SCANS=722 PEPMASS=217.0478 CHARGE=-1 COLLISION_ENERGY=0.0 96.8879 2600.0 99.6952 2200.0 123.6096 2000.0 129.9031 2100.0 159.2117 2500.0 181.0705 28000.0 217.0479 5300.0 END IONS BEGIN IONS SCANS=723 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 52.1137 31000.0 52.7859 35000.0 57.6704 33000.0 57.992 530000.0 58.9806 33000.0 80.015 35000.0 85.0028 11000000.0 94.4934 34000.0 94.8832 36000.0 96.8894 43000.0 END IONS BEGIN IONS SCANS=724 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 55.4685 25000.0 57.9921 360000.0 62.1322 23000.0 84.529 28000.0 84.8956 28000.0 85.0028 6900000.0 85.7445 29000.0 96.8891 54000.0 END IONS BEGIN IONS SCANS=725 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 51.5358 48000.0 57.992 510000.0 65.437 42000.0 66.8105 37000.0 85.0029 11000000.0 85.0135 66000.0 96.8905 74000.0 98.1757 49000.0 END IONS BEGIN IONS SCANS=726 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 2000.0 51.4874 1700.0 52.0204 1700.0 52.3659 1500.0 52.7456 1400.0 52.8747 1600.0 52.9335 1800.0 54.005 1700.0 55.1488 1600.0 56.0072 1500.0 56.1892 1900.0 56.7954 2000.0 57.3381 1800.0 57.915 1600.0 58.4045 2100.0 58.4378 1500.0 58.8082 1700.0 59.4775 1500.0 60.2315 1500.0 60.322 1600.0 60.3914 1700.0 60.9624 1500.0 61.6937 1800.0 61.7182 1500.0 62.0144 1600.0 62.1835 1800.0 62.4876 1500.0 62.5406 1500.0 63.9809 1700.0 64.4626 1800.0 64.555 1500.0 64.7116 1900.0 67.0026 1700.0 67.2825 1500.0 69.6093 1600.0 70.7831 2000.0 72.4393 1800.0 75.4091 1800.0 75.6217 1500.0 76.2759 1500.0 77.8425 2000.0 78.6926 1600.0 80.4571 2100.0 81.048 1600.0 84.2345 1700.0 84.5381 1800.0 86.6729 1400.0 89.046 1400.0 89.4018 1500.0 89.7535 2000.0 90.5368 1800.0 91.0968 1800.0 92.7132 1600.0 94.4687 1800.0 94.9017 1900.0 95.1374 1600.0 96.5137 2100.0 96.8915 2100.0 97.1621 1400.0 98.1388 1700.0 98.1454 1800.0 102.8869 1500.0 105.2983 1500.0 105.4623 1400.0 110.0597 1500.0 110.465 1700.0 110.971 1400.0 111.7852 1600.0 113.4632 1600.0 114.0543 1600.0 114.0939 1400.0 121.472 1800.0 123.831 1700.0 END IONS BEGIN IONS SCANS=727 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 53.1339 4400.0 55.6855 5400.0 60.4633 4600.0 78.8123 4900.0 104.024 13000.0 104.3614 5200.0 END IONS BEGIN IONS SCANS=728 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 50.1881 1800.0 51.5124 3000.0 59.0124 3500.0 60.4552 3400.0 61.4696 1900.0 71.1023 1900.0 86.5504 2000.0 96.888 3300.0 97.0266 1900.0 99.9245 6600.0 100.9242 3300.0 101.9321 3800.0 102.008 12000.0 116.9191 13000.0 END IONS BEGIN IONS SCANS=729 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 7100.0 57.2621 7200.0 62.1569 7500.0 68.2505 6800.0 71.9414 7100.0 96.8871 12000.0 98.7517 6800.0 99.22 7700.0 104.0237 15000.0 107.9638 6600.0 124.6734 6400.0 END IONS BEGIN IONS SCANS=730 PEPMASS=239.0767 CHARGE=-1 COLLISION_ENERGY=0.0 51.2495 2000.0 57.8579 2100.0 61.9865 2000.0 66.8489 2200.0 68.5628 2100.0 69.0804 2100.0 70.8331 2300.0 72.4994 2500.0 81.0141 2200.0 96.8893 4000.0 99.9817 2700.0 104.9933 2000.0 107.6406 2100.0 116.0709 2300.0 157.1995 2100.0 176.0117 2000.0 229.9445 2700.0 243.8969 2700.0 END IONS BEGIN IONS SCANS=731 PEPMASS=239.0751 CHARGE=-1 COLLISION_ENERGY=0.0 51.5354 1900.0 59.1636 2400.0 65.1663 2000.0 76.6576 2000.0 78.1453 2000.0 78.2298 2200.0 82.7887 2200.0 96.8883 4500.0 97.1201 2200.0 103.4177 2100.0 129.5592 2200.0 134.4308 2200.0 168.5361 2100.0 END IONS BEGIN IONS SCANS=732 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 50.8799 35000.0 52.265 39000.0 53.8274 39000.0 54.5916 35000.0 57.992 710000.0 68.0 74000.0 73.7952 38000.0 84.9921 110000.0 84.9939 45000.0 85.0028 12000000.0 85.0135 75000.0 87.8487 41000.0 END IONS BEGIN IONS SCANS=733 PEPMASS=103.0132 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 270000.0 64.5407 2100.0 67.1773 2000.0 76.005 14000.0 87.0727 2800.0 96.8894 4100.0 103.0163 38000.0 104.0825 2600.0 117.9174 3600.0 END IONS BEGIN IONS SCANS=734 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 55.4609 26000.0 56.5205 30000.0 57.9921 410000.0 60.4716 30000.0 62.8626 28000.0 79.7872 29000.0 81.2752 30000.0 85.0028 8100000.0 END IONS BEGIN IONS SCANS=735 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 52.7114 44000.0 57.9921 460000.0 71.9582 37000.0 85.0028 9200000.0 96.8893 92000.0 104.2457 39000.0 END IONS BEGIN IONS SCANS=736 PEPMASS=192.9963 CHARGE=-1 COLLISION_ENERGY=0.0 71.3158 2300.0 73.8854 2200.0 84.992 5400.0 85.0028 930000.0 90.9314 4500.0 96.8849 2500.0 96.8909 4100.0 107.4835 2800.0 113.3186 2300.0 114.6994 2100.0 144.8723 2600.0 177.3719 2400.0 183.6074 2100.0 192.9108 3700.0 193.0862 5600.0 END IONS BEGIN IONS SCANS=737 PEPMASS=134.8834 CHARGE=-1 COLLISION_ENERGY=0.0 60.5944 2000.0 64.6507 2600.0 66.9927 4700.0 75.8041 2400.0 82.2178 2300.0 94.9855 4300.0 96.7396 2300.0 96.8941 2700.0 97.9131 2500.0 99.917 34000.0 134.5144 2700.0 134.8553 37000.0 134.8605 4600.0 134.8835 1100000.0 134.9002 3900.0 134.9049 11000.0 134.9943 2500.0 135.8726 2900.0 135.8834 120000.0 135.9599 12000.0 END IONS BEGIN IONS SCANS=738 PEPMASS=146.9638 CHARGE=-1 COLLISION_ENERGY=0.0 51.5226 2300.0 56.4736 2200.0 59.2501 1800.0 61.9869 110000.0 63.4424 1900.0 63.6487 2400.0 81.7016 2100.0 87.9234 4300.0 93.6043 2100.0 94.3989 2300.0 94.6613 2700.0 96.8899 3900.0 102.9477 5900.0 118.3622 2100.0 157.219 2200.0 END IONS BEGIN IONS SCANS=739 PEPMASS=181.0695 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 6300.0 57.0334 2900.0 58.8229 2000.0 59.0124 110000.0 59.7962 2100.0 66.8211 2300.0 69.0327 3200.0 71.0124 140000.0 73.0279 30000.0 83.0124 11000.0 83.0237 4800.0 85.0278 30000.0 85.936 2100.0 87.0069 3100.0 89.0228 96000.0 89.8085 2200.0 91.0394 2500.0 96.8864 2400.0 96.8919 2200.0 96.9583 7800.0 96.9672 2700.0 97.0274 8700.0 101.0228 140000.0 109.0279 2400.0 113.0231 14000.0 115.0389 5700.0 119.0331 14000.0 121.0479 3300.0 131.0333 11000.0 145.0724 2500.0 149.0444 3300.0 154.7484 2500.0 163.0596 33000.0 180.9215 2600.0 181.0705 190000.0 181.0923 2600.0 191.3061 2300.0 END IONS BEGIN IONS SCANS=740 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.142 36000.0 57.9921 440000.0 64.6196 35000.0 69.7196 36000.0 85.0028 8300000.0 96.8896 43000.0 END IONS BEGIN IONS SCANS=741 PEPMASS=181.0709 CHARGE=-1 COLLISION_ENERGY=0.0 54.391 2100.0 55.0174 7000.0 57.033 7200.0 58.0045 2800.0 59.0124 190000.0 69.033 5000.0 70.0547 2200.0 71.0124 230000.0 71.0175 3600.0 72.992 2300.0 73.0277 45000.0 74.2209 2400.0 83.0122 17000.0 83.0234 3600.0 84.212 2400.0 85.0277 51000.0 87.0066 5800.0 89.0227 150000.0 89.0295 4800.0 95.0117 4500.0 96.8878 3200.0 96.9578 6800.0 97.0276 11000.0 100.584 2400.0 101.0227 240000.0 101.0322 2800.0 103.0386 3100.0 113.0228 26000.0 115.0386 11000.0 116.5332 2500.0 119.0332 32000.0 125.412 2200.0 131.0324 16000.0 135.3058 2200.0 137.0952 2600.0 143.0329 3900.0 149.0441 7500.0 161.0442 3800.0 163.0596 49000.0 167.2471 2300.0 179.055 2900.0 180.9875 3500.0 181.0704 280000.0 END IONS BEGIN IONS SCANS=742 PEPMASS=169.9793 CHARGE=-1 COLLISION_ENERGY=0.0 50.3408 1800.0 60.4675 2500.0 61.9867 20000.0 65.0129 2100.0 66.8795 2100.0 75.2509 2100.0 84.5316 2600.0 85.0027 770000.0 96.273 2300.0 96.8885 3000.0 98.3991 2300.0 108.4034 2200.0 131.7114 2200.0 END IONS BEGIN IONS SCANS=743 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 52.7702 33000.0 57.9921 460000.0 59.3186 42000.0 61.4289 37000.0 68.0001 46000.0 75.3442 45000.0 82.5928 41000.0 85.0028 10000000.0 85.2527 42000.0 96.8909 41000.0 END IONS BEGIN IONS SCANS=744 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 59.844 6200.0 60.4114 5800.0 69.3744 6500.0 70.2887 6200.0 86.0094 6600.0 89.5693 6800.0 93.6099 5600.0 96.8897 32000.0 104.0241 10000.0 END IONS BEGIN IONS SCANS=745 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 55.6545 3800.0 56.3271 4600.0 58.9879 4900.0 96.8893 7800.0 104.0242 11000.0 113.8452 5600.0 END IONS BEGIN IONS SCANS=746 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 440000.0 68.0001 44000.0 75.1817 27000.0 85.0028 9400000.0 96.8904 45000.0 104.6696 32000.0 END IONS BEGIN IONS SCANS=747 PEPMASS=192.9964 CHARGE=-1 COLLISION_ENERGY=0.0 50.7103 2200.0 61.1069 2300.0 62.2406 2200.0 64.6069 2300.0 71.4601 2100.0 74.7459 2100.0 80.7355 2500.0 85.0028 850000.0 90.9319 2900.0 95.2745 2100.0 96.8918 2300.0 100.9792 2500.0 124.6151 2100.0 165.0399 2200.0 191.6613 3300.0 192.911 5700.0 193.0866 4800.0 198.1467 2400.0 END IONS BEGIN IONS SCANS=748 PEPMASS=225.0595 CHARGE=-1 COLLISION_ENERGY=0.0 57.418 2200.0 59.0123 40000.0 71.0121 25000.0 75.9674 2200.0 83.1183 2100.0 85.0276 3400.0 89.0228 36000.0 101.0225 17000.0 102.6434 2200.0 107.134 2500.0 113.0226 16000.0 119.0331 13000.0 137.2765 2100.0 143.0333 2900.0 204.9871 2300.0 227.8846 2400.0 END IONS BEGIN IONS SCANS=749 PEPMASS=192.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 3700.0 58.7251 2500.0 66.1712 2100.0 85.0027 730000.0 90.9317 3900.0 96.1329 2500.0 96.889 4100.0 159.0041 2200.0 193.0513 2700.0 193.0863 6200.0 200.3692 2400.0 END IONS BEGIN IONS SCANS=750 PEPMASS=179.0537 CHARGE=-1 COLLISION_ENERGY=0.0 54.9313 2000.0 57.0331 2700.0 58.0047 4500.0 59.0125 300000.0 61.5682 2200.0 63.5254 2100.0 64.7503 2100.0 71.0123 180000.0 71.0174 4100.0 72.9917 7100.0 83.0126 3400.0 83.6294 2300.0 85.0277 22000.0 87.0071 3700.0 88.3489 2100.0 89.0227 86000.0 95.012 11000.0 96.8915 6300.0 101.0227 36000.0 113.0226 30000.0 118.0563 2100.0 119.0336 15000.0 136.0142 8400.0 144.9127 2100.0 166.9261 2400.0 179.0195 45000.0 END IONS BEGIN IONS SCANS=751 PEPMASS=143.0335 CHARGE=-1 COLLISION_ENERGY=0.0 51.5141 2300.0 54.981 2000.0 59.0127 2200.0 65.5508 2200.0 66.0243 1900.0 69.0331 3000.0 69.9547 2000.0 71.0125 8800.0 77.2161 1900.0 85.0281 14000.0 87.0073 7200.0 89.0128 3000.0 96.8887 2700.0 97.0281 4700.0 97.7486 1900.0 99.0442 2700.0 116.0243 6900.0 125.0235 2600.0 139.1839 2000.0 143.0236 8800.0 143.0351 22000.0 END IONS BEGIN IONS SCANS=752 PEPMASS=179.055 CHARGE=-1 COLLISION_ENERGY=0.0 51.0252 2300.0 55.0176 3700.0 57.0332 2600.0 58.0047 9900.0 59.0126 530000.0 70.2232 2300.0 71.0123 360000.0 72.9915 11000.0 73.0283 2900.0 83.0122 4900.0 85.0277 40000.0 87.007 5000.0 89.0227 170000.0 94.9791 7400.0 95.0118 22000.0 96.89 3000.0 101.0227 71000.0 102.9864 2600.0 113.0226 55000.0 119.0335 28000.0 136.0129 3600.0 179.0192 21000.0 197.7048 2700.0 END IONS BEGIN IONS SCANS=753 PEPMASS=101.0223 CHARGE=-1 COLLISION_ENERGY=0.0 51.5321 2100.0 55.0177 5300.0 76.817 1900.0 87.6552 1900.0 96.8872 2400.0 99.9241 27000.0 100.6949 2300.0 100.9318 31000.0 101.0229 3000.0 115.9192 130000.0 END IONS BEGIN IONS SCANS=754 PEPMASS=113.0223 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 2800.0 57.0333 7900.0 58.0285 1800.0 68.9943 110000.0 70.2147 2100.0 83.0123 2400.0 84.02 3600.0 85.0278 29000.0 96.8917 2400.0 112.9842 4700.0 112.9978 16000.0 113.0239 3400.0 END IONS BEGIN IONS SCANS=755 PEPMASS=225.0607 CHARGE=-1 COLLISION_ENERGY=0.0 50.1958 2100.0 53.6495 2100.0 54.3837 2000.0 57.0422 2300.0 58.1023 2000.0 59.0124 62000.0 61.614 2400.0 71.0123 46000.0 85.0282 4000.0 89.0228 56000.0 95.0122 2400.0 96.8895 2500.0 101.0227 28000.0 103.4087 2200.0 113.0228 21000.0 118.919 2100.0 119.0334 20000.0 140.147 2200.0 148.9027 2300.0 179.056 4300.0 200.1329 2200.0 221.9694 2200.0 END IONS BEGIN IONS SCANS=756 PEPMASS=161.0432 CHARGE=-1 COLLISION_ENERGY=0.0 57.0335 7300.0 59.0123 19000.0 61.7256 2100.0 66.6314 2200.0 71.0122 110000.0 72.9917 3300.0 73.0278 9800.0 85.0278 70000.0 95.012 33000.0 96.8874 3600.0 101.0231 4900.0 106.0033 2300.0 113.0226 50000.0 118.0032 2900.0 120.5678 2100.0 126.1045 2200.0 152.3296 2200.0 161.0098 2700.0 END IONS BEGIN IONS SCANS=757 PEPMASS=89.0223 CHARGE=-1 COLLISION_ENERGY=0.0 50.2667 1900.0 54.2812 2100.0 55.2528 2100.0 56.0723 1800.0 59.0123 29000.0 62.0023 6500.0 71.0122 8400.0 72.9914 3300.0 87.075 2100.0 89.0129 74000.0 89.0219 11000.0 96.8877 2500.0 END IONS BEGIN IONS SCANS=758 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 310000.0 60.622 2200.0 61.305 1900.0 67.3487 2300.0 68.6672 2100.0 69.3396 1700.0 72.8969 1900.0 76.005 16000.0 88.0049 2400.0 96.8879 2400.0 103.016 40000.0 103.0278 3600.0 117.9179 5100.0 END IONS BEGIN IONS SCANS=759 PEPMASS=215.0315 CHARGE=-1 COLLISION_ENERGY=0.0 50.7227 2000.0 54.4195 2100.0 59.5794 2200.0 73.8439 2200.0 79.7561 2200.0 91.4524 2100.0 96.8906 4000.0 97.9774 2100.0 131.3695 2200.0 142.0748 2100.0 215.0105 4100.0 END IONS BEGIN IONS SCANS=760 PEPMASS=112.9838 CHARGE=-1 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2100.0 79.9557 20000.0 105.0331 2500.0 118.1209 2200.0 118.9371 2300.0 123.0432 52000.0 163.6489 2300.0 168.9948 3900.0 170.004 3700.0 187.006 760000.0 188.9823 2500.0 204.9122 2800.0 END IONS BEGIN IONS SCANS=765 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 55.1688 42000.0 57.9921 820000.0 64.0992 42000.0 64.9817 41000.0 67.9999 60000.0 84.9922 88000.0 85.0028 14000000.0 93.6835 45000.0 96.8876 83000.0 96.8929 47000.0 END IONS BEGIN IONS SCANS=766 PEPMASS=194.8909 CHARGE=-1 COLLISION_ENERGY=0.0 65.934 2700.0 71.7091 2600.0 80.9577 20000.0 84.6684 2500.0 91.9232 3100.0 92.9206 19000.0 96.8963 4700.0 96.9515 170000.0 96.9579 6100.0 99.9171 5600.0 104.9196 6600.0 113.0149 2600.0 114.9241 10000.0 116.9185 57000.0 117.919 4000.0 128.9851 5200.0 130.9816 74000.0 132.8579 2600.0 148.848 3600.0 148.9068 4900.0 150.9032 3000.0 154.9807 12000.0 159.8794 23000.0 166.9794 5400.0 174.9866 12000.0 176.8495 7900.0 176.8813 1000000.0 177.8793 86000.0 178.8889 3500.0 194.854 8400.0 194.8908 1400000.0 194.9194 6300.0 194.9281 9200.0 194.9931 4900.0 195.0148 2800.0 195.8907 150000.0 END IONS BEGIN IONS SCANS=767 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 50.126 2100.0 53.9377 2200.0 57.0334 15000.0 69.9759 2100.0 71.0127 2800.0 77.4315 2300.0 85.0278 56000.0 87.0072 83000.0 101.0228 7000.0 102.9471 15000.0 110.9961 3300.0 110.9979 3300.0 111.0072 240000.0 129.0173 23000.0 129.0543 4200.0 141.6118 2800.0 146.9377 6900.0 154.9978 3300.0 170.9878 2600.0 173.0086 4200.0 191.0184 32000.0 191.0362 3800.0 191.0551 5600.0 END IONS BEGIN IONS SCANS=768 PEPMASS=104.0275 CHARGE=-1 COLLISION_ENERGY=0.0 51.5409 6300.0 60.0157 6700.0 70.3735 4200.0 80.4062 4600.0 81.0038 4300.0 86.6881 4800.0 89.5332 4400.0 92.0014 5000.0 96.8877 7500.0 102.2253 4500.0 102.3802 5100.0 104.0235 11000.0 105.0249 4600.0 111.3436 4800.0 END IONS BEGIN IONS SCANS=769 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 55.7536 38000.0 57.992 530000.0 67.374 33000.0 67.9998 35000.0 69.8535 41000.0 71.4081 35000.0 85.0027 12000000.0 85.0134 64000.0 END IONS BEGIN IONS SCANS=770 PEPMASS=84.9956 CHARGE=-1 COLLISION_ENERGY=0.0 57.4783 28000.0 57.992 580000.0 69.834 37000.0 70.2956 31000.0 84.9922 64000.0 85.0028 11000000.0 85.0135 76000.0 96.891 32000.0 98.9204 30000.0 99.688 34000.0 END IONS BEGIN IONS SCANS=771 PEPMASS=94.9819 CHARGE=-1 COLLISION_ENERGY=0.0 62.958 310000.0 64.4049 2100.0 67.0237 2000.0 67.5606 2200.0 73.8314 1900.0 76.9628 40000.0 79.9502 6000.0 87.7457 2300.0 94.9721 18000.0 94.9818 280000.0 94.9864 18000.0 95.0165 3100.0 95.9853 3400.0 END IONS BEGIN IONS SCANS=772 PEPMASS=104.0291 CHARGE=-1 COLLISION_ENERGY=0.0 51.5385 5000.0 52.3052 4800.0 52.7422 3700.0 54.3692 4100.0 55.0205 4400.0 58.3509 3600.0 59.8134 3800.0 61.2033 4900.0 62.3767 3400.0 63.009 3800.0 63.8875 3700.0 65.3729 3800.0 66.4562 4400.0 67.0615 4200.0 67.2317 4200.0 67.839 4200.0 71.7803 3800.0 72.226 4300.0 72.23 3800.0 74.5453 4200.0 75.345 4300.0 75.8472 5300.0 75.9433 4100.0 76.5864 4300.0 76.6281 4300.0 78.4548 4800.0 79.762 4900.0 80.9642 4300.0 81.2572 4500.0 82.1082 4500.0 83.337 4000.0 85.0785 4300.0 85.4706 4200.0 85.8366 4100.0 87.9854 4500.0 88.6119 4400.0 88.6686 4000.0 89.1873 4800.0 90.0754 4300.0 90.1516 4000.0 91.305 5400.0 92.9889 3800.0 93.4407 3900.0 96.8877 5700.0 99.6686 5200.0 100.304 4900.0 103.6244 4000.0 104.0242 9800.0 107.049 4200.0 107.162 4700.0 107.277 4100.0 108.3626 3800.0 109.0042 4300.0 112.6964 4900.0 114.9846 5600.0 115.4053 4100.0 117.2699 3900.0 117.4736 4600.0 118.2526 3800.0 118.6019 4500.0 120.8422 4800.0 121.2344 4000.0 122.5102 4000.0 122.6354 4700.0 124.5187 4100.0 END IONS BEGIN IONS SCANS=773 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 54.646 34000.0 57.0105 31000.0 57.9921 620000.0 60.4853 35000.0 67.9998 39000.0 81.715 32000.0 85.0028 12000000.0 96.8896 60000.0 END IONS BEGIN IONS SCANS=774 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 51.8263 3600.0 60.0159 4700.0 83.1574 4200.0 91.7297 4800.0 96.8885 4700.0 104.0236 8500.0 END IONS BEGIN IONS 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82.3433 2300.0 87.886 1800.0 96.8865 4900.0 96.8924 4200.0 99.9243 8500.0 100.9242 17000.0 101.9227 3100.0 101.9323 24000.0 102.008 15000.0 116.6605 1900.0 116.708 2200.0 116.9191 72000.0 END IONS BEGIN IONS SCANS=790 PEPMASS=134.8834 CHARGE=-1 COLLISION_ENERGY=0.0 65.8279 2200.0 66.9924 5900.0 71.0073 2700.0 86.615 2300.0 94.9856 2200.0 96.896 3100.0 99.917 29000.0 111.2996 2100.0 114.7817 2300.0 128.1462 2100.0 134.8549 51000.0 134.8835 920000.0 135.8728 2400.0 135.8834 96000.0 135.9592 4700.0 END IONS BEGIN IONS SCANS=791 PEPMASS=179.8685 CHARGE=-1 COLLISION_ENERGY=0.0 50.6544 2000.0 51.5486 2200.0 51.5781 2000.0 54.5542 2300.0 71.0069 2600.0 80.9578 3900.0 93.0262 2600.0 96.9514 3900.0 99.917 190000.0 99.9224 2300.0 100.9169 19000.0 108.9807 4100.0 115.9108 57000.0 116.9109 5200.0 132.9791 3200.0 156.8774 2200.0 160.9735 2600.0 161.877 5100.0 179.8291 2000.0 179.8353 6000.0 179.8438 5100.0 179.8686 920000.0 179.884 34000.0 179.9105 3300.0 180.8287 13000.0 180.8439 4100.0 180.8686 93000.0 180.8823 2100.0 180.9758 10000.0 180.9993 3800.0 END IONS BEGIN IONS SCANS=792 PEPMASS=84.9966 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 570000.0 68.0002 66000.0 71.7847 33000.0 72.8196 29000.0 85.0028 11000000.0 85.0134 61000.0 87.6253 36000.0 96.8905 55000.0 98.1429 31000.0 END IONS BEGIN IONS SCANS=793 PEPMASS=170.9777 CHARGE=-1 COLLISION_ENERGY=0.0 57.2114 2200.0 57.827 2300.0 62.3658 2000.0 62.9799 2700.0 62.9827 29000.0 62.9991 27000.0 63.0604 2100.0 63.1724 2200.0 69.2553 2200.0 70.6099 2100.0 71.0068 2100.0 71.9927 3100.0 75.9775 2000.0 78.9927 4500.0 79.6908 1900.0 80.9822 2200.0 86.9807 2600.0 86.9972 4500.0 87.6818 2100.0 92.9874 10000.0 97.9227 2300.0 99.9168 16000.0 102.9911 3600.0 104.9867 18000.0 106.9857 35000.0 107.9889 2400.0 112.8593 2100.0 114.9241 3400.0 115.9105 7200.0 123.1398 2200.0 126.8715 3200.0 126.9906 59000.0 127.0657 7700.0 130.8577 9000.0 130.984 6600.0 134.8539 15000.0 136.8516 12000.0 142.9805 12000.0 150.9888 6400.0 170.8197 32000.0 170.8781 2500.0 170.9774 57000.0 170.9942 7200.0 171.8189 5500.0 171.8749 4800.0 171.897 5000.0 171.9331 5900.0 END IONS BEGIN IONS SCANS=794 PEPMASS=194.8909 CHARGE=-1 COLLISION_ENERGY=0.0 79.9499 8500.0 80.9579 7100.0 81.7479 2900.0 92.9207 20000.0 95.7373 2800.0 96.8969 5200.0 96.9383 23000.0 96.9515 3500000.0 96.9618 25000.0 96.9643 27000.0 96.9684 9500.0 96.9718 5000.0 97.9504 18000.0 97.9559 2900.0 99.9171 4000.0 104.9196 6900.0 114.9242 83000.0 115.9109 7300.0 116.9186 22000.0 130.9815 87000.0 148.9063 4200.0 154.9805 8100.0 159.8798 9900.0 174.9864 10000.0 176.8813 540000.0 176.9052 4700.0 177.8817 40000.0 194.8908 690000.0 194.9107 33000.0 194.9749 3200.0 194.9923 7000.0 195.0133 3500.0 195.8907 69000.0 END IONS BEGIN IONS SCANS=795 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 50.2329 2100.0 55.8985 2600.0 59.0125 190000.0 72.5894 1900.0 76.0049 13000.0 79.8592 1700.0 88.0052 2400.0 90.5222 2000.0 101.9229 2600.0 102.9308 3100.0 103.0164 31000.0 117.9171 12000.0 END IONS BEGIN IONS 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IONS BEGIN IONS SCANS=800 PEPMASS=116.9264 CHARGE=-1 COLLISION_ENERGY=0.0 51.6535 2000.0 58.8051 2100.0 63.1093 2000.0 65.0131 3500.0 73.0281 8200.0 90.0081 19000.0 90.0164 9100.0 96.888 2700.0 99.9241 100000.0 108.4612 2100.0 113.3944 2300.0 114.8278 2100.0 116.9181 6200.0 116.927 570000.0 117.0191 23000.0 117.0272 11000.0 END IONS BEGIN IONS SCANS=801 PEPMASS=115.9186 CHARGE=-1 COLLISION_ENERGY=0.0 51.5162 2400.0 65.013 21000.0 65.3459 2100.0 89.0129 270000.0 96.8896 3200.0 99.9243 10000.0 109.8226 2100.0 115.9188 32000.0 116.0238 270000.0 116.9269 4100.0 134.5698 2100.0 END IONS BEGIN IONS SCANS=802 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.4174 33000.0 57.992 450000.0 74.0517 41000.0 85.0027 9300000.0 96.8881 60000.0 END IONS BEGIN IONS SCANS=803 PEPMASS=144.9214 CHARGE=-1 COLLISION_ENERGY=0.0 57.4745 1900.0 63.8022 1900.0 68.3577 2100.0 74.6137 2700.0 94.8857 2200.0 96.8906 3500.0 100.9321 24000.0 115.919 110000.0 END IONS BEGIN IONS SCANS=804 PEPMASS=100.9319 CHARGE=-1 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59.0125 33000.0 69.1075 2300.0 71.0123 28000.0 73.0278 2500.0 85.0278 5200.0 89.0229 130000.0 96.8906 4800.0 97.5635 2400.0 99.9869 2000.0 101.023 19000.0 104.1579 2300.0 107.7363 2500.0 113.0228 11000.0 117.4809 2800.0 119.0333 11000.0 131.0332 3800.0 143.0341 3400.0 251.0397 2500.0 251.0458 4200.0 251.0767 200000.0 END IONS BEGIN IONS SCANS=808 PEPMASS=133.0121 CHARGE=-1 COLLISION_ENERGY=0.0 55.4549 2300.0 56.2226 2100.0 56.6949 2200.0 59.0124 2800.0 61.8001 2200.0 63.6845 2000.0 71.0124 210000.0 72.604 3400.0 72.6075 3300.0 72.9913 39000.0 80.1873 2200.0 82.6242 2700.0 87.0074 3700.0 89.0227 24000.0 91.8891 2200.0 96.8859 9200.0 96.8926 6000.0 99.8397 2500.0 115.0021 370000.0 132.8662 26000.0 132.899 2600.0 133.0129 76000.0 133.037 2200.0 END IONS BEGIN IONS SCANS=809 PEPMASS=116.9185 CHARGE=-1 COLLISION_ENERGY=0.0 73.0229 12000.0 96.8946 3000.0 99.917 370000.0 100.917 32000.0 101.7415 2300.0 116.9011 12000.0 116.9047 7600.0 116.9186 1900000.0 116.9319 12000.0 116.9358 14000.0 116.9857 3700.0 117.0189 3200.0 117.9185 180000.0 118.0198 5700.0 118.0309 2600.0 134.4146 2300.0 END IONS BEGIN IONS SCANS=810 PEPMASS=213.8636 CHARGE=-1 COLLISION_ENERGY=0.0 68.5451 2400.0 73.8351 2000.0 96.896 3000.0 99.9169 3700.0 116.9185 3100.0 159.8796 63000.0 160.8797 6900.0 166.9795 3500.0 175.8945 18000.0 177.8891 980000.0 177.9206 5300.0 178.889 96000.0 178.905 2700.0 194.9716 4400.0 197.8413 9000.0 213.8638 7300.0 214.8432 7600.0 214.9974 4300.0 END IONS BEGIN IONS SCANS=811 PEPMASS=192.9969 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 2700.0 60.9942 2600.0 84.9891 3500.0 85.0028 1100000.0 85.0116 3400.0 85.0135 9100.0 90.932 2500.0 96.8887 3600.0 132.518 2000.0 185.5491 2300.0 192.9125 2400.0 193.0861 7600.0 END IONS BEGIN IONS SCANS=812 PEPMASS=492.1815 CHARGE=-1 COLLISION_ENERGY=0.0 60.1052 2600.0 70.0357 2900.0 84.0438 3400.0 84.9211 2700.0 88.0388 3200.0 89.0231 15000.0 96.891 3500.0 102.0546 20000.0 102.0698 2900.0 112.8498 2700.0 116.0703 5000.0 124.0392 6300.0 128.0335 78000.0 129.1018 10000.0 138.761 2700.0 138.7719 2700.0 141.0651 4500.0 142.0499 17000.0 146.0442 26000.0 159.076 2700.0 160.0602 77000.0 199.0717 18000.0 245.1147 14000.0 289.0574 4000.0 289.0657 4900.0 289.1043 270000.0 290.559 2600.0 316.3584 2800.0 347.2726 3400.0 446.0067 3200.0 492.1843 51000.0 END IONS BEGIN IONS SCANS=813 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 51.5116 31000.0 57.9921 470000.0 65.9467 29000.0 66.5159 27000.0 68.0003 40000.0 71.9472 31000.0 85.0028 9700000.0 85.0132 56000.0 95.1754 30000.0 96.8894 42000.0 100.2445 27000.0 END IONS BEGIN IONS SCANS=814 PEPMASS=217.0289 CHARGE=-1 COLLISION_ENERGY=0.0 56.7137 2200.0 65.0731 2400.0 67.7834 2000.0 68.6564 2400.0 71.3791 2400.0 89.023 2600.0 96.8865 2600.0 96.8917 2300.0 96.9583 6600.0 127.6398 2200.0 143.1192 2600.0 174.9925 2600.0 187.1086 5600.0 201.2108 2100.0 210.2644 2100.0 END IONS BEGIN IONS SCANS=815 PEPMASS=215.0321 CHARGE=-1 COLLISION_ENERGY=0.0 51.5343 2100.0 54.6052 2200.0 57.5654 2100.0 59.0124 12000.0 60.9371 2600.0 61.6497 2000.0 62.7903 2200.0 65.4111 2200.0 71.0126 8800.0 78.4292 2400.0 89.023 8900.0 96.8864 4100.0 96.8923 4700.0 101.0232 3800.0 119.0335 2500.0 159.1334 2100.0 215.0112 4300.0 215.0324 7900.0 END IONS BEGIN IONS SCANS=816 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 570000.0 85.0028 11000000.0 96.8902 44000.0 END IONS BEGIN IONS SCANS=817 PEPMASS=101.0223 CHARGE=-1 COLLISION_ENERGY=0.0 55.0172 9400.0 57.0329 2600.0 71.9108 2000.0 72.7387 2200.0 80.7735 3000.0 83.4347 2200.0 90.7071 2100.0 96.8868 2500.0 99.9241 100000.0 100.9248 4500.0 100.9319 130000.0 100.9415 2500.0 108.9343 2100.0 115.9191 510000.0 116.4244 2200.0 116.9269 7700.0 END IONS BEGIN IONS SCANS=818 PEPMASS=113.0223 CHARGE=-1 COLLISION_ENERGY=0.0 51.5143 2300.0 57.0331 7100.0 68.9942 60000.0 74.0516 2600.0 84.02 5600.0 84.9892 4000.0 85.0027 4100.0 85.0278 33000.0 87.8383 2000.0 95.9464 1900.0 96.8862 2500.0 96.892 2700.0 112.9851 4100.0 112.9975 18000.0 113.0231 5200.0 118.0844 2100.0 127.7977 2300.0 END IONS BEGIN IONS SCANS=819 PEPMASS=225.061 CHARGE=-1 COLLISION_ENERGY=0.0 50.2972 2100.0 51.5184 3500.0 59.0124 74000.0 59.0162 4100.0 71.0124 40000.0 85.0279 6400.0 89.0229 58000.0 95.0122 4900.0 101.0227 30000.0 101.5864 2000.0 103.5788 2100.0 104.7874 2300.0 113.0229 17000.0 119.0334 26000.0 122.5183 2300.0 128.0173 2400.0 179.0545 4000.0 194.9984 2300.0 202.9247 2400.0 203.0837 2100.0 223.5243 2300.0 END IONS BEGIN IONS SCANS=820 PEPMASS=179.0548 CHARGE=-1 COLLISION_ENERGY=0.0 56.711 2500.0 58.0049 8200.0 59.0126 420000.0 71.0124 280000.0 72.9915 13000.0 73.0279 3700.0 75.0071 17000.0 77.0782 2400.0 83.0128 5900.0 85.0278 33000.0 86.2814 2500.0 87.0073 4600.0 89.0228 120000.0 95.0122 12000.0 96.891 3100.0 101.0229 46000.0 113.0227 44000.0 119.0334 14000.0 161.0449 2700.0 173.2828 2200.0 179.0548 18000.0 END IONS BEGIN IONS SCANS=821 PEPMASS=161.0434 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 12000.0 59.0122 25000.0 71.0124 130000.0 71.0174 3700.0 73.0277 13000.0 73.5735 2000.0 83.0125 2500.0 85.0278 94000.0 87.0072 5200.0 89.0232 3500.0 95.012 41000.0 96.8882 2800.0 101.0226 8100.0 107.7557 2400.0 107.8875 2500.0 113.0226 65000.0 118.0027 2800.0 142.7538 2100.0 149.2286 2000.0 160.8545 2100.0 END IONS BEGIN IONS SCANS=822 PEPMASS=143.0335 CHARGE=-1 COLLISION_ENERGY=0.0 51.5213 2000.0 58.0138 2100.0 68.6107 2100.0 69.0329 5700.0 71.0123 14000.0 72.9922 2400.0 73.028 3100.0 81.0332 2500.0 85.0277 19000.0 87.007 14000.0 90.3551 2200.0 96.8867 3000.0 96.892 3300.0 97.0274 3600.0 113.9247 3000.0 116.0244 7200.0 143.023 10000.0 143.0348 16000.0 END IONS BEGIN IONS SCANS=823 PEPMASS=89.0223 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 2500.0 52.0322 1900.0 59.0122 40000.0 62.0024 7400.0 71.0123 11000.0 72.9913 3700.0 80.1807 2300.0 85.9331 1900.0 89.0127 61000.0 89.023 9200.0 96.8886 4600.0 98.3124 2600.0 100.8206 2100.0 END IONS BEGIN IONS SCANS=824 PEPMASS=179.0539 CHARGE=-1 COLLISION_ENERGY=0.0 50.4026 2300.0 53.3032 2100.0 55.0178 2500.0 55.2793 2000.0 57.0332 3000.0 58.0046 8200.0 59.0126 400000.0 71.0124 260000.0 72.9913 11000.0 75.007 5700.0 83.0124 7200.0 85.0279 32000.0 87.0075 4900.0 89.0228 120000.0 95.0119 11000.0 96.8876 7600.0 96.8932 2600.0 101.0227 48000.0 103.8395 2600.0 107.3924 2000.0 113.0228 35000.0 119.0333 16000.0 179.056 6900.0 192.6533 2500.0 END IONS BEGIN IONS SCANS=825 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 57.9623 3900.0 58.9087 4000.0 70.6676 4700.0 76.2304 4000.0 76.7125 4800.0 80.7265 4400.0 87.1068 4100.0 96.8875 7700.0 104.0236 14000.0 105.1999 4600.0 END IONS BEGIN IONS SCANS=826 PEPMASS=84.9998 CHARGE=-1 COLLISION_ENERGY=0.0 51.803 28000.0 53.7055 29000.0 55.1936 27000.0 57.2028 26000.0 57.992 540000.0 60.4521 34000.0 68.0005 36000.0 85.0028 10000000.0 88.8821 30000.0 96.8886 38000.0 END IONS BEGIN IONS SCANS=827 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 56.4743 5000.0 57.992 12000.0 76.7275 5100.0 84.9921 22000.0 84.9946 9900.0 85.0029 3100000.0 85.0135 20000.0 85.0196 7100.0 89.141 4400.0 96.8905 11000.0 102.8761 4800.0 130.8872 4900.0 197.6515 4600.0 END IONS BEGIN IONS SCANS=828 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 330000.0 66.2318 19000.0 74.5405 24000.0 85.0028 6200000.0 85.0133 40000.0 96.888 30000.0 END IONS BEGIN IONS SCANS=829 PEPMASS=211.0076 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 13000.0 75.4662 1900.0 85.0027 230000.0 96.8906 3000.0 103.0132 5200.0 110.3717 2300.0 160.5958 2200.0 207.9493 2200.0 END IONS BEGIN IONS SCANS=830 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9923 9100.0 58.1629 4000.0 60.4494 4500.0 63.8045 4000.0 84.9921 21000.0 84.9945 13000.0 85.0028 3100000.0 85.0134 21000.0 85.0291 4500.0 96.8892 4100.0 147.2333 4400.0 151.7933 4100.0 168.2564 5400.0 193.0857 8400.0 202.2379 4400.0 END IONS BEGIN IONS SCANS=831 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.001 25000.0 51.9002 28000.0 55.3331 26000.0 57.992 450000.0 58.3044 27000.0 68.0 35000.0 84.3863 27000.0 85.0027 8400000.0 85.0134 41000.0 96.8871 32000.0 END IONS BEGIN IONS SCANS=832 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.5089 3500.0 51.8063 3700.0 60.1323 3900.0 96.7626 4100.0 104.0235 8700.0 END IONS BEGIN IONS SCANS=833 PEPMASS=104.027 CHARGE=-1 COLLISION_ENERGY=0.0 51.5243 4100.0 58.8632 3700.0 64.0052 5300.0 96.8911 3800.0 100.5265 3900.0 104.0234 11000.0 105.4562 4000.0 121.6458 3900.0 122.5234 3700.0 END IONS BEGIN IONS SCANS=834 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 50.1254 3700.0 51.188 4100.0 74.9012 3900.0 83.4881 3900.0 86.9723 4200.0 88.2523 4200.0 89.8375 3900.0 96.8876 4900.0 101.0193 4400.0 104.0244 4700.0 END IONS BEGIN IONS SCANS=835 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.5128 3100.0 59.0125 12000.0 61.1329 2100.0 74.2997 2400.0 85.0027 300000.0 94.5668 2200.0 96.8885 3500.0 103.0131 12000.0 106.5465 2400.0 118.7687 2000.0 147.7342 2000.0 170.9868 2700.0 199.8263 2300.0 END IONS BEGIN IONS SCANS=836 PEPMASS=248.9588 CHARGE=-1 COLLISION_ENERGY=0.0 51.5192 2600.0 52.0346 2200.0 54.8722 2200.0 56.3103 2100.0 62.553 2200.0 66.4023 2100.0 75.3185 2100.0 94.4109 2400.0 96.8895 3500.0 112.984 180000.0 135.4652 2200.0 149.3654 2800.0 185.5237 2400.0 END IONS BEGIN IONS SCANS=837 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 51.5234 30000.0 55.2832 28000.0 57.9921 400000.0 67.9999 32000.0 77.6493 29000.0 85.0028 8900000.0 85.0136 53000.0 96.8882 45000.0 96.903 30000.0 100.0886 30000.0 END IONS BEGIN IONS SCANS=838 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 56.1014 31000.0 57.4043 34000.0 57.9921 610000.0 66.0594 32000.0 67.9998 41000.0 84.9924 63000.0 84.9938 37000.0 85.0028 13000000.0 96.8871 43000.0 END IONS BEGIN IONS SCANS=839 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 56.8577 39000.0 57.9922 530000.0 61.3181 40000.0 64.2411 42000.0 65.0895 43000.0 85.0029 12000000.0 96.8892 54000.0 99.6708 42000.0 END IONS BEGIN IONS SCANS=840 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 51.8277 25000.0 57.992 400000.0 59.9765 25000.0 64.78 23000.0 65.4055 24000.0 68.0005 28000.0 68.3344 29000.0 84.335 27000.0 85.0027 7500000.0 94.9119 30000.0 END IONS BEGIN IONS SCANS=841 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 59.3445 3800.0 64.1523 3400.0 66.1091 3900.0 71.4467 4100.0 75.2008 3900.0 89.5581 3700.0 96.891 4500.0 104.0244 7200.0 116.5304 3800.0 END IONS BEGIN IONS SCANS=842 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 55.161 29000.0 56.3519 30000.0 57.9921 420000.0 61.3404 33000.0 61.4226 29000.0 66.2569 37000.0 68.0001 45000.0 73.1942 42000.0 85.0028 9200000.0 87.737 35000.0 96.8875 95000.0 96.8932 72000.0 103.0257 28000.0 END IONS BEGIN IONS SCANS=843 PEPMASS=359.1188 CHARGE=-1 COLLISION_ENERGY=0.0 51.3142 2400.0 51.5273 2600.0 59.0122 27000.0 60.2297 2600.0 71.0122 23000.0 73.2264 4300.0 78.919 2200.0 85.0278 2900.0 89.0228 28000.0 91.7916 2700.0 96.8906 11000.0 101.0229 15000.0 113.0228 10000.0 119.0336 10000.0 128.9769 2200.0 131.0334 2500.0 151.0597 12000.0 153.6461 2400.0 161.0451 3000.0 171.3092 2400.0 179.0545 13000.0 313.1141 88000.0 END IONS BEGIN IONS SCANS=844 PEPMASS=313.1138 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 76000.0 59.7116 2500.0 71.0123 47000.0 73.028 3000.0 85.0281 9600.0 89.0228 80000.0 95.012 4100.0 96.8877 3500.0 101.0227 37000.0 113.0226 23000.0 119.0328 33000.0 125.8471 2100.0 131.0334 6300.0 140.0773 2100.0 143.0337 9500.0 149.0435 4400.0 151.0597 29000.0 161.0444 9700.0 166.4887 2300.0 176.0247 2500.0 176.2606 2500.0 179.0542 35000.0 313.1143 66000.0 END IONS BEGIN IONS SCANS=845 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 69.0384 3000.0 69.5758 3300.0 70.496 4000.0 96.8132 3400.0 96.8902 5500.0 104.0245 8300.0 110.2514 3500.0 END IONS BEGIN IONS SCANS=846 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.0279 3700.0 65.9468 4200.0 71.974 3800.0 76.3621 3900.0 80.6185 3600.0 86.9579 3900.0 96.8898 6500.0 98.1532 3800.0 104.0238 11000.0 END IONS BEGIN IONS SCANS=847 PEPMASS=112.9843 CHARGE=-1 COLLISION_ENERGY=0.0 50.5846 9900.0 53.2337 12000.0 56.5436 9900.0 57.3298 9700.0 58.6775 9200.0 59.5219 9400.0 60.529 11000.0 66.5777 9500.0 68.9943 19000.0 80.3118 12000.0 84.9892 35000.0 89.3141 10000.0 96.8869 13000.0 112.9981 13000.0 END IONS BEGIN IONS SCANS=848 PEPMASS=248.9589 CHARGE=-1 COLLISION_ENERGY=0.0 51.5428 2600.0 60.4925 2500.0 84.5194 2400.0 96.8867 3000.0 96.8917 4200.0 108.9036 2000.0 112.9839 410000.0 124.5953 2700.0 130.907 2200.0 217.7057 2600.0 227.0032 2300.0 END IONS BEGIN IONS SCANS=849 PEPMASS=180.9706 CHARGE=-1 COLLISION_ENERGY=0.0 51.5242 2000.0 60.9444 2000.0 63.4769 2100.0 64.4928 2200.0 69.0537 2000.0 87.1108 2100.0 87.5915 2100.0 96.8886 3400.0 97.5028 2200.0 112.9839 190000.0 146.3769 2200.0 163.8423 2100.0 166.6379 2400.0 197.065 2200.0 END IONS BEGIN IONS SCANS=850 PEPMASS=316.9479 CHARGE=-1 COLLISION_ENERGY=0.0 58.8539 2700.0 59.5735 2300.0 71.9681 2700.0 81.7464 2300.0 96.889 3100.0 111.0285 2400.0 112.9841 280000.0 112.9939 3900.0 112.9954 3000.0 124.0538 2300.0 140.9859 2500.0 180.9721 24000.0 248.9608 9800.0 256.1161 2500.0 278.5887 3200.0 END IONS BEGIN IONS SCANS=851 PEPMASS=113.9866 CHARGE=-1 COLLISION_ENERGY=0.0 51.8541 2100.0 52.7628 2000.0 53.4171 1700.0 58.7131 2100.0 68.7267 2000.0 72.0078 3100.0 96.8858 2100.0 96.8913 2500.0 98.3481 1700.0 114.0181 4200.0 114.3066 2000.0 118.4524 2300.0 END IONS BEGIN IONS SCANS=852 PEPMASS=112.976 CHARGE=-1 COLLISION_ENERGY=0.0 50.38 1900.0 51.4284 2500.0 55.7657 2200.0 68.9836 3300.0 68.9892 180000.0 68.9946 2800.0 71.007 2800.0 84.9829 8600.0 92.1112 2400.0 92.9876 6200.0 96.8949 2700.0 101.7949 2200.0 112.9759 8500.0 113.9167 3800.0 114.0101 2400.0 END IONS BEGIN IONS SCANS=853 PEPMASS=85.999 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 7000.0 58.9953 4000.0 63.9451 1800.0 67.8787 2300.0 83.5773 2000.0 85.9999 64000.0 86.006 220000.0 92.9515 2200.0 96.8852 3900.0 96.8909 5200.0 END IONS BEGIN IONS SCANS=854 PEPMASS=103.0159 CHARGE=-1 COLLISION_ENERGY=0.0 56.1794 2000.0 58.5212 2100.0 59.0124 110000.0 59.7383 2000.0 66.2669 2000.0 72.0706 2300.0 76.0051 11000.0 78.5829 1800.0 96.8874 2900.0 98.9584 2400.0 103.016 36000.0 103.0285 2600.0 117.9173 3000.0 END IONS BEGIN IONS SCANS=855 PEPMASS=384.9341 CHARGE=-1 COLLISION_ENERGY=0.0 50.783 2100.0 60.7189 2200.0 72.754 5000.0 75.4598 2400.0 96.8893 18000.0 112.9839 120000.0 116.6248 2600.0 134.0468 2700.0 135.6272 2300.0 180.9711 8300.0 239.9759 2500.0 248.9603 16000.0 END IONS BEGIN IONS SCANS=856 PEPMASS=316.9249 CHARGE=-1 COLLISION_ENERGY=0.0 66.8688 2400.0 68.6141 2200.0 70.9177 2200.0 95.9174 2500.0 96.8951 3200.0 108.0219 2200.0 112.9759 520000.0 113.9794 5500.0 114.04 3100.0 150.3099 2400.0 180.9586 27000.0 225.1365 2600.0 248.9426 12000.0 256.9637 3100.0 287.4625 2300.0 316.9608 2800.0 END IONS BEGIN IONS SCANS=857 PEPMASS=248.9421 CHARGE=-1 COLLISION_ENERGY=0.0 84.7717 2200.0 85.6708 2300.0 96.894 5400.0 99.2144 2300.0 111.3958 2700.0 112.9759 450000.0 113.9791 7400.0 116.9856 3700.0 180.9789 2700.0 188.9818 6100.0 208.9881 4100.0 228.974 3500.0 248.9792 6800.0 END IONS BEGIN IONS 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71.9525 27000.0 85.0029 9400000.0 END IONS BEGIN IONS SCANS=863 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 50.5941 15000.0 52.8309 18000.0 57.992 230000.0 61.4935 15000.0 67.6097 16000.0 80.825 15000.0 85.0028 4700000.0 85.0132 33000.0 85.4839 16000.0 85.9474 17000.0 87.0695 19000.0 87.1207 17000.0 96.8898 19000.0 97.9636 15000.0 END IONS BEGIN IONS SCANS=864 PEPMASS=84.9988 CHARGE=-1 COLLISION_ENERGY=0.0 53.7451 27000.0 54.3161 22000.0 54.997 24000.0 57.992 420000.0 61.7208 24000.0 64.0948 22000.0 68.0 27000.0 74.5844 31000.0 84.992 48000.0 85.0028 8200000.0 85.0133 51000.0 96.8896 30000.0 END IONS BEGIN IONS SCANS=865 PEPMASS=85.0062 CHARGE=-1 COLLISION_ENERGY=0.0 50.4667 37000.0 57.9921 490000.0 68.0002 36000.0 82.9913 38000.0 85.0028 10000000.0 85.0135 52000.0 93.5804 42000.0 96.8851 51000.0 96.8906 65000.0 END IONS BEGIN IONS SCANS=866 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 57.2738 5500.0 57.7104 4900.0 61.8619 5200.0 69.5214 6200.0 71.4816 5200.0 77.3251 4900.0 96.8897 8000.0 104.0234 17000.0 110.3187 5200.0 END IONS BEGIN IONS SCANS=867 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.5128 4100.0 51.8327 3900.0 79.8118 3800.0 96.8857 3800.0 96.8912 4200.0 104.0239 11000.0 END IONS BEGIN IONS SCANS=868 PEPMASS=85.0031 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 490000.0 68.0 37000.0 70.145 34000.0 76.5512 37000.0 84.992 74000.0 85.0027 9900000.0 90.3288 36000.0 END IONS BEGIN IONS SCANS=869 PEPMASS=86.0055 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 7000.0 58.9953 4000.0 63.9451 1800.0 67.8787 2300.0 83.5773 2000.0 85.9999 64000.0 86.006 220000.0 92.9515 2200.0 96.8852 3900.0 96.8909 5200.0 END IONS BEGIN IONS SCANS=870 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5398 2300.0 54.6515 2100.0 59.0124 160000.0 76.0049 20000.0 88.0052 2500.0 96.8887 3600.0 102.7137 2600.0 103.0162 47000.0 103.0282 3100.0 109.9517 2200.0 117.9173 4800.0 121.24 2100.0 END IONS BEGIN IONS SCANS=871 PEPMASS=84.9938 CHARGE=-1 COLLISION_ENERGY=0.0 51.5099 50000.0 57.992 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92.5231 2300.0 95.8393 2500.0 96.8894 3700.0 100.23 2100.0 103.441 2700.0 155.358 2600.0 155.9397 2800.0 166.8654 4300.0 183.939 2600.0 184.876 8400.0 201.8341 5000.0 201.88 3200.0 202.8871 4300.0 217.8491 26000.0 219.8002 6500.0 219.8449 1200000.0 220.851 2900.0 237.8562 3500.0 255.8209 45000.0 END IONS BEGIN IONS SCANS=893 PEPMASS=195.8109 CHARGE=-1 COLLISION_ENERGY=0.0 51.5188 9500.0 55.9201 9600.0 91.325 11000.0 93.2694 8800.0 96.8861 13000.0 96.8912 23000.0 110.8722 9700.0 127.5091 11000.0 158.8455 120000.0 160.8412 6900000.0 195.8104 4800000.0 195.8475 26000.0 205.2218 9500.0 212.3021 12000.0 216.7359 9200.0 END IONS BEGIN IONS SCANS=894 PEPMASS=197.8078 CHARGE=-1 COLLISION_ENERGY=0.0 66.1582 12000.0 67.6518 9500.0 70.8301 11000.0 72.4043 8900.0 94.1789 9600.0 95.3303 11000.0 96.8871 22000.0 122.018 9500.0 143.5677 10000.0 160.8406 1800000.0 162.809 26000.0 162.8378 5200000.0 162.866 24000.0 165.9018 12000.0 169.2439 10000.0 197.7692 27000.0 197.8071 5000000.0 END IONS BEGIN IONS 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153.8465 4800.0 153.8676 1400000.0 153.8937 9200.0 154.0256 5800.0 154.8663 3400.0 170.9081 2300.0 END IONS BEGIN IONS SCANS=898 PEPMASS=160.0598 CHARGE=-1 COLLISION_ENERGY=0.0 51.5227 2100.0 60.4555 2500.0 62.8729 2500.0 70.4551 2000.0 75.8074 2300.0 77.9877 2400.0 82.0042 2300.0 89.8643 2100.0 96.0442 9600.0 96.8889 4100.0 98.0592 23000.0 110.2027 2600.0 114.0542 3100.0 116.0345 4400.0 116.07 110000.0 125.8723 3200.0 142.0496 100000.0 155.5362 3100.0 158.8438 3800.0 159.8441 38000.0 159.8594 6800.0 160.024 2800.0 160.0603 94000.0 160.8133 13000.0 160.8412 2300000.0 END IONS BEGIN IONS SCANS=899 PEPMASS=321.0832 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 11000.0 57.1687 2800.0 59.0122 29000.0 63.2409 2800.0 65.0718 2800.0 69.033 26000.0 71.0122 27000.0 72.6816 2500.0 72.9911 2400.0 73.0278 90000.0 76.5414 2700.0 81.0328 2800.0 83.0122 8200.0 85.0278 150000.0 87.0072 670000.0 95.0118 25000.0 96.8891 9900.0 97.0277 110000.0 103.0382 60000.0 111.0072 5500.0 113.0226 48000.0 114.0305 3400.0 115.0019 59000.0 115.0382 12000.0 125.0226 3600.0 129.0175 11000.0 139.0025 3700.0 157.0128 56000.0 175.0231 310000.0 217.0344 120000.0 303.0724 73000.0 321.0846 15000.0 END IONS BEGIN IONS SCANS=900 PEPMASS=173.0547 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 5200.0 58.0286 10000.0 58.7435 2200.0 59.0124 11000.0 62.6225 2500.0 62.9916 2200.0 69.0445 2900.0 71.0124 3900.0 72.0077 3900.0 74.0233 3300.0 83.023 3600.0 83.0599 33000.0 83.7432 2900.0 84.0439 59000.0 85.0279 29000.0 85.0755 83000.0 87.0548 7900.0 93.8668 2600.0 96.8879 2900.0 102.0545 69000.0 109.0389 13000.0 111.0072 130000.0 111.0548 310000.0 128.0337 450000.0 128.8772 3600.0 129.0652 180000.0 129.1017 5900.0 131.081 67000.0 136.8612 8900.0 146.0445 140000.0 154.9462 29000.0 155.0447 38000.0 159.9849 3200.0 172.8291 88000.0 172.8413 110000.0 172.9563 2700.0 173.0555 95000.0 173.0914 78000.0 173.8419 4300.0 END IONS BEGIN IONS SCANS=901 PEPMASS=134.8927 CHARGE=-1 COLLISION_ENERGY=0.0 51.8254 2900.0 53.8543 3000.0 59.0121 16000.0 64.8393 2400.0 65.6375 2500.0 71.0123 15000.0 72.9913 23000.0 73.0166 8500.0 75.0008 3100.0 75.0071 180000.0 89.0229 12000.0 96.8881 5400.0 96.8992 2800.0 96.9679 5000.0 99.9244 41000.0 115.0022 6800.0 117.0062 27000.0 134.8647 150000.0 134.8935 2000000.0 135.0173 8800.0 135.0281 54000.0 135.8932 9200.0 END IONS BEGIN IONS SCANS=902 PEPMASS=136.8899 CHARGE=-1 COLLISION_ENERGY=0.0 51.5261 2000.0 54.564 2100.0 56.4048 2000.0 59.7051 2500.0 65.9969 3000.0 68.157 2100.0 74.9894 2800.0 76.943 2400.0 79.9559 3500.0 91.7615 2300.0 96.8882 3700.0 99.9241 10000.0 110.1919 2400.0 136.8618 48000.0 136.8904 550000.0 137.0331 3000.0 END IONS BEGIN IONS SCANS=903 PEPMASS=217.0293 CHARGE=-1 COLLISION_ENERGY=0.0 51.5275 2400.0 59.0128 2100.0 60.9664 2100.0 62.7734 2100.0 66.6658 2400.0 68.1729 2200.0 71.0122 3500.0 73.986 2900.0 85.0279 3700.0 87.0074 2200.0 87.4169 2500.0 89.0228 3200.0 90.177 2000.0 96.887 3600.0 96.8924 2900.0 96.9583 5400.0 97.0281 8600.0 101.0234 2700.0 109.8063 2300.0 111.007 41000.0 112.0067 2000.0 112.1989 2100.0 129.017 2800.0 164.1543 2500.0 173.9482 2400.0 178.9026 3600.0 217.0141 12000.0 END IONS BEGIN IONS SCANS=904 PEPMASS=209.066 CHARGE=-1 COLLISION_ENERGY=0.0 54.8095 2000.0 57.0333 26000.0 59.0122 17000.0 61.305 2500.0 61.3086 2600.0 68.9964 2800.0 71.0122 17000.0 72.9914 13000.0 73.0278 2800.0 74.2042 3100.0 75.0073 2900.0 83.0122 3500.0 84.0204 2600.0 85.0278 140000.0 85.0338 4000.0 85.035 2100.0 87.0071 37000.0 89.0226 9700.0 92.9262 49000.0 96.888 6100.0 97.0272 3500.0 99.007 5200.0 101.023 2600.0 111.007 8900.0 121.0646 2300.0 127.8682 4300.0 129.0176 61000.0 133.0123 4200.0 141.0176 4400.0 147.0278 4400.0 154.1784 2200.0 154.9457 6100.0 159.0285 14000.0 170.188 2300.0 172.9569 10000.0 181.9721 2500.0 184.7377 2400.0 191.0178 14000.0 209.0295 15000.0 209.0659 130000.0 END IONS BEGIN IONS SCANS=905 PEPMASS=134.0154 CHARGE=-1 COLLISION_ENERGY=0.0 51.5148 2900.0 68.843 2100.0 71.0123 26000.0 72.0156 66000.0 72.9917 9900.0 73.9951 7900.0 75.0076 3500.0 80.9634 2500.0 89.0226 2400.0 90.0259 11000.0 92.0238 4700.0 93.2803 2200.0 97.1096 2200.0 97.5189 2100.0 99.9243 3400.0 107.0241 3100.0 114.1457 2000.0 115.0025 2800.0 115.993 3000.0 116.0054 150000.0 116.0159 3900.0 120.8948 2300.0 134.0161 36000.0 134.0346 8700.0 134.0448 2300.0 134.8641 37000.0 134.8932 210000.0 END IONS BEGIN IONS SCANS=906 PEPMASS=179.054 CHARGE=-1 COLLISION_ENERGY=0.0 53.2247 2000.0 59.0125 24000.0 61.6837 2100.0 63.5296 2000.0 64.9796 2300.0 69.9217 2500.0 71.0123 19000.0 72.9916 6700.0 73.0279 3500.0 75.0072 85000.0 75.3502 2200.0 81.0328 5400.0 85.0278 7800.0 87.0072 5100.0 89.0227 13000.0 96.8886 3700.0 99.0073 4700.0 99.0425 2200.0 101.0235 3500.0 124.9712 2300.0 125.0232 3400.0 143.0333 10000.0 158.286 2200.0 158.4345 2200.0 161.0437 28000.0 178.8335 5000.0 178.8571 18000.0 178.9011 3700.0 179.0549 110000.0 END IONS BEGIN IONS SCANS=907 PEPMASS=215.0323 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 12000.0 71.0122 11000.0 73.9014 2500.0 89.0227 15000.0 94.5896 2400.0 94.9234 10000.0 96.8877 7500.0 96.9201 4600.0 96.9582 4500.0 97.4339 2200.0 99.615 2400.0 99.6926 1900.0 113.0225 3100.0 117.0005 2000.0 156.914 2700.0 178.9006 11000.0 179.0554 5700.0 213.4785 2300.0 215.0112 5300.0 215.0326 11000.0 END IONS BEGIN IONS SCANS=908 PEPMASS=208.934 CHARGE=-1 COLLISION_ENERGY=0.0 54.6943 2400.0 55.0173 3400.0 57.0331 27000.0 58.9946 4100.0 59.0124 24000.0 61.915 2100.0 71.0124 14000.0 72.9913 7100.0 73.0276 2900.0 75.007 2600.0 79.965 2300.0 83.012 6200.0 84.0201 3300.0 85.0278 150000.0 87.007 34000.0 89.0226 7000.0 92.9263 60000.0 96.8902 7800.0 98.941 2800.0 99.007 3700.0 101.0222 3200.0 111.0069 11000.0 115.0383 2600.0 120.8332 2200.0 124.0576 2200.0 127.6929 2200.0 129.0174 70000.0 133.0128 5000.0 141.0174 4400.0 147.0282 2300.0 154.9456 8200.0 159.0276 16000.0 164.7848 2200.0 172.9566 14000.0 191.0188 22000.0 208.9338 3300.0 209.0326 20000.0 209.0656 150000.0 221.1115 3000.0 END IONS BEGIN IONS SCANS=909 PEPMASS=96.958 CHARGE=-1 COLLISION_ENERGY=0.0 52.6621 2300.0 74.0626 3200.0 78.9454 3200.0 78.9577 840000.0 79.9559 110000.0 96.8903 3200.0 96.9205 62000.0 96.9459 15000.0 96.9488 18000.0 96.9589 2500000.0 96.9678 55000.0 96.9679 69000.0 96.9795 4400.0 END IONS BEGIN IONS SCANS=910 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 51.0127 27000.0 57.9921 390000.0 85.0028 8100000.0 96.8899 77000.0 END IONS BEGIN IONS SCANS=911 PEPMASS=92.9264 CHARGE=-1 COLLISION_ENERGY=0.0 54.8472 2100.0 55.9253 2000.0 64.0053 13000.0 65.0079 3100.0 65.0131 190000.0 65.0172 4000.0 65.018 2600.0 65.997 88000.0 66.0163 6000.0 73.7568 2300.0 92.9264 330000.0 92.9953 3600.0 93.0078 400000.0 93.0186 7900.0 93.027 2900.0 96.8886 2900.0 103.7987 2400.0 END IONS BEGIN IONS SCANS=912 PEPMASS=94.9233 CHARGE=-1 COLLISION_ENERGY=0.0 53.436 2400.0 65.9967 8900.0 66.7279 2300.0 68.0125 7600.0 73.2038 2900.0 74.9674 2300.0 77.1295 2100.0 94.9233 350000.0 94.9359 2900.0 94.9795 3100.0 95.0231 7900.0 95.3733 2200.0 96.8913 9300.0 END IONS BEGIN IONS SCANS=913 PEPMASS=96.9674 CHARGE=-1 COLLISION_ENERGY=0.0 50.6822 2300.0 60.6587 2100.0 63.2302 2200.0 68.7143 2400.0 68.8159 3200.0 75.6674 2300.0 78.9576 770000.0 79.9558 92000.0 83.6558 3300.0 89.5361 2600.0 96.8871 4200.0 96.9205 50000.0 96.9418 5300.0 96.9457 14000.0 96.9588 2100000.0 96.9676 58000.0 96.9678 63000.0 96.9916 2300.0 END IONS BEGIN IONS SCANS=914 PEPMASS=135.0278 CHARGE=-1 COLLISION_ENERGY=0.0 51.0518 2300.0 59.0125 13000.0 59.6961 2500.0 71.0121 15000.0 72.9914 21000.0 73.0164 5400.0 75.0071 150000.0 89.0227 12000.0 96.8862 5000.0 96.8916 4300.0 96.9681 5200.0 99.924 36000.0 115.002 3800.0 117.0063 22000.0 117.0175 4300.0 127.0077 2300.0 134.8646 150000.0 134.8935 1500000.0 134.9211 4900.0 135.0172 6200.0 135.0287 43000.0 135.041 3300.0 135.8937 35000.0 143.6833 2600.0 END IONS BEGIN IONS SCANS=915 PEPMASS=103.0161 CHARGE=-1 COLLISION_ENERGY=0.0 51.5469 2200.0 58.2151 2100.0 59.0124 100000.0 71.995 2500.0 76.0052 12000.0 80.3611 2000.0 88.6622 2200.0 103.0162 32000.0 117.4508 2000.0 END IONS BEGIN IONS SCANS=916 PEPMASS=115.0017 CHARGE=-1 COLLISION_ENERGY=0.0 60.3419 1900.0 60.4681 2100.0 66.8972 1900.0 68.8284 1900.0 71.0123 110000.0 73.0392 3100.0 75.7427 2100.0 91.2877 2400.0 96.8893 3200.0 97.9303 2200.0 114.9329 3800.0 115.0021 11000.0 115.029 6500.0 116.0234 3300.0 END IONS BEGIN IONS SCANS=917 PEPMASS=192.0213 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 7200.0 57.8631 2200.0 58.0367 7900.0 59.0127 2300.0 68.0206 3100.0 85.0278 34000.0 86.0313 61000.0 87.0072 81000.0 88.0106 71000.0 96.8883 5900.0 111.0073 80000.0 112.0106 360000.0 129.0182 4500.0 130.0207 17000.0 133.1253 2400.0 148.0315 3300.0 155.9992 2900.0 156.8467 9600.0 174.0114 6600.0 191.8163 3100.0 192.0216 56000.0 192.0773 3600.0 END IONS BEGIN IONS SCANS=918 PEPMASS=133.0131 CHARGE=-1 COLLISION_ENERGY=0.0 53.8517 22000.0 59.0128 37000.0 71.0124 2500000.0 72.9915 450000.0 75.2504 21000.0 87.0074 26000.0 89.0228 260000.0 90.0067 21000.0 115.0021 3900000.0 132.8657 170000.0 132.8995 51000.0 133.0127 840000.0 END IONS BEGIN IONS SCANS=919 PEPMASS=146.0442 CHARGE=-1 COLLISION_ENERGY=0.0 51.5693 2100.0 52.0892 2100.0 57.0333 15000.0 60.992 5000.0 70.0284 38000.0 71.4374 2000.0 72.0439 18000.0 73.05 4200.0 74.0232 290000.0 84.0438 120000.0 96.8901 12000.0 98.023 95000.0 102.0548 8700.0 104.0336 32000.0 116.0337 69000.0 128.0344 4700.0 133.31 2100.0 146.0442 36000.0 END IONS BEGIN IONS SCANS=920 PEPMASS=166.8332 CHARGE=-1 COLLISION_ENERGY=0.0 59.962 2000.0 62.2528 2500.0 76.2353 2300.0 78.9575 9300.0 87.054 2800.0 92.9266 2600.0 96.8904 3500.0 103.0181 2200.0 124.0123 2600.0 135.9716 2500.0 139.3227 2200.0 140.024 7600.0 148.9714 10000.0 166.8337 520000.0 166.9814 12000.0 167.0197 7200.0 167.0349 17000.0 181.914 2100.0 END IONS BEGIN IONS SCANS=921 PEPMASS=191.0195 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 19000.0 52.5268 16000.0 57.0334 270000.0 57.7879 22000.0 58.858 18000.0 67.0176 84000.0 71.964 21000.0 72.9919 19000.0 85.0279 1600000.0 85.0349 22000.0 87.0072 2600000.0 91.0738 18000.0 91.3238 17000.0 96.8894 21000.0 99.4167 16000.0 101.0233 21000.0 111.0074 7500000.0 129.0176 390000.0 130.996 28000.0 133.0139 23000.0 147.028 60000.0 154.9984 32000.0 173.0069 120000.0 191.0193 750000.0 END IONS BEGIN IONS SCANS=922 PEPMASS=116.0331 CHARGE=-1 COLLISION_ENERGY=0.0 52.8327 2300.0 53.6253 2000.0 54.3762 2500.0 61.1354 3000.0 65.013 12000.0 72.0152 2600.0 74.0231 15000.0 89.0129 200000.0 89.0199 4200.0 96.8897 3300.0 98.0232 2100.0 99.2353 2000.0 99.924 6000.0 113.0655 2400.0 115.9191 4200.0 116.0238 190000.0 116.9271 18000.0 133.3727 2300.0 END IONS BEGIN IONS SCANS=923 PEPMASS=255.026 CHARGE=-1 COLLISION_ENERGY=0.0 54.5434 2100.0 59.0124 3700.0 63.4835 2200.0 69.0329 11000.0 71.0124 5500.0 79.4191 2200.0 83.0124 2500.0 85.0277 15000.0 87.007 57000.0 96.8862 2700.0 96.8921 2400.0 97.0275 16000.0 101.0228 2400.0 104.6238 2900.0 111.0072 20000.0 111.0431 5000.0 113.0233 2800.0 121.0281 2400.0 129.018 14000.0 141.0172 14000.0 169.0975 7000.0 198.9519 4300.0 201.0393 20000.0 211.1191 5100.0 218.8505 3500.0 219.0502 170000.0 219.8442 14000.0 END IONS BEGIN IONS SCANS=924 PEPMASS=104.033 CHARGE=-1 COLLISION_ENERGY=0.0 55.9645 2100.0 59.3871 1900.0 60.0159 2500.0 65.3314 2000.0 70.327 2000.0 72.0075 30000.0 74.023 52000.0 96.8854 2900.0 96.8913 3600.0 104.024 6800.0 104.0337 23000.0 117.997 2400.0 END IONS BEGIN IONS SCANS=925 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 55.3213 2100.0 55.6409 2000.0 58.5088 1800.0 64.1747 2100.0 65.9975 2900.0 67.0175 12000.0 96.8896 6100.0 111.0072 41000.0 END IONS BEGIN IONS SCANS=926 PEPMASS=160.8414 CHARGE=-1 COLLISION_ENERGY=0.0 60.4604 6900.0 63.0721 8200.0 66.2115 7500.0 70.3308 7300.0 96.8903 17000.0 101.0893 8300.0 106.6992 9600.0 113.0222 11000.0 116.9273 12000.0 129.199 8700.0 160.8411 5900000.0 END IONS BEGIN IONS SCANS=927 PEPMASS=205.0345 CHARGE=-1 COLLISION_ENERGY=0.0 71.0489 5700.0 81.033 3400.0 82.0944 2400.0 87.0073 3900.0 96.8885 6300.0 98.9381 2600.0 99.0433 68000.0 101.0228 60000.0 111.0068 11000.0 115.0384 36000.0 117.0537 2900.0 125.0092 2700.0 125.0226 240000.0 125.8713 8500.0 133.0468 2500.0 143.0335 46000.0 145.0127 140000.0 145.0289 2300.0 157.8616 5300.0 160.8409 2700.0 186.3408 2400.0 187.0238 95000.0 205.0347 110000.0 END IONS BEGIN IONS SCANS=928 PEPMASS=164.8354 CHARGE=-1 COLLISION_ENERGY=0.0 54.9007 3100.0 57.4239 3200.0 57.6191 3200.0 64.0009 3000.0 75.0073 14000.0 76.3214 2800.0 96.8889 3900.0 96.9585 4600.0 117.9269 4700.0 119.6473 3200.0 121.0278 6900.0 136.295 3300.0 164.807 12000.0 164.836 2300000.0 164.865 13000.0 164.8731 5600.0 165.0386 9400.0 179.3781 3500.0 END IONS BEGIN IONS SCANS=929 PEPMASS=162.8386 CHARGE=-1 COLLISION_ENERGY=0.0 51.0784 8200.0 65.013 92000.0 68.6168 7800.0 80.2517 7800.0 83.0121 17000.0 96.8891 19000.0 101.0225 49000.0 122.1588 7100.0 145.013 13000.0 162.8385 5600000.0 163.0231 28000.0 163.2906 8400.0 176.9099 7300.0 END IONS BEGIN IONS SCANS=930 PEPMASS=355.0662 CHARGE=-1 COLLISION_ENERGY=0.0 55.0175 9700.0 57.0334 65000.0 59.0123 58000.0 62.0075 2500.0 68.9967 3500.0 71.0123 23000.0 72.9913 5000.0 73.0277 25000.0 75.007 5200.0 77.9396 2800.0 83.0121 14000.0 84.0201 7600.0 85.0279 600000.0 87.0072 5100.0 89.0231 6100.0 96.8891 8800.0 99.0073 3200.0 101.0227 19000.0 103.0023 5200.0 111.0071 24000.0 113.023 8200.0 119.0334 3700.0 119.0487 13000.0 129.0177 40000.0 131.0337 3300.0 133.0127 4300.0 147.0283 58000.0 151.06 7300.0 161.0447 6000.0 163.0389 14000.0 173.0082 11000.0 191.0188 170000.0 209.0294 100000.0 250.7979 2700.0 295.1046 7800.0 337.0562 3200.0 355.0686 28000.0 355.126 11000.0 END IONS BEGIN IONS SCANS=931 PEPMASS=172.8406 CHARGE=-1 COLLISION_ENERGY=0.0 51.5395 2200.0 60.5613 2100.0 69.5455 2000.0 85.0279 6600.0 94.1305 2200.0 96.89 3400.0 105.0089 2600.0 111.0067 20000.0 111.0546 6500.0 128.0343 8300.0 129.055 2800.0 129.0652 4500.0 129.1018 2600.0 131.0812 6600.0 138.1944 2600.0 146.0451 3600.0 172.8102 2200.0 172.8293 52000.0 172.8418 360000.0 173.0922 9000.0 177.1542 2500.0 END IONS BEGIN IONS SCANS=932 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 51.0269 36000.0 57.9921 530000.0 68.0 49000.0 85.0029 10000000.0 85.0133 62000.0 96.6917 36000.0 96.8911 64000.0 99.5381 40000.0 END IONS BEGIN IONS SCANS=933 PEPMASS=174.8376 CHARGE=-1 COLLISION_ENERGY=0.0 86.1306 2000.0 87.007 5200.0 96.8895 2700.0 104.8576 2300.0 116.9271 4900.0 146.9598 9000.0 167.0219 1900.0 174.8073 2100.0 174.8101 3900.0 174.8388 330000.0 END IONS BEGIN IONS SCANS=934 PEPMASS=195.8185 CHARGE=-1 COLLISION_ENERGY=0.0 51.7235 7600.0 52.4312 9800.0 59.2392 7600.0 60.0271 8000.0 71.9585 7800.0 85.9525 7900.0 88.3775 8500.0 96.8867 19000.0 96.8926 12000.0 99.2185 7900.0 101.7673 6700.0 141.3265 8700.0 158.8454 61000.0 160.8408 3100000.0 195.8101 2200000.0 END IONS BEGIN IONS SCANS=935 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 55.7647 28000.0 57.9919 370000.0 84.9921 39000.0 85.0027 7200000.0 87.0954 30000.0 93.3206 36000.0 94.5511 25000.0 95.7173 29000.0 96.8856 35000.0 96.891 65000.0 END IONS BEGIN IONS SCANS=936 PEPMASS=195.811 CHARGE=-1 COLLISION_ENERGY=0.0 55.3027 7700.0 60.0345 8700.0 60.4679 8900.0 62.6708 8000.0 96.8883 29000.0 99.9222 8800.0 106.4297 10000.0 158.8453 110000.0 160.8132 43000.0 160.8413 7400000.0 195.8105 4600000.0 195.8476 23000.0 206.8337 8300.0 END IONS BEGIN IONS SCANS=937 PEPMASS=197.8079 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 10000.0 52.8423 8900.0 55.8725 11000.0 69.5862 9600.0 71.9786 11000.0 73.2392 11000.0 81.2489 10000.0 85.0967 12000.0 96.8899 31000.0 137.1314 11000.0 138.0604 11000.0 160.8411 2200000.0 162.8381 6000000.0 170.9573 11000.0 176.9872 11000.0 197.7696 39000.0 197.8074 5900000.0 END IONS BEGIN IONS SCANS=938 PEPMASS=199.8047 CHARGE=-1 COLLISION_ENERGY=0.0 54.1851 4000.0 54.2429 3300.0 70.4552 2900.0 78.1544 3000.0 90.8969 3500.0 96.8918 3900.0 115.9327 3800.0 150.9303 3300.0 162.838 1800000.0 162.8662 9600.0 164.8351 1600000.0 199.8046 2500000.0 199.8433 18000.0 199.8996 4500.0 END IONS BEGIN IONS SCANS=939 PEPMASS=201.8009 CHARGE=-1 COLLISION_ENERGY=0.0 54.8045 2500.0 59.4881 2600.0 60.8754 2600.0 63.0508 2100.0 81.2762 2800.0 92.8116 2300.0 96.8905 2900.0 144.1979 2300.0 164.8346 550000.0 164.8628 3200.0 166.8313 150000.0 184.8746 4200.0 201.8011 550000.0 207.1363 2100.0 219.8448 3800.0 END IONS BEGIN IONS SCANS=940 PEPMASS=207.8358 CHARGE=-1 COLLISION_ENERGY=0.0 51.5219 2500.0 62.0812 2500.0 67.5066 2300.0 80.5007 2200.0 91.6656 2200.0 96.8887 6900.0 107.4377 2000.0 122.8927 2900.0 125.8715 68000.0 127.8553 2500.0 127.8571 3700.0 127.8686 150000.0 157.8616 35000.0 159.8588 61000.0 162.8376 62000.0 163.8456 55000.0 187.6006 2300.0 207.8367 7800.0 END IONS BEGIN IONS SCANS=941 PEPMASS=205.8387 CHARGE=-1 COLLISION_ENERGY=0.0 51.5064 2200.0 54.5408 2300.0 55.5637 2000.0 86.0231 2200.0 93.1604 2100.0 96.8881 3400.0 122.8929 4400.0 123.8761 4600.0 125.8714 240000.0 126.0604 2200.0 157.8614 94000.0 160.8406 72000.0 161.3976 2600.0 161.8483 60000.0 187.0948 2500.0 205.839 11000.0 END IONS BEGIN IONS SCANS=942 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 51.5385 30000.0 52.741 27000.0 53.2937 31000.0 57.9921 410000.0 75.7283 35000.0 85.0028 8800000.0 96.6105 27000.0 96.8877 44000.0 END IONS BEGIN IONS SCANS=943 PEPMASS=259.8142 CHARGE=-1 COLLISION_ENERGY=0.0 53.74 2500.0 88.7539 2500.0 96.8868 3100.0 115.8829 2500.0 127.8683 4400.0 190.4689 2100.0 196.6366 2500.0 203.8302 3000.0 221.8418 440000.0 222.8515 2800.0 223.8389 270000.0 241.8863 2500.0 244.3423 2300.0 259.8158 31000.0 283.9868 2900.0 END IONS BEGIN IONS SCANS=944 PEPMASS=257.8179 CHARGE=-1 COLLISION_ENERGY=0.0 51.5356 2400.0 89.3919 2200.0 96.8865 6400.0 103.9186 5100.0 104.7611 2600.0 122.8924 14000.0 125.871 28000.0 150.9955 2600.0 157.4801 2500.0 157.8614 14000.0 166.8652 2900.0 177.9112 18000.0 184.8757 4900.0 186.872 5400.0 202.8851 2800.0 203.8298 4500.0 219.7996 3300.0 219.8447 560000.0 221.7843 3600.0 221.8418 1200000.0 221.8859 2100.0 221.9013 15000.0 222.8488 3300.0 257.8182 61000.0 END IONS BEGIN IONS SCANS=945 PEPMASS=255.821 CHARGE=-1 COLLISION_ENERGY=0.0 53.3703 2900.0 53.6165 2700.0 54.9607 4100.0 55.3542 2200.0 55.9487 2300.0 58.2327 2400.0 60.3166 2300.0 89.8287 2700.0 93.7747 2500.0 96.8886 5100.0 100.983 2400.0 103.5396 2600.0 118.78 2500.0 166.8656 3500.0 184.875 15000.0 194.7668 3100.0 201.8324 13000.0 201.8773 4400.0 202.8865 6200.0 217.8498 35000.0 219.7877 5700.0 219.8004 15000.0 219.845 2200000.0 219.8807 8900.0 219.8898 15000.0 219.9018 5200.0 220.8517 3800.0 237.8572 7300.0 255.8212 76000.0 END IONS BEGIN IONS SCANS=946 PEPMASS=217.029 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 2400.0 75.5369 2200.0 96.8908 2700.0 98.8447 1900.0 108.1316 2300.0 111.0077 2700.0 129.8386 2200.0 136.4124 2200.0 142.5662 2100.0 209.8715 2200.0 END IONS BEGIN IONS SCANS=947 PEPMASS=215.0324 CHARGE=-1 COLLISION_ENERGY=0.0 60.3978 2300.0 67.4102 2300.0 76.851 2300.0 85.0029 3400.0 89.0231 3200.0 94.9234 2900.0 96.8885 4000.0 106.7415 2500.0 117.6743 2300.0 120.9202 2500.0 124.9217 2000.0 126.0802 2100.0 145.8613 7000.0 163.871 3500.0 178.9015 13000.0 179.696 2200.0 215.009 2100.0 END IONS BEGIN IONS SCANS=948 PEPMASS=225.0606 CHARGE=-1 COLLISION_ENERGY=0.0 55.3683 2000.0 56.0679 2100.0 65.4906 2200.0 70.8535 2000.0 72.7092 2300.0 96.8913 2300.0 104.3022 2200.0 104.8914 2100.0 105.954 2000.0 113.3975 2500.0 122.13 2500.0 161.0441 7300.0 179.0546 22000.0 216.3269 2600.0 225.0607 4600.0 END IONS BEGIN IONS SCANS=949 PEPMASS=112.9839 CHARGE=-1 COLLISION_ENERGY=0.0 55.1555 2000.0 68.9943 33000.0 69.7588 2000.0 72.8896 3200.0 72.8933 2600.0 78.9482 2400.0 84.9891 3300.0 85.0031 4900.0 96.8859 6200.0 96.8922 5800.0 112.9977 19000.0 120.4462 2000.0 123.4139 2400.0 END IONS BEGIN IONS SCANS=950 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9918 6300.0 61.1753 3400.0 80.2024 4200.0 80.5446 3800.0 84.977 3400.0 84.9921 16000.0 84.9941 5900.0 85.0028 2000000.0 96.8859 9900.0 96.8926 9100.0 126.31 3300.0 133.7363 3300.0 145.3969 3100.0 173.6937 3800.0 188.3105 3400.0 193.0865 7000.0 END IONS BEGIN IONS SCANS=951 PEPMASS=211.0076 CHARGE=-1 COLLISION_ENERGY=0.0 56.7184 2400.0 59.0127 6800.0 61.7383 2200.0 66.3737 2300.0 72.982 3400.0 77.596 2100.0 84.91 2100.0 85.0027 190000.0 85.0101 3100.0 96.8886 14000.0 103.0135 4900.0 126.5042 2100.0 156.6938 2500.0 214.6003 2200.0 232.4876 2200.0 END IONS BEGIN IONS SCANS=952 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 500000.0 68.0 32000.0 76.4142 30000.0 85.0028 9600000.0 85.0133 51000.0 96.8892 67000.0 END IONS BEGIN IONS SCANS=953 PEPMASS=377.0867 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 41000.0 67.1939 3700.0 71.0123 31000.0 72.6867 3400.0 74.8591 4100.0 76.2285 3600.0 85.7791 3400.0 89.0227 56000.0 93.9057 3500.0 96.8899 5700.0 101.023 17000.0 113.0228 16000.0 119.033 20000.0 136.284 4000.0 140.6095 4200.0 143.0338 6600.0 143.2677 3300.0 161.0444 4700.0 179.054 27000.0 179.8512 3700.0 197.0218 11000.0 215.0316 60000.0 341.1093 310000.0 352.5343 4300.0 367.79 4100.0 377.0865 490000.0 END IONS 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128.0234 4400.0 128.0332 39000.0 146.0442 210000.0 168.0262 63000.0 220.8393 2700.0 315.0808 37000.0 END IONS BEGIN IONS SCANS=993 PEPMASS=315.081 CHARGE=-1 COLLISION_ENERGY=0.0 61.5859 2100.0 63.7896 2300.0 64.1407 2600.0 69.8214 2200.0 70.8579 2400.0 80.3327 2600.0 96.8852 5100.0 96.8913 7500.0 100.214 2700.0 102.0545 25000.0 105.7967 2200.0 113.1494 2300.0 124.0092 2300.0 128.0332 26000.0 146.0444 160000.0 168.0269 43000.0 195.8963 2600.0 315.0796 18000.0 319.0208 3100.0 END IONS BEGIN IONS SCANS=994 PEPMASS=191.019 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 29000.0 59.0122 3700.0 61.3993 2400.0 67.0176 4400.0 67.0744 2300.0 85.0278 170000.0 87.007 260000.0 96.8901 4400.0 101.0227 5300.0 102.9472 13000.0 111.0071 750000.0 111.023 4900.0 129.0174 42000.0 129.042 2200.0 129.0539 2900.0 130.9969 3400.0 133.0132 2600.0 146.9381 2500.0 147.0283 11000.0 154.9969 5400.0 169.2945 2600.0 173.0071 13000.0 191.0186 90000.0 191.0553 10000.0 END IONS BEGIN IONS SCANS=995 PEPMASS=147.0473 CHARGE=-1 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21000.0 130.9975 2100.0 143.833 2500.0 146.936 2600.0 147.028 3800.0 148.1319 2600.0 154.9974 3600.0 164.6943 2200.0 173.0077 7600.0 190.3054 2600.0 191.0185 53000.0 191.0548 5600.0 205.8198 2500.0 END IONS BEGIN IONS SCANS=999 PEPMASS=128.033 CHARGE=-1 COLLISION_ENERGY=0.0 51.5236 2700.0 57.816 2000.0 64.5639 1900.0 76.0061 2200.0 84.382 2100.0 96.8902 4000.0 102.0498 2000.0 106.0198 2000.0 111.526 1900.0 128.0111 35000.0 128.0333 55000.0 145.7244 2400.0 END IONS BEGIN IONS SCANS=1000 PEPMASS=133.013 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 9500.0 61.4156 9100.0 69.0496 8600.0 71.0068 11000.0 71.0124 870000.0 72.9916 150000.0 87.0071 11000.0 89.0229 89000.0 96.8878 11000.0 115.0021 1400000.0 116.8665 9400.0 132.8667 48000.0 133.0126 320000.0 137.4126 7800.0 END IONS BEGIN IONS SCANS=1001 PEPMASS=115.0016 CHARGE=-1 COLLISION_ENERGY=0.0 50.0611 1900.0 54.0219 2000.0 71.0124 41000.0 73.0389 2900.0 78.7739 2300.0 83.7003 2200.0 110.8302 2200.0 114.9328 7100.0 115.0023 5200.0 115.0287 7100.0 122.0347 2100.0 125.4488 2000.0 END IONS BEGIN IONS SCANS=1002 PEPMASS=145.0601 CHARGE=-1 COLLISION_ENERGY=0.0 51.5257 2600.0 53.1613 2300.0 58.0286 6200.0 74.023 11000.0 82.0281 4800.0 84.044 20000.0 86.0232 3800.0 96.89 3500.0 98.0227 3100.0 99.0543 3200.0 101.0708 8800.0 102.0546 11000.0 107.0236 3000.0 109.0394 15000.0 115.9194 4000.0 125.0338 7100.0 127.0496 42000.0 128.0338 29000.0 141.8813 2200.0 145.0603 36000.0 146.0442 2500.0 161.0093 2500.0 163.0687 2000.0 END IONS BEGIN IONS SCANS=1003 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 470000.0 84.4301 26000.0 85.0028 8500000.0 88.4735 29000.0 96.8902 90000.0 98.2481 26000.0 100.538 27000.0 END IONS BEGIN IONS SCANS=1004 PEPMASS=85.0121 CHARGE=-1 COLLISION_ENERGY=0.0 56.0355 28000.0 57.992 490000.0 64.7332 28000.0 70.9212 25000.0 77.5183 24000.0 85.0028 8700000.0 96.89 36000.0 99.0632 23000.0 END IONS BEGIN IONS SCANS=1005 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 56.7135 35000.0 57.992 560000.0 63.7302 34000.0 72.0778 39000.0 78.3901 32000.0 85.0028 11000000.0 86.5801 32000.0 END IONS BEGIN IONS SCANS=1006 PEPMASS=215.0324 CHARGE=-1 COLLISION_ENERGY=0.0 50.9765 2300.0 51.5114 2100.0 51.5152 2700.0 52.5266 2300.0 55.093 2000.0 89.6222 2100.0 96.8865 5300.0 96.893 4500.0 108.8846 2300.0 115.4124 2300.0 149.3587 2100.0 161.261 2400.0 173.4371 2600.0 188.5882 2300.0 197.2113 2400.0 215.0104 3000.0 215.0325 3400.0 END IONS BEGIN IONS SCANS=1007 PEPMASS=217.0292 CHARGE=-1 COLLISION_ENERGY=0.0 55.1273 2200.0 86.8136 2100.0 88.0386 18000.0 96.8925 3300.0 119.1571 2700.0 128.0341 8400.0 129.1018 6300.0 153.6568 2300.0 155.0817 3800.0 173.0912 11000.0 199.072 10000.0 217.0251 4000.0 217.0832 15000.0 END IONS BEGIN IONS SCANS=1008 PEPMASS=225.0614 CHARGE=-1 COLLISION_ENERGY=0.0 51.2887 2400.0 51.6115 2500.0 58.7544 2400.0 71.9864 2400.0 87.007 11000.0 98.5991 2500.0 117.018 4800.0 125.0227 2600.0 161.0438 20000.0 179.0546 120000.0 225.0616 7000.0 END IONS BEGIN IONS SCANS=1009 PEPMASS=179.0541 CHARGE=-1 COLLISION_ENERGY=0.0 51.5356 2700.0 53.1209 2200.0 54.2258 2000.0 59.0123 20000.0 59.2116 2300.0 65.0845 2400.0 69.0331 3000.0 71.0122 24000.0 73.0278 9500.0 75.0069 39000.0 81.0328 3400.0 83.0122 5600.0 85.0277 22000.0 87.007 89000.0 88.4685 2200.0 89.0224 10000.0 96.8895 3300.0 97.0278 6000.0 99.0068 23000.0 101.0229 12000.0 113.0223 3300.0 117.0175 23000.0 125.0227 18000.0 129.0168 2300.0 141.0183 12000.0 143.0332 4500.0 159.0284 7000.0 161.0441 88000.0 177.0389 3100.0 178.3331 2200.0 179.0547 140000.0 END IONS BEGIN IONS SCANS=1010 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 58.1002 1900.0 59.0124 150000.0 60.257 2000.0 76.005 12000.0 90.3109 2000.0 96.89 2400.0 97.2217 2300.0 101.3159 2100.0 103.0161 32000.0 103.0278 2100.0 103.7028 2000.0 104.6456 2500.0 120.715 2100.0 124.8491 2600.0 END IONS BEGIN IONS SCANS=1011 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 4800.0 70.7062 4000.0 73.4381 3900.0 75.5291 3700.0 84.5452 4000.0 84.9921 17000.0 84.9947 7200.0 85.0029 2300000.0 85.0135 13000.0 96.8913 3800.0 193.0869 8300.0 END IONS BEGIN IONS SCANS=1012 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 55.1943 2300.0 59.0123 12000.0 61.5708 2400.0 85.0027 250000.0 87.2381 2200.0 96.8871 2400.0 103.0133 8100.0 119.5597 2300.0 END IONS BEGIN IONS SCANS=1013 PEPMASS=104.027 CHARGE=-1 COLLISION_ENERGY=0.0 53.9927 4100.0 54.1825 3300.0 60.5009 3500.0 79.0759 3200.0 83.0424 2900.0 84.6289 3300.0 96.8897 12000.0 99.1419 3300.0 104.0239 11000.0 108.9122 3100.0 END IONS BEGIN IONS SCANS=1014 PEPMASS=84.9996 CHARGE=-1 COLLISION_ENERGY=0.0 51.1665 32000.0 57.992 470000.0 63.5565 41000.0 71.9432 41000.0 71.9981 38000.0 85.0028 9600000.0 85.7106 31000.0 94.1012 35000.0 94.2365 31000.0 END IONS BEGIN IONS SCANS=1015 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 50.8006 27000.0 57.992 420000.0 66.9176 26000.0 67.9998 28000.0 85.0028 8400000.0 85.4262 28000.0 96.8909 49000.0 END IONS BEGIN IONS SCANS=1016 PEPMASS=133.012 CHARGE=-1 COLLISION_ENERGY=0.0 61.1577 2000.0 62.7145 2100.0 71.0123 95000.0 72.5311 2500.0 72.9913 17000.0 89.0226 12000.0 96.8865 5000.0 113.0348 2300.0 115.002 140000.0 115.0382 3500.0 116.0227 4600.0 125.7477 2400.0 132.8661 23000.0 133.0126 28000.0 END IONS BEGIN IONS SCANS=1017 PEPMASS=285.0813 CHARGE=-1 COLLISION_ENERGY=0.0 53.8795 2400.0 62.3536 3000.0 70.0282 18000.0 71.0237 10000.0 72.0076 7700.0 77.272 2500.0 89.7462 2600.0 95.0232 34000.0 96.8893 7500.0 104.7318 2500.0 107.095 2800.0 111.0184 17000.0 113.034 300000.0 114.0181 150000.0 131.0245 3900.0 131.0448 880000.0 181.2522 2500.0 196.8203 2600.0 218.8145 2600.0 232.2274 3000.0 267.0716 14000.0 285.0818 85000.0 289.8141 2600.0 291.5155 2400.0 END IONS BEGIN IONS SCANS=1018 PEPMASS=131.0451 CHARGE=-1 COLLISION_ENERGY=0.0 54.0148 11000.0 58.0285 57000.0 63.7478 11000.0 63.752 13000.0 70.0283 570000.0 71.0122 20000.0 71.0235 130000.0 72.0074 190000.0 87.0545 12000.0 95.0232 260000.0 96.8886 26000.0 108.9166 12000.0 111.0188 45000.0 113.0338 630000.0 114.018 1100000.0 131.0442 160000.0 END IONS BEGIN IONS SCANS=1019 PEPMASS=191.019 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 30000.0 59.0126 2600.0 67.0173 6600.0 83.5739 2400.0 85.0279 180000.0 87.0072 270000.0 96.8874 2700.0 101.0229 3900.0 102.9475 6500.0 103.0383 2400.0 111.0073 790000.0 113.0341 3300.0 129.0177 40000.0 129.0537 2700.0 130.9971 2900.0 131.0446 8700.0 147.0284 6100.0 154.997 6500.0 173.0082 14000.0 191.0189 98000.0 191.0551 5100.0 END IONS BEGIN IONS SCANS=1020 PEPMASS=216.0229 CHARGE=-1 COLLISION_ENERGY=0.0 50.3581 2200.0 61.9869 120000.0 61.991 3400.0 64.7097 2000.0 71.4405 2000.0 77.4117 2000.0 96.8882 3200.0 99.2568 2700.0 111.0074 8700.0 113.0342 24000.0 113.8951 2400.0 114.0184 7400.0 131.0446 63000.0 133.824 2400.0 135.7082 2500.0 144.4554 2200.0 198.0131 2800.0 216.0243 6800.0 231.1014 2500.0 END IONS BEGIN IONS SCANS=1021 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 50.978 2300.0 57.0332 27000.0 59.0124 4200.0 67.0174 6700.0 69.8009 2400.0 79.2079 2200.0 85.028 140000.0 85.376 2100.0 87.0072 210000.0 87.0138 3500.0 87.015 2500.0 102.947 5000.0 111.0073 590000.0 114.0175 3200.0 129.0177 31000.0 131.0448 8800.0 147.0285 5400.0 147.5792 2600.0 154.9972 7300.0 173.0081 11000.0 191.0188 64000.0 191.0561 11000.0 END IONS BEGIN IONS SCANS=1022 PEPMASS=114.0176 CHARGE=-1 COLLISION_ENERGY=0.0 52.7238 2100.0 52.932 1800.0 54.4454 1900.0 66.7645 2100.0 66.9122 2100.0 70.0284 61000.0 71.0126 6700.0 71.5458 2600.0 71.6517 2200.0 72.0078 5100.0 77.9888 2700.0 79.6795 2200.0 88.9671 2300.0 96.8928 1900.0 114.011 2200.0 114.0179 13000.0 114.0376 8400.0 END IONS BEGIN IONS SCANS=1023 PEPMASS=113.0337 CHARGE=-1 COLLISION_ENERGY=0.0 51.3355 1900.0 68.9942 45000.0 70.0283 5200.0 71.0808 2200.0 78.466 2300.0 81.6939 2000.0 84.9893 3600.0 85.0028 2200.0 85.0388 2600.0 93.647 2000.0 95.0233 22000.0 96.0073 26000.0 96.8903 6500.0 97.0149 4300.0 100.3567 1800.0 101.7045 2100.0 112.9975 13000.0 113.0341 73000.0 END IONS BEGIN IONS SCANS=1024 PEPMASS=131.0439 CHARGE=-1 COLLISION_ENERGY=0.0 50.988 1900.0 58.0284 3200.0 65.997 3300.0 70.0282 31000.0 71.0236 6900.0 72.0075 11000.0 78.8455 2200.0 81.0136 2100.0 82.8102 2000.0 95.0231 14000.0 95.1941 1900.0 96.8883 3000.0 100.8679 1900.0 111.0183 4200.0 112.2399 2000.0 113.034 36000.0 114.018 68000.0 123.8627 2100.0 131.0346 13000.0 131.0451 12000.0 END IONS BEGIN IONS SCANS=1025 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 67.5281 2300.0 70.7522 1900.0 71.0123 34000.0 73.0392 2600.0 86.8682 2300.0 91.0275 2100.0 94.3998 2100.0 96.2556 1900.0 96.8888 3800.0 98.4351 1800.0 115.0024 4300.0 115.0285 4400.0 END IONS BEGIN IONS SCANS=1026 PEPMASS=132.0473 CHARGE=-1 COLLISION_ENERGY=0.0 51.5066 2100.0 53.6228 2000.0 58.0283 2300.0 70.0284 12000.0 71.0122 7000.0 71.0315 18000.0 72.0076 7900.0 72.0267 3300.0 73.0109 3400.0 96.0212 2500.0 96.0262 12000.0 96.8875 2700.0 102.1911 2200.0 109.8596 2200.0 112.0223 2600.0 114.0182 4200.0 114.0303 4000.0 114.0374 38000.0 115.0018 14000.0 115.0216 59000.0 119.6524 2400.0 129.934 2400.0 132.0486 11000.0 132.8661 5100.0 149.5041 2200.0 END IONS BEGIN IONS SCANS=1027 PEPMASS=133.0129 CHARGE=-1 COLLISION_ENERGY=0.0 54.4674 8300.0 56.8829 7100.0 57.011 7000.0 59.0125 10000.0 60.4647 7700.0 64.1688 8300.0 64.9718 7900.0 71.0124 700000.0 71.0174 16000.0 71.018 8800.0 72.9915 130000.0 83.0525 9200.0 86.8205 7200.0 87.0077 9100.0 89.0227 73000.0 90.0537 6500.0 96.8896 11000.0 105.8692 7600.0 111.9336 7300.0 115.0022 1100000.0 132.8666 22000.0 133.0127 280000.0 END IONS BEGIN IONS SCANS=1028 PEPMASS=193.0051 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 4200.0 79.7057 2600.0 81.1472 2800.0 84.9921 17000.0 84.9942 11000.0 85.0028 2300000.0 85.0113 12000.0 85.0135 14000.0 85.0163 6800.0 94.914 3100.0 96.8863 3300.0 96.8918 4900.0 106.9149 3200.0 152.0359 3200.0 165.9158 2800.0 174.1812 3200.0 189.9406 3500.0 193.0272 2900.0 193.0863 8900.0 213.1932 3300.0 END IONS BEGIN IONS SCANS=1029 PEPMASS=84.9962 CHARGE=-1 COLLISION_ENERGY=0.0 55.6904 15000.0 57.9921 190000.0 68.0002 19000.0 71.1695 16000.0 85.0028 4000000.0 96.8904 24000.0 102.4156 16000.0 END IONS BEGIN IONS SCANS=1030 PEPMASS=199.0345 CHARGE=-1 COLLISION_ENERGY=0.0 56.3076 2200.0 62.9627 140000.0 70.0274 2600.0 71.0233 2600.0 80.9729 38000.0 88.5846 2200.0 90.2585 2700.0 93.0817 2500.0 95.0231 6600.0 96.8883 4100.0 105.3279 2100.0 107.9613 2300.0 111.0181 6600.0 113.0338 70000.0 114.0177 38000.0 131.0443 190000.0 131.4328 2200.0 142.5907 2400.0 149.1181 2300.0 155.2128 2400.0 199.0093 3300.0 199.0136 3900.0 199.0364 230000.0 199.0585 4300.0 199.0636 3000.0 END IONS BEGIN IONS SCANS=1031 PEPMASS=199.0359 CHARGE=-1 COLLISION_ENERGY=0.0 50.7754 2200.0 57.2418 2500.0 62.9628 480000.0 70.0285 3000.0 72.0071 4000.0 76.1173 2400.0 78.9575 5900.0 80.9731 130000.0 95.0234 7200.0 96.8889 5200.0 97.5428 2200.0 111.0187 4000.0 113.0339 73000.0 114.0177 40000.0 131.0444 170000.0 199.0368 550000.0 219.9784 2800.0 END IONS BEGIN IONS SCANS=1032 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 50.4592 3300.0 51.5168 3200.0 64.3905 3000.0 64.6896 3200.0 72.0076 100000.0 74.0231 160000.0 74.2533 3300.0 96.8889 5200.0 104.0245 6500.0 104.0339 68000.0 119.3481 3300.0 123.5764 3500.0 END IONS BEGIN IONS SCANS=1033 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 52.6253 34000.0 57.992 420000.0 68.0001 42000.0 71.5175 30000.0 85.0028 9700000.0 96.8912 38000.0 104.4267 35000.0 END IONS BEGIN IONS SCANS=1034 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 420000.0 68.0 33000.0 73.8229 24000.0 79.3775 22000.0 85.0029 8700000.0 85.0135 53000.0 96.8885 38000.0 END IONS BEGIN IONS SCANS=1035 PEPMASS=103.0157 CHARGE=-1 COLLISION_ENERGY=0.0 54.669 2000.0 59.0124 100000.0 68.9768 2000.0 69.9167 2100.0 71.3515 2200.0 73.5107 2000.0 76.005 16000.0 90.3422 1800.0 96.8869 3300.0 101.5428 2000.0 103.0159 36000.0 END IONS BEGIN IONS SCANS=1036 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 56.7939 16000.0 57.992 270000.0 65.3974 15000.0 72.1391 16000.0 85.0029 4600000.0 END IONS BEGIN IONS SCANS=1037 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.5481 35000.0 57.9921 440000.0 68.0002 39000.0 85.0028 8400000.0 85.0135 62000.0 96.8866 32000.0 END IONS BEGIN IONS SCANS=1038 PEPMASS=193.0051 CHARGE=-1 COLLISION_ENERGY=0.0 52.1013 2600.0 55.6447 2600.0 57.992 4200.0 63.6358 2600.0 71.9695 3300.0 76.3884 2900.0 84.9891 5900.0 84.9921 14000.0 84.9943 12000.0 85.0028 2200000.0 85.0113 12000.0 85.0134 18000.0 90.9319 4200.0 96.888 8100.0 138.6272 3100.0 151.4468 2800.0 193.0862 13000.0 END IONS BEGIN IONS SCANS=1039 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.1953 3000.0 57.9921 9900.0 64.8861 3500.0 68.1511 3100.0 79.3014 3200.0 83.5972 3700.0 84.9922 14000.0 84.9944 10000.0 85.0029 2100000.0 85.0135 13000.0 96.8874 3100.0 133.7155 3100.0 176.076 2900.0 193.0873 9600.0 END IONS BEGIN IONS SCANS=1040 PEPMASS=211.0076 CHARGE=-1 COLLISION_ENERGY=0.0 55.3133 2100.0 59.0124 13000.0 70.868 2200.0 85.0027 230000.0 85.01 2700.0 96.889 3000.0 103.0136 9600.0 127.659 2100.0 143.9596 2100.0 205.0571 2200.0 END IONS BEGIN IONS SCANS=1041 PEPMASS=387.1133 CHARGE=-1 COLLISION_ENERGY=0.0 52.1912 2200.0 53.6291 2600.0 59.0122 17000.0 60.2758 2300.0 64.5856 2400.0 71.0122 19000.0 73.0279 14000.0 76.3107 2200.0 83.0123 2900.0 85.1774 2300.0 89.0225 18000.0 96.8897 3400.0 97.0278 11000.0 101.0223 22000.0 113.0229 9600.0 119.0338 7400.0 143.0344 2800.0 153.6735 2700.0 161.044 30000.0 170.1519 2500.0 179.054 16000.0 216.3987 2800.0 221.066 13000.0 293.647 2500.0 294.8755 2900.0 315.7929 2900.0 336.7549 2700.0 341.1085 15000.0 END IONS BEGIN IONS SCANS=1042 PEPMASS=356.1558 CHARGE=-1 COLLISION_ENERGY=0.0 51.5216 2700.0 72.8806 2900.0 81.764 2200.0 96.8895 15000.0 113.0221 3100.0 161.0442 2700.0 201.5959 3000.0 298.9921 2300.0 305.6807 2400.0 310.1502 31000.0 315.2872 2500.0 328.7332 2500.0 331.932 2400.0 348.5531 2700.0 356.1588 6900.0 END IONS BEGIN IONS SCANS=1043 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 58.3581 4000.0 72.0075 31000.0 74.0229 77000.0 74.1981 5000.0 93.0626 4700.0 94.5041 4400.0 96.8896 6500.0 100.185 5000.0 101.0497 4300.0 104.024 14000.0 104.0333 25000.0 END IONS BEGIN IONS SCANS=1044 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 270000.0 60.5518 19000.0 68.0 31000.0 85.0028 5400000.0 85.0166 23000.0 96.8871 25000.0 100.9109 17000.0 103.1173 18000.0 END IONS BEGIN IONS SCANS=1045 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 510000.0 70.8949 30000.0 84.992 71000.0 85.0028 11000000.0 85.9079 28000.0 88.2738 28000.0 96.8892 54000.0 END IONS BEGIN IONS SCANS=1046 PEPMASS=133.0126 CHARGE=-1 COLLISION_ENERGY=0.0 50.5668 3000.0 51.5223 3500.0 57.9387 2900.0 59.0124 4100.0 63.5375 3800.0 71.0124 310000.0 72.9914 57000.0 87.0074 4900.0 89.0229 32000.0 108.2971 2900.0 115.0021 470000.0 132.8667 39000.0 133.0127 100000.0 END IONS BEGIN IONS SCANS=1047 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 13000.0 67.0174 3000.0 67.8209 2100.0 69.1687 2300.0 69.8358 2800.0 85.0277 61000.0 86.7679 2500.0 87.0071 90000.0 88.5782 2100.0 101.023 3500.0 102.9474 12000.0 107.531 2200.0 111.0071 240000.0 117.5181 2500.0 129.0177 15000.0 129.2206 2000.0 131.0535 2500.0 146.9373 3100.0 147.0282 5300.0 170.9873 2700.0 173.0085 3800.0 191.019 31000.0 191.0361 4400.0 191.0539 4800.0 191.877 2300.0 END IONS BEGIN IONS SCANS=1048 PEPMASS=201.0877 CHARGE=-1 COLLISION_ENERGY=0.0 58.0282 5400.0 66.0332 8200.0 68.0491 12000.0 70.0283 5200.0 83.1708 2800.0 84.0438 27000.0 85.0023 3700.0 88.0384 8100.0 101.0704 280000.0 101.0789 4900.0 112.075 5100.0 121.0756 4500.0 123.0185 5500.0 128.0341 3900.0 129.065 260000.0 130.0491 110000.0 131.7135 3200.0 133.0125 4700.0 137.0706 10000.0 139.086 260000.0 139.0992 5300.0 139.1015 3800.0 159.4491 3100.0 174.0294 6000.0 200.9981 3500.0 201.0872 290000.0 END IONS BEGIN IONS SCANS=1049 PEPMASS=201.0866 CHARGE=-1 COLLISION_ENERGY=0.0 52.767 1900.0 52.832 2300.0 68.049 3800.0 76.7953 2400.0 84.044 8300.0 85.0028 6200.0 88.0389 3100.0 96.8851 2500.0 96.8908 3300.0 101.0702 87000.0 104.0388 2300.0 119.1847 1900.0 121.0755 1900.0 123.0184 7700.0 127.7522 2300.0 129.0652 72000.0 130.0489 32000.0 133.0128 5000.0 137.0702 2500.0 139.0862 68000.0 147.9218 2400.0 174.0301 5200.0 189.2501 2800.0 201.087 69000.0 END IONS BEGIN IONS SCANS=1050 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5712 2200.0 59.0124 130000.0 62.1271 1800.0 69.2086 2000.0 72.9229 3200.0 76.005 18000.0 88.0055 2600.0 89.3658 2100.0 96.8896 13000.0 103.0159 46000.0 103.0271 2800.0 104.3932 2100.0 115.9203 2300.0 END IONS BEGIN IONS SCANS=1051 PEPMASS=84.9947 CHARGE=-1 COLLISION_ENERGY=0.0 53.342 32000.0 57.5593 40000.0 57.9921 460000.0 80.3384 36000.0 83.4492 32000.0 83.9275 36000.0 85.0029 9400000.0 85.0135 44000.0 87.3777 41000.0 96.8906 59000.0 101.4456 33000.0 104.494 32000.0 END IONS BEGIN IONS SCANS=1052 PEPMASS=84.9937 CHARGE=-1 COLLISION_ENERGY=0.0 51.5145 35000.0 53.2913 29000.0 57.9921 450000.0 60.8312 34000.0 69.1119 29000.0 83.9955 30000.0 85.0029 8400000.0 95.1911 36000.0 96.8888 45000.0 99.0538 30000.0 102.8565 36000.0 END IONS BEGIN IONS SCANS=1053 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 56.6654 33000.0 57.9921 540000.0 85.0028 11000000.0 85.2401 33000.0 88.6835 40000.0 96.889 36000.0 END IONS BEGIN IONS SCANS=1054 PEPMASS=85.0082 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 460000.0 67.9993 25000.0 84.4901 28000.0 85.0027 9300000.0 85.0135 66000.0 94.5759 30000.0 95.2919 29000.0 96.8901 40000.0 103.6597 28000.0 END IONS BEGIN IONS SCANS=1055 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 53.551 3100.0 73.3422 3700.0 74.023 4300.0 89.5074 3300.0 91.7533 3500.0 96.887 3800.0 104.024 7400.0 109.6415 3200.0 END IONS BEGIN IONS SCANS=1056 PEPMASS=104.0313 CHARGE=-1 COLLISION_ENERGY=0.0 50.0427 2600.0 50.4535 2600.0 50.9952 2800.0 51.7713 2800.0 51.894 2700.0 52.093 2500.0 52.4576 2800.0 52.5007 3000.0 53.6884 2500.0 54.3399 2700.0 55.0764 2900.0 55.3371 2400.0 55.7733 2600.0 56.1491 3500.0 57.245 2700.0 58.2895 3200.0 58.4675 3000.0 58.5316 2600.0 58.7085 2500.0 58.7186 3000.0 59.3009 2600.0 60.0165 2500.0 60.2834 3000.0 61.197 2900.0 61.484 2600.0 61.6252 3100.0 62.6943 2400.0 63.0401 2800.0 63.3193 2500.0 63.4947 3100.0 64.0054 3400.0 64.2656 2800.0 64.4261 2700.0 64.5285 2100.0 65.0825 3000.0 65.1651 2600.0 65.8795 2900.0 66.4318 2300.0 66.5161 2700.0 66.6865 2900.0 66.7021 2500.0 66.9448 2700.0 69.3671 2500.0 69.6526 3300.0 69.7576 2900.0 72.1962 3100.0 74.2629 3100.0 74.6757 3300.0 75.7571 2900.0 76.3288 2900.0 77.1469 3300.0 77.8116 2900.0 78.3408 2900.0 79.5376 3100.0 79.5861 3400.0 81.5967 2600.0 81.6989 2700.0 83.3188 3100.0 85.5789 2600.0 92.7099 3000.0 93.9985 3000.0 96.8864 2900.0 98.3365 3300.0 99.2029 3200.0 100.1492 3100.0 100.1785 2900.0 100.3517 3400.0 100.7199 3200.0 103.473 2800.0 104.0244 6400.0 105.7854 2800.0 107.1155 2700.0 107.4771 2800.0 109.1618 2500.0 110.1083 3000.0 115.4777 2800.0 116.1932 2800.0 117.2279 2800.0 118.8697 2500.0 119.8947 2900.0 121.0725 2600.0 121.4816 2700.0 122.4177 3500.0 123.1663 3000.0 END IONS BEGIN IONS SCANS=1057 PEPMASS=84.9997 CHARGE=-1 COLLISION_ENERGY=0.0 55.191 31000.0 57.9921 370000.0 59.6902 28000.0 63.1783 28000.0 68.0002 49000.0 85.0028 8600000.0 85.0132 37000.0 94.3838 26000.0 104.1525 26000.0 END IONS BEGIN IONS SCANS=1058 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 52.7911 2200.0 59.0126 10000.0 85.0027 300000.0 96.8889 4200.0 103.0134 11000.0 143.6324 2400.0 208.1892 2400.0 END IONS BEGIN IONS SCANS=1059 PEPMASS=112.9841 CHARGE=-1 COLLISION_ENERGY=0.0 51.5192 3600.0 53.5389 2300.0 62.4285 2000.0 63.9668 1800.0 68.9942 42000.0 70.0284 7000.0 85.0024 6100.0 85.9979 3000.0 88.1429 2100.0 95.0234 29000.0 96.0074 26000.0 97.0151 3000.0 112.9977 15000.0 113.0341 99000.0 END IONS BEGIN IONS SCANS=1060 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 53.525 2900.0 57.992 9800.0 60.4537 3800.0 66.1138 3800.0 71.9063 3400.0 73.9872 5000.0 84.1308 3200.0 84.9922 17000.0 84.9944 15000.0 85.0029 2700000.0 85.0135 21000.0 91.9259 3200.0 96.8868 8400.0 103.3306 3500.0 184.7052 3100.0 193.0859 9900.0 END IONS BEGIN IONS SCANS=1061 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 50.3558 3100.0 59.9584 3500.0 96.8882 5100.0 98.1522 3200.0 104.0237 7700.0 109.7225 3400.0 END IONS BEGIN IONS SCANS=1062 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 60.4631 4300.0 104.0234 8400.0 END IONS BEGIN IONS SCANS=1063 PEPMASS=193.005 CHARGE=-1 COLLISION_ENERGY=0.0 50.8153 3700.0 54.9136 3000.0 57.9921 5800.0 64.5265 3100.0 78.0355 3000.0 84.9922 17000.0 84.9946 14000.0 85.0029 2600000.0 85.0135 15000.0 89.0268 3200.0 89.4938 3000.0 96.8915 3500.0 108.1852 3100.0 116.3371 2800.0 192.9983 3900.0 193.0866 13000.0 204.3307 3400.0 END IONS BEGIN IONS SCANS=1064 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.859 33000.0 51.5377 31000.0 57.9919 460000.0 67.9997 45000.0 76.6441 27000.0 81.679 28000.0 85.0027 8500000.0 96.8891 50000.0 END IONS BEGIN IONS SCANS=1065 PEPMASS=269.0861 CHARGE=-1 COLLISION_ENERGY=0.0 51.5371 2300.0 59.0123 51000.0 59.071 2000.0 71.0122 32000.0 71.6473 2100.0 85.0282 4600.0 88.6547 2900.0 89.0226 56000.0 96.8885 2900.0 101.0227 33000.0 101.7218 2300.0 106.3287 2600.0 109.7526 2200.0 113.0224 12000.0 119.0332 19000.0 122.1681 2200.0 125.7725 2200.0 131.0332 8400.0 139.1836 2800.0 149.0443 8600.0 179.0549 6800.0 180.049 2800.0 289.6389 2700.0 END IONS BEGIN IONS SCANS=1066 PEPMASS=335.0593 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 2400.0 59.0126 8300.0 70.4283 2300.0 71.0124 15000.0 72.3647 2300.0 75.0075 9400.0 85.0278 16000.0 85.3025 2400.0 87.0072 8300.0 89.0234 4600.0 95.0124 3700.0 96.8904 3300.0 99.0072 5000.0 103.0021 3100.0 113.0228 47000.0 133.0123 2900.0 207.0496 3600.0 249.0607 4300.0 258.4297 2400.0 259.0893 2500.0 267.0295 3300.0 267.0717 220000.0 289.0547 24000.0 327.0394 2700.0 333.2028 2500.0 335.0602 30000.0 END IONS BEGIN IONS SCANS=1067 PEPMASS=267.0717 CHARGE=-1 COLLISION_ENERGY=0.0 53.1607 2400.0 57.0331 7600.0 59.0123 55000.0 71.0123 89000.0 72.9915 5600.0 75.007 43000.0 85.0278 110000.0 85.0354 2800.0 86.7296 2400.0 87.007 39000.0 89.0227 30000.0 91.038 3600.0 95.012 21000.0 96.8859 4900.0 96.8922 5200.0 99.007 27000.0 101.0229 4700.0 103.0019 11000.0 113.0228 230000.0 113.0328 3600.0 113.0339 2900.0 115.0018 4200.0 117.0172 9700.0 123.3155 2600.0 124.1298 2500.0 129.0172 10000.0 131.0329 4100.0 133.874 2700.0 148.4605 2300.0 149.0443 4300.0 157.0115 4500.0 159.5755 2600.0 175.0229 12000.0 205.0705 3900.0 207.0512 13000.0 249.0608 34000.0 267.0714 590000.0 267.1308 3700.0 END IONS BEGIN IONS SCANS=1068 PEPMASS=133.012 CHARGE=-1 COLLISION_ENERGY=0.0 71.0123 70000.0 72.9914 15000.0 75.2918 2000.0 89.0223 10000.0 96.8905 3300.0 115.0021 120000.0 122.8312 2000.0 132.8661 43000.0 133.013 26000.0 133.0406 2300.0 END IONS BEGIN IONS SCANS=1069 PEPMASS=191.0188 CHARGE=-1 COLLISION_ENERGY=0.0 56.046 2500.0 57.0333 110000.0 59.0123 6300.0 67.0172 23000.0 85.0279 730000.0 86.9964 5200.0 86.9985 5200.0 87.0072 1200000.0 90.1218 3500.0 96.8866 3900.0 101.0227 13000.0 102.9471 7100.0 103.0386 8400.0 110.9914 16000.0 110.9948 21000.0 111.0073 3300000.0 111.0235 22000.0 114.6205 3300.0 117.0176 4200.0 121.4828 2700.0 125.5876 2700.0 129.0175 150000.0 129.0537 3600.0 130.9968 11000.0 146.9376 3500.0 147.0278 20000.0 154.9967 25000.0 163.8498 3000.0 170.9863 3000.0 173.0074 43000.0 191.0187 370000.0 191.0543 4800.0 END IONS BEGIN IONS SCANS=1070 PEPMASS=192.021 CHARGE=-1 COLLISION_ENERGY=0.0 55.0769 2700.0 57.033 4000.0 58.0366 3900.0 64.8553 2500.0 73.4413 2300.0 78.5721 2200.0 81.4437 1900.0 83.0135 2000.0 84.8695 2100.0 85.028 17000.0 86.0312 37000.0 87.007 43000.0 88.0104 42000.0 96.8868 2900.0 103.9262 2100.0 111.0072 45000.0 112.0105 210000.0 112.0978 2200.0 114.2131 2200.0 122.2802 2700.0 129.0177 2900.0 130.0213 8600.0 155.9996 2900.0 156.1115 2500.0 174.0117 6800.0 192.021 28000.0 END IONS BEGIN IONS SCANS=1071 PEPMASS=205.0343 CHARGE=-1 COLLISION_ENERGY=0.0 51.5135 2300.0 52.9226 2100.0 57.0331 2900.0 71.0487 4400.0 71.2242 2200.0 81.0331 3100.0 86.0541 2000.0 89.5556 2100.0 90.7664 2400.0 92.0842 2300.0 96.8912 2900.0 99.0432 46000.0 101.0227 45000.0 115.0386 25000.0 125.0225 150000.0 143.0339 29000.0 145.0126 88000.0 187.0236 54000.0 189.3795 2200.0 205.0345 75000.0 END IONS BEGIN IONS SCANS=1072 PEPMASS=175.0465 CHARGE=-1 COLLISION_ENERGY=0.0 51.8449 2400.0 52.7115 2400.0 70.1988 2700.0 71.0237 4500.0 71.8832 2500.0 72.0076 190000.0 72.013 4500.0 72.8781 2200.0 87.0071 3400.0 89.0227 9400.0 89.0342 1700000.0 89.0383 37000.0 89.0428 7300.0 89.0457 14000.0 92.417 2500.0 115.0133 82000.0 118.0052 2200.0 118.9646 5100.0 124.9811 2700.0 129.7 3100.0 132.0398 370000.0 146.9593 22000.0 156.9398 3300.0 162.6408 2500.0 163.1821 3000.0 END IONS BEGIN IONS SCANS=1073 PEPMASS=443.1238 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 4100.0 68.7974 2500.0 71.0123 6400.0 72.0076 9600.0 74.0657 3000.0 83.9796 2700.0 85.028 8700.0 87.0069 4800.0 87.2634 3000.0 88.7484 2600.0 89.0338 52000.0 96.8899 4100.0 97.7715 2300.0 113.0225 21000.0 115.0135 3000.0 132.0398 69000.0 175.0455 34000.0 179.064 2600.0 267.0715 140000.0 END IONS BEGIN IONS SCANS=1074 PEPMASS=133.0126 CHARGE=-1 COLLISION_ENERGY=0.0 62.3442 7600.0 65.6141 7400.0 71.0123 740000.0 71.0177 10000.0 72.9912 100000.0 81.2254 7000.0 87.0069 7800.0 89.0226 78000.0 96.8882 12000.0 115.002 1100000.0 132.8659 38000.0 133.0125 230000.0 END IONS BEGIN IONS SCANS=1075 PEPMASS=351.1013 CHARGE=-1 COLLISION_ENERGY=0.0 64.7675 2500.0 68.5647 2500.0 72.0074 25000.0 89.034 250000.0 89.0406 5100.0 89.0418 3200.0 109.331 2700.0 115.013 23000.0 119.1837 2600.0 132.0397 260000.0 150.2544 2600.0 158.019 3000.0 175.0458 150000.0 300.503 2500.0 END IONS BEGIN IONS SCANS=1076 PEPMASS=267.0707 CHARGE=-1 COLLISION_ENERGY=0.0 50.3344 2500.0 57.0331 4400.0 59.0122 27000.0 71.0122 45000.0 72.9918 2500.0 75.007 21000.0 85.0278 56000.0 87.007 20000.0 87.089 2500.0 89.0225 18000.0 91.038 2200.0 95.0119 12000.0 96.8882 3600.0 99.0066 13000.0 101.0229 2900.0 103.0017 7100.0 106.7391 2700.0 113.0227 96000.0 115.002 4200.0 117.0174 7400.0 129.0167 5200.0 157.0107 2600.0 207.0493 3400.0 249.0607 11000.0 267.0714 200000.0 267.1128 3300.0 END IONS BEGIN IONS SCANS=1077 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 65.9968 3900.0 66.3074 2000.0 67.0173 12000.0 67.5347 2000.0 72.7605 4400.0 79.9129 2000.0 82.2832 1900.0 91.001 2200.0 96.89 14000.0 111.0069 24000.0 111.0181 2200.0 END IONS BEGIN IONS SCANS=1078 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 54.035 2000.0 62.6509 2100.0 68.3737 2400.0 71.0123 26000.0 71.0487 2700.0 72.0073 3400.0 73.0396 3000.0 74.1151 2000.0 86.0368 2100.0 88.0332 2500.0 89.013 2400.0 91.1273 1800.0 96.8884 3200.0 104.1961 2100.0 114.9326 2300.0 115.0025 4000.0 115.0292 4400.0 END IONS BEGIN IONS SCANS=1079 PEPMASS=132.0395 CHARGE=-1 COLLISION_ENERGY=0.0 52.1151 2200.0 66.172 2200.0 71.0122 2400.0 71.9983 2300.0 72.0075 130000.0 89.034 420000.0 115.0022 4900.0 115.0131 2500.0 132.8655 10000.0 146.9914 2300.0 END IONS BEGIN IONS SCANS=1080 PEPMASS=89.0336 CHARGE=-1 COLLISION_ENERGY=0.0 62.0022 3100.0 72.0017 2300.0 72.0026 3000.0 72.0075 210000.0 73.0515 2400.0 89.0127 48000.0 89.023 7800.0 89.0339 42000.0 94.8422 2000.0 96.8857 6300.0 96.8922 3600.0 END IONS BEGIN IONS SCANS=1081 PEPMASS=175.0453 CHARGE=-1 COLLISION_ENERGY=0.0 59.0235 2800.0 59.2113 2100.0 61.2441 2300.0 69.3225 2400.0 69.5202 2500.0 71.0237 4100.0 72.0074 150000.0 89.0228 8300.0 89.0341 1400000.0 89.0457 9100.0 90.8226 2300.0 114.1562 2300.0 115.013 73000.0 117.9627 2300.0 118.9641 2000.0 132.0397 320000.0 146.9595 18000.0 174.9542 2600.0 175.381 2800.0 188.2282 2700.0 END IONS BEGIN IONS SCANS=1082 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 210000.0 62.2093 14000.0 85.0029 4200000.0 96.8861 33000.0 96.8919 37000.0 END IONS BEGIN IONS SCANS=1083 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 51.5342 29000.0 57.992 450000.0 69.8049 28000.0 84.461 30000.0 85.0027 9100000.0 88.9933 27000.0 93.9345 27000.0 96.888 39000.0 END IONS BEGIN IONS SCANS=1084 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 53.3398 28000.0 57.1498 24000.0 57.9922 490000.0 68.0 48000.0 85.0029 9600000.0 96.8868 40000.0 END IONS BEGIN IONS SCANS=1085 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 55.6257 5100.0 56.6622 4400.0 58.3264 5300.0 60.0156 8000.0 62.0725 5400.0 62.3389 4800.0 63.4453 4800.0 63.8995 5200.0 66.6324 4400.0 74.0235 6000.0 74.1526 4600.0 75.5876 4500.0 82.4654 4900.0 96.8908 9000.0 104.024 7900.0 116.0605 5400.0 END IONS BEGIN IONS SCANS=1086 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 59.4678 2900.0 59.6222 3000.0 62.5027 3000.0 63.4964 3300.0 67.5607 3000.0 73.1012 3400.0 74.4178 3000.0 96.8892 6800.0 99.9357 3100.0 104.0234 5100.0 END IONS BEGIN IONS SCANS=1087 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 52.8748 2200.0 59.0126 7200.0 61.1397 1900.0 61.6823 1900.0 71.3131 2500.0 79.3567 2100.0 85.0028 200000.0 95.8351 2200.0 96.8917 2400.0 103.0138 6200.0 172.6291 2300.0 END IONS BEGIN IONS SCANS=1088 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 52.6886 27000.0 55.6007 24000.0 57.2006 31000.0 57.992 480000.0 66.642 29000.0 85.0028 9600000.0 88.4276 25000.0 96.8852 33000.0 96.8913 35000.0 100.1939 28000.0 END IONS BEGIN IONS SCANS=1089 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.6397 3200.0 57.9918 4900.0 84.9922 13000.0 84.9945 14000.0 85.0029 2300000.0 85.0134 13000.0 96.8903 7100.0 192.9955 3000.0 193.0865 5800.0 205.906 3100.0 END IONS BEGIN IONS SCANS=1090 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 53.2797 2100.0 53.9865 2000.0 58.9761 2100.0 59.0079 2600.0 59.0125 160000.0 70.6754 2500.0 76.0049 14000.0 78.5144 2200.0 83.7462 2000.0 85.0646 2400.0 88.0051 2400.0 96.8873 2000.0 99.3945 2200.0 103.016 39000.0 103.0279 3300.0 103.0389 2300.0 END IONS BEGIN IONS SCANS=1091 PEPMASS=193.0047 CHARGE=-1 COLLISION_ENERGY=0.0 51.5254 3300.0 57.9921 6900.0 61.0774 3000.0 64.3578 3000.0 75.1596 3000.0 84.9891 4300.0 84.9921 13000.0 84.9942 8600.0 85.0027 1900000.0 96.8917 2900.0 129.6252 2600.0 134.7213 2800.0 150.9782 2900.0 192.9954 4200.0 193.0857 5800.0 206.9755 2600.0 END IONS BEGIN IONS SCANS=1092 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 60.172 34000.0 85.0029 11000000.0 END IONS BEGIN IONS SCANS=1093 PEPMASS=132.0278 CHARGE=-1 COLLISION_ENERGY=0.0 54.5217 2100.0 60.4623 2200.0 62.1168 2000.0 62.8495 2100.0 63.5614 2400.0 71.0122 17000.0 72.0076 2500.0 83.4436 2200.0 88.0388 120000.0 92.3759 2100.0 96.8909 2900.0 100.6971 2000.0 107.5901 2100.0 114.0182 3800.0 115.0018 32000.0 124.2887 2000.0 132.0287 29000.0 132.8661 14000.0 146.8613 2400.0 END IONS BEGIN IONS SCANS=1094 PEPMASS=133.0125 CHARGE=-1 COLLISION_ENERGY=0.0 56.1771 2000.0 56.6635 2000.0 71.0123 90000.0 72.9914 16000.0 76.4543 2100.0 88.0383 2200.0 89.0226 11000.0 89.0424 2800.0 102.9502 2000.0 115.0021 150000.0 118.5066 2200.0 132.8666 44000.0 133.0127 38000.0 END IONS BEGIN IONS SCANS=1095 PEPMASS=214.048 CHARGE=-1 COLLISION_ENERGY=0.0 68.2366 2100.0 78.9576 210000.0 88.1587 2100.0 90.3771 2200.0 96.8895 3900.0 96.9686 2400.0 97.6153 2500.0 140.0105 280000.0 152.9945 71000.0 171.0045 4200.0 214.048 240000.0 219.5598 2000.0 END IONS BEGIN IONS SCANS=1096 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 520000.0 68.0003 80000.0 85.0028 10000000.0 85.0134 59000.0 86.2036 33000.0 102.4756 31000.0 END IONS BEGIN IONS SCANS=1097 PEPMASS=195.0497 CHARGE=-1 COLLISION_ENERGY=0.0 51.0341 1900.0 55.3847 2500.0 57.0332 5600.0 59.0123 23000.0 62.7564 2100.0 71.0123 12000.0 72.9916 3400.0 75.0071 130000.0 79.988 2100.0 83.2738 2500.0 85.0029 6500.0 85.0279 17000.0 87.007 20000.0 89.0227 11000.0 96.8876 6400.0 99.007 16000.0 101.0234 3800.0 111.0071 6700.0 126.4439 2400.0 129.0177 58000.0 130.9915 5100.0 141.0176 7900.0 159.0282 27000.0 177.0395 8600.0 194.9042 2800.0 195.05 160000.0 212.6842 2100.0 END IONS BEGIN IONS SCANS=1098 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5385 4700.0 55.1769 5400.0 56.7616 5000.0 60.6392 7200.0 96.8868 5200.0 96.8921 6000.0 104.0236 14000.0 104.7061 5100.0 115.2459 5900.0 END IONS BEGIN IONS SCANS=1099 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.6891 24000.0 57.992 430000.0 80.3379 22000.0 80.422 21000.0 85.0028 8200000.0 85.0133 47000.0 96.8905 31000.0 104.5518 25000.0 END IONS BEGIN IONS SCANS=1100 PEPMASS=337.0779 CHARGE=-1 COLLISION_ENERGY=0.0 52.2558 3000.0 53.8852 2400.0 68.9965 3200.0 71.0122 4800.0 73.0277 2700.0 82.7988 2300.0 83.0123 3100.0 85.0279 16000.0 87.0071 2800.0 96.8901 2900.0 99.0071 12000.0 106.9517 2100.0 111.0077 3400.0 113.0226 19000.0 113.9943 31000.0 115.0021 19000.0 127.0023 7100.0 129.0175 7500.0 151.235 2100.0 157.0134 12000.0 169.0126 3900.0 174.0155 49000.0 227.848 2600.0 277.0563 64000.0 337.0782 340000.0 END IONS BEGIN IONS SCANS=1101 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.5533 3600.0 60.0156 4500.0 71.0456 3900.0 71.9807 6200.0 77.5939 4100.0 80.3386 3800.0 96.8857 5000.0 96.891 8700.0 104.0242 9600.0 END IONS BEGIN IONS SCANS=1102 PEPMASS=245.0251 CHARGE=-1 COLLISION_ENERGY=0.0 59.1555 2200.0 62.958 140000.0 78.9516 16000.0 80.9623 6200.0 80.9672 250000.0 80.9713 2600.0 80.9723 5500.0 86.9382 2800.0 96.8958 2900.0 128.9852 2600.0 145.6628 2500.0 152.9836 2700.0 180.9753 13000.0 204.9747 12000.0 206.2928 2700.0 216.9758 2900.0 224.9787 6400.0 244.9674 4000.0 244.9858 5700.0 245.025 210000.0 246.0287 8200.0 END IONS BEGIN IONS SCANS=1103 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 6200.0 66.9698 2600.0 73.3303 2700.0 84.9921 14000.0 84.9944 14000.0 85.0028 2200000.0 85.0114 11000.0 85.0134 17000.0 90.933 2800.0 96.8869 6200.0 96.8928 3800.0 99.2729 3100.0 113.0229 2800.0 115.4569 2700.0 131.0331 3600.0 133.4487 2800.0 176.3066 2900.0 193.0875 8200.0 END IONS BEGIN IONS SCANS=1104 PEPMASS=84.9981 CHARGE=-1 COLLISION_ENERGY=0.0 51.4477 14000.0 51.5212 15000.0 57.992 240000.0 65.7016 16000.0 73.1273 27000.0 75.3595 14000.0 84.992 33000.0 85.0027 4700000.0 96.8863 59000.0 96.8929 33000.0 101.9447 14000.0 END IONS BEGIN 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3600.0 193.0863 8400.0 END IONS BEGIN IONS SCANS=1109 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.8403 25000.0 57.9921 450000.0 58.2671 24000.0 65.4606 22000.0 69.2886 28000.0 85.0028 7500000.0 87.103 23000.0 96.8883 25000.0 END IONS BEGIN IONS SCANS=1110 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 10000.0 74.0084 2500.0 85.0027 170000.0 85.0104 2600.0 96.8891 2900.0 103.0132 7100.0 163.5151 2400.0 END IONS BEGIN IONS SCANS=1111 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 7900.0 84.9891 5000.0 84.9922 13000.0 84.9944 12000.0 85.0029 2100000.0 85.0114 13000.0 85.0134 16000.0 96.8862 3200.0 114.0245 2200.0 129.5161 2200.0 168.2135 2300.0 193.0863 8200.0 END IONS BEGIN IONS SCANS=1112 PEPMASS=84.9997 CHARGE=-1 COLLISION_ENERGY=0.0 51.3254 28000.0 57.992 450000.0 64.5998 28000.0 64.8399 28000.0 67.9998 41000.0 81.984 32000.0 85.0028 8700000.0 85.0134 50000.0 96.8908 43000.0 END IONS BEGIN IONS SCANS=1113 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 50.2378 30000.0 57.9921 390000.0 84.9921 70000.0 85.0028 8800000.0 92.4103 26000.0 99.257 32000.0 END IONS BEGIN IONS SCANS=1114 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 60.016 3100.0 63.3364 3300.0 64.0053 3400.0 67.1022 3800.0 79.874 3300.0 96.889 6900.0 104.0237 9500.0 115.7446 3500.0 END IONS BEGIN IONS SCANS=1115 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 62.143 4400.0 71.9917 5200.0 80.651 4000.0 96.8869 6000.0 96.8921 4100.0 97.2172 4100.0 104.0241 9200.0 END IONS BEGIN IONS SCANS=1116 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 54.0475 26000.0 57.3846 24000.0 57.992 440000.0 63.7753 28000.0 71.9644 29000.0 85.0027 8500000.0 85.0134 64000.0 87.1753 25000.0 88.3061 27000.0 96.8882 32000.0 END IONS BEGIN IONS SCANS=1117 PEPMASS=195.0493 CHARGE=-1 COLLISION_ENERGY=0.0 55.0594 2000.0 57.0332 5000.0 59.0122 14000.0 67.0701 2700.0 71.0123 9000.0 72.991 2400.0 75.0071 70000.0 85.0024 3400.0 85.0277 10000.0 87.0069 13000.0 89.0227 5700.0 96.8858 2300.0 99.0074 7300.0 129.0174 37000.0 130.991 8800.0 131.0803 2100.0 136.3141 2200.0 141.017 4400.0 144.3819 2300.0 159.0284 14000.0 177.0385 4900.0 194.9049 4600.0 195.0502 97000.0 END IONS BEGIN IONS SCANS=1118 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 53.5551 3600.0 53.8139 3100.0 65.1349 3700.0 66.6428 3600.0 77.792 3400.0 83.0135 3600.0 96.8884 6400.0 100.9436 3100.0 103.0805 3500.0 104.0236 7600.0 END IONS BEGIN IONS SCANS=1119 PEPMASS=245.043 CHARGE=-1 COLLISION_ENERGY=0.0 55.7776 3900.0 62.9627 130000.0 63.0826 4100.0 64.14 3500.0 75.0193 3600.0 75.1586 4000.0 78.9575 330000.0 80.973 230000.0 85.7779 4100.0 96.8872 5300.0 96.9677 23000.0 150.9783 5800.0 152.9944 810000.0 171.0046 290000.0 245.0424 1200000.0 END IONS BEGIN IONS SCANS=1120 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 51.5368 2300.0 52.1313 1900.0 53.014 1900.0 59.1836 1900.0 71.0123 48000.0 72.9912 9800.0 73.5316 2800.0 78.6609 1800.0 78.7548 2100.0 89.0226 3200.0 96.8915 3800.0 98.2256 2400.0 115.002 68000.0 129.6712 2200.0 132.8663 96000.0 133.0125 16000.0 147.8857 2000.0 END IONS BEGIN IONS SCANS=1121 PEPMASS=245.0419 CHARGE=-1 COLLISION_ENERGY=0.0 62.9629 17000.0 78.9574 95000.0 80.9731 34000.0 96.9675 5100.0 131.4519 2600.0 147.8392 2300.0 150.9788 2800.0 152.9762 3000.0 152.9944 240000.0 153.0094 5100.0 153.0124 3500.0 171.0046 91000.0 203.8705 2500.0 245.0425 290000.0 END IONS BEGIN IONS SCANS=1122 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 53.4027 2300.0 54.2107 2400.0 54.8668 2400.0 57.9921 5200.0 66.3582 2500.0 69.4983 2800.0 77.7437 2700.0 84.9921 16000.0 84.9943 9700.0 85.0028 2100000.0 85.0113 14000.0 85.0134 14000.0 96.8877 5100.0 172.0341 2600.0 175.8672 3100.0 192.9966 2600.0 193.0864 4600.0 END IONS BEGIN IONS SCANS=1123 PEPMASS=102.0079 CHARGE=-1 COLLISION_ENERGY=0.0 50.4842 2300.0 51.5147 2400.0 64.0728 1900.0 75.7411 2000.0 87.6293 2000.0 96.8908 2200.0 102.009 2800.0 111.8484 2300.0 116.9199 3000.0 END IONS BEGIN IONS SCANS=1124 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.2063 28000.0 57.992 460000.0 68.0 37000.0 74.847 28000.0 75.2065 34000.0 85.0028 9800000.0 85.8935 28000.0 86.3228 31000.0 96.8898 41000.0 END IONS BEGIN IONS SCANS=1125 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 440000.0 71.3348 29000.0 79.5828 35000.0 85.0028 8400000.0 96.889 37000.0 END IONS BEGIN IONS SCANS=1126 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.1665 33000.0 57.992 540000.0 63.8385 30000.0 71.4711 35000.0 85.0029 11000000.0 93.6792 29000.0 94.2708 31000.0 96.888 43000.0 END IONS BEGIN IONS SCANS=1127 PEPMASS=193.0049 CHARGE=-1 COLLISION_ENERGY=0.0 51.1516 2500.0 52.4598 2700.0 52.7033 3200.0 57.992 6300.0 84.9921 13000.0 84.9946 11000.0 85.0029 2100000.0 85.0134 15000.0 90.9324 4000.0 96.8892 5700.0 144.0108 3500.0 180.3026 2600.0 193.0874 6100.0 END IONS BEGIN IONS SCANS=1128 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 52.1422 34000.0 57.992 570000.0 62.3874 26000.0 68.0002 44000.0 73.2359 27000.0 85.0029 11000000.0 85.0135 57000.0 85.9513 32000.0 END 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51.4572 2500.0 53.805 2000.0 69.3196 2400.0 80.0592 2000.0 96.8913 3000.0 134.8639 300000.0 END IONS BEGIN IONS SCANS=1138 PEPMASS=132.8653 CHARGE=-1 COLLISION_ENERGY=0.0 51.6011 2100.0 57.1709 2100.0 71.0121 27000.0 72.9915 3900.0 81.8094 2200.0 89.0228 2200.0 96.8887 2700.0 103.366 2300.0 108.9793 2000.0 115.002 52000.0 115.0143 2200.0 123.7297 2000.0 132.8661 260000.0 133.0125 12000.0 134.0569 2200.0 138.5853 2100.0 END IONS BEGIN IONS SCANS=1139 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 53.0117 3400.0 64.9761 4300.0 76.4195 3800.0 86.9734 3700.0 96.8907 3900.0 104.0241 5300.0 END IONS BEGIN IONS SCANS=1140 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5161 2400.0 54.9415 2100.0 59.0124 100000.0 68.4341 2500.0 75.0484 2100.0 76.0051 9000.0 96.891 3900.0 103.0159 17000.0 117.9165 2200.0 END IONS BEGIN IONS SCANS=1141 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 230000.0 59.2112 16000.0 64.3171 13000.0 85.0029 4300000.0 91.4521 15000.0 96.8891 22000.0 98.1244 17000.0 END IONS BEGIN IONS SCANS=1142 PEPMASS=245.0251 CHARGE=-1 COLLISION_ENERGY=0.0 56.0032 2200.0 62.9532 3300.0 62.958 210000.0 65.0262 2600.0 78.9517 40000.0 80.9672 490000.0 87.108 2400.0 89.5183 2300.0 90.6731 2200.0 96.8942 2800.0 99.9168 3200.0 100.185 2500.0 176.9829 3300.0 180.9752 11000.0 181.0574 5700.0 204.9747 10000.0 204.9927 2800.0 224.9806 3700.0 227.015 4500.0 245.0251 280000.0 246.0292 12000.0 END IONS BEGIN IONS SCANS=1143 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.338 3400.0 51.5199 3800.0 57.9921 6700.0 60.4638 2700.0 84.9921 15000.0 84.9947 8600.0 85.0029 2200000.0 85.0134 14000.0 96.8881 5700.0 122.2174 3500.0 146.9221 2900.0 185.2155 2600.0 192.9961 3900.0 193.0876 4900.0 END IONS BEGIN IONS SCANS=1144 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.3289 4400.0 51.1171 3800.0 51.5406 3300.0 60.1913 3700.0 83.2631 3700.0 94.2708 4300.0 96.8887 5100.0 104.0244 7700.0 121.8596 3500.0 END IONS BEGIN IONS SCANS=1145 PEPMASS=84.9999 CHARGE=-1 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CHARGE=-1 COLLISION_ENERGY=0.0 51.02 2100.0 52.6472 1800.0 59.0125 170000.0 68.7433 2100.0 70.6294 2000.0 70.8527 2100.0 73.297 2000.0 76.0048 14000.0 92.7215 2100.0 96.8906 3000.0 103.0162 28000.0 103.0287 2300.0 119.718 2400.0 END IONS BEGIN IONS SCANS=1151 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.535 3200.0 51.8493 3500.0 54.7731 3400.0 57.0428 3500.0 76.1933 3200.0 79.9038 3400.0 87.6803 3200.0 96.8891 5400.0 104.024 14000.0 107.9077 4200.0 124.6241 4100.0 END IONS BEGIN IONS SCANS=1152 PEPMASS=133.0123 CHARGE=-1 COLLISION_ENERGY=0.0 51.5238 2300.0 56.9866 2100.0 65.9568 2500.0 71.0124 43000.0 72.9917 4800.0 89.0233 5500.0 96.8898 2300.0 114.6364 2000.0 115.002 69000.0 117.1747 2500.0 117.2191 2300.0 118.6914 1900.0 132.8663 48000.0 133.013 17000.0 133.0397 3200.0 152.5782 2200.0 END IONS BEGIN IONS SCANS=1153 PEPMASS=195.0494 CHARGE=-1 COLLISION_ENERGY=0.0 55.1912 2200.0 57.0333 2900.0 59.0123 17000.0 63.5528 2200.0 70.1009 2200.0 71.0123 11000.0 72.9915 4400.0 75.0071 97000.0 85.0028 4400.0 85.0279 9100.0 86.7446 2300.0 87.0073 15000.0 89.0227 8800.0 96.8909 4100.0 99.0072 14000.0 101.022 2300.0 111.0077 3900.0 116.1324 2300.0 117.0175 2300.0 129.0174 47000.0 130.9912 4500.0 133.0811 2500.0 139.7758 2500.0 141.0175 4300.0 159.0285 23000.0 162.8111 2100.0 177.0394 6000.0 194.8667 2300.0 195.0499 130000.0 END IONS BEGIN IONS SCANS=1154 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 420000.0 60.399 21000.0 83.924 23000.0 84.9891 29000.0 85.0028 8300000.0 END IONS BEGIN IONS SCANS=1155 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 60.0155 4500.0 96.8879 6700.0 97.2195 4000.0 104.0241 8300.0 106.3116 4100.0 112.2667 3900.0 121.7576 3500.0 124.5874 3700.0 END IONS BEGIN IONS SCANS=1156 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 5600.0 65.483 2600.0 67.0616 2100.0 78.6862 2500.0 85.0028 1300000.0 85.0134 9100.0 96.892 2400.0 110.3769 2600.0 123.0406 2600.0 129.3816 2900.0 193.0864 7400.0 END IONS BEGIN IONS SCANS=1157 PEPMASS=85.0 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CHARGE=-1 COLLISION_ENERGY=0.0 57.992 370000.0 76.6165 26000.0 85.0028 6800000.0 88.5046 27000.0 96.8903 28000.0 97.2411 23000.0 END IONS BEGIN IONS SCANS=1162 PEPMASS=193.005 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 7800.0 59.8551 2400.0 61.4807 2300.0 63.498 2500.0 68.1067 2500.0 78.0565 2600.0 84.9921 14000.0 84.9943 14000.0 85.0028 2000000.0 85.0113 11000.0 85.0134 16000.0 86.7258 2500.0 90.932 4100.0 94.8677 2400.0 96.8883 7400.0 107.5218 2800.0 119.9874 2400.0 147.6152 2400.0 185.8103 2500.0 193.0858 11000.0 END IONS BEGIN IONS SCANS=1163 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 380000.0 59.6282 22000.0 60.9903 21000.0 69.6623 20000.0 77.6577 20000.0 84.9921 48000.0 85.0028 7200000.0 88.79 22000.0 88.8072 21000.0 96.8904 41000.0 99.788 19000.0 END IONS BEGIN IONS SCANS=1164 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 290000.0 67.9998 21000.0 78.1229 24000.0 85.0027 6400000.0 86.5506 19000.0 96.8861 22000.0 96.8917 37000.0 END IONS BEGIN IONS SCANS=1165 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51.5314 23000.0 55.1169 25000.0 57.3203 21000.0 57.9921 350000.0 67.9999 30000.0 75.2508 26000.0 82.5255 26000.0 85.0028 7000000.0 90.8985 23000.0 103.8501 23000.0 END IONS BEGIN IONS SCANS=1170 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 370000.0 60.1716 22000.0 65.0975 24000.0 81.6996 23000.0 85.0028 6800000.0 96.8907 61000.0 98.6669 23000.0 END IONS BEGIN IONS SCANS=1171 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 2900.0 71.0124 160000.0 71.0174 4100.0 71.9779 2200.0 72.9914 24000.0 74.4343 2000.0 85.4065 2000.0 89.0226 17000.0 96.8892 2800.0 106.5414 2300.0 115.002 270000.0 132.8662 65000.0 133.0125 60000.0 149.8647 2100.0 END IONS BEGIN IONS SCANS=1172 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 57.1174 2100.0 59.0124 130000.0 59.2844 1900.0 60.464 2000.0 61.5699 2000.0 63.2166 2000.0 66.0856 2000.0 76.005 11000.0 76.1617 2000.0 77.7082 1900.0 85.3309 2000.0 95.0928 2200.0 96.8851 2400.0 96.8908 2900.0 103.0161 29000.0 109.3922 2400.0 117.471 1900.0 END 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64.0553 2100.0 71.0124 130000.0 72.9914 24000.0 76.3823 2200.0 82.1801 2100.0 87.0071 3000.0 87.6901 2100.0 89.0229 13000.0 96.8895 3600.0 100.8004 2400.0 106.3769 2100.0 107.3722 2200.0 115.0022 220000.0 118.4711 2100.0 132.8663 65000.0 133.0129 46000.0 148.9784 2300.0 END IONS BEGIN IONS SCANS=1178 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 54.116 24000.0 57.992 380000.0 57.9952 37000.0 65.3603 25000.0 67.6942 24000.0 72.7874 24000.0 76.238 20000.0 84.992 69000.0 85.0028 8100000.0 85.6796 24000.0 87.3848 23000.0 96.8871 30000.0 END IONS BEGIN IONS SCANS=1179 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 53.7445 33000.0 55.6428 27000.0 57.992 500000.0 67.6095 28000.0 68.0001 39000.0 73.5495 35000.0 79.4063 27000.0 85.0028 9500000.0 93.3761 35000.0 94.9077 29000.0 96.8876 38000.0 END IONS BEGIN IONS SCANS=1180 PEPMASS=193.0049 CHARGE=-1 COLLISION_ENERGY=0.0 57.9918 5300.0 61.5179 2400.0 67.8655 2100.0 84.989 4600.0 84.9921 11000.0 84.9947 7000.0 85.0029 1800000.0 85.0136 12000.0 96.8881 3000.0 102.5081 2300.0 110.0607 2300.0 131.8582 3000.0 144.8846 2600.0 163.9194 2100.0 192.9965 2400.0 193.0867 9200.0 END IONS BEGIN IONS SCANS=1181 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 330000.0 60.48 20000.0 64.6548 22000.0 65.1709 21000.0 67.9579 21000.0 79.5004 21000.0 84.9922 36000.0 85.0028 6200000.0 93.6225 21000.0 96.8883 35000.0 END IONS BEGIN IONS SCANS=1182 PEPMASS=103.0131 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 160000.0 76.0053 12000.0 77.5921 2800.0 85.1506 2100.0 96.8894 3600.0 103.0159 27000.0 103.0287 3700.0 110.4339 1800.0 111.457 2000.0 117.2189 2300.0 END IONS BEGIN IONS SCANS=1183 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 340000.0 59.5614 28000.0 61.9312 31000.0 71.9501 27000.0 85.0028 7000000.0 85.0134 46000.0 96.8909 31000.0 97.4771 23000.0 103.1228 26000.0 END IONS BEGIN IONS SCANS=1184 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 4600.0 78.8151 2700.0 83.6662 2300.0 84.9921 8900.0 85.0029 1200000.0 85.0135 7200.0 87.089 2400.0 87.5378 2200.0 88.0917 2300.0 90.9322 3200.0 96.8894 5800.0 126.3684 2300.0 167.0915 2300.0 177.0975 2300.0 192.9959 2400.0 193.0863 8000.0 199.4471 2200.0 END IONS BEGIN IONS SCANS=1185 PEPMASS=193.005 CHARGE=-1 COLLISION_ENERGY=0.0 54.0028 2500.0 57.9919 5800.0 68.6149 2300.0 69.8811 2400.0 76.6753 2500.0 84.9921 13000.0 84.9944 8200.0 85.0028 1900000.0 85.0134 13000.0 85.0195 3800.0 92.4712 2600.0 96.209 3000.0 96.562 2600.0 98.048 2400.0 155.0588 2500.0 193.085 7000.0 END IONS BEGIN IONS SCANS=1186 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.4948 3600.0 53.667 3600.0 54.9136 3200.0 55.8895 3000.0 56.0269 3100.0 56.1849 3500.0 60.0158 4500.0 64.0056 3200.0 66.0289 3100.0 75.7672 3700.0 77.8271 3900.0 78.531 4400.0 104.0238 5200.0 115.4259 3600.0 END IONS BEGIN IONS SCANS=1187 PEPMASS=211.0079 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 7800.0 63.5831 2300.0 85.0027 210000.0 85.01 2900.0 85.8719 2100.0 87.0975 2100.0 95.0967 2200.0 96.8909 2300.0 103.0134 6500.0 139.895 2600.0 158.6264 2200.0 178.7452 2400.0 END IONS BEGIN IONS SCANS=1188 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 51.5318 26000.0 54.4657 24000.0 57.9921 450000.0 68.0001 30000.0 73.0176 21000.0 82.7302 21000.0 85.0028 8500000.0 85.0166 26000.0 96.8883 27000.0 END IONS BEGIN IONS SCANS=1189 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 140000.0 67.3344 2000.0 76.0049 10000.0 87.7667 2100.0 103.0162 23000.0 111.1328 2000.0 115.6064 2300.0 END IONS BEGIN IONS SCANS=1190 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 190000.0 66.0844 9700.0 66.1069 9500.0 66.1104 11000.0 66.7563 9300.0 68.0002 9700.0 71.956 13000.0 85.0028 3500000.0 96.8874 13000.0 100.7084 10000.0 END IONS BEGIN IONS SCANS=1191 PEPMASS=84.9962 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 330000.0 81.6506 22000.0 83.9606 21000.0 84.9922 46000.0 85.0028 7100000.0 91.7259 25000.0 96.8859 22000.0 101.757 27000.0 END IONS BEGIN IONS SCANS=1192 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 50.3711 2600.0 50.6364 2300.0 57.992 7400.0 66.0416 2500.0 66.9295 2600.0 84.9859 4300.0 85.0028 2100000.0 85.0114 10000.0 85.0135 16000.0 86.0806 2400.0 96.8912 5000.0 119.2455 2500.0 132.9296 2900.0 154.2944 2900.0 192.998 4100.0 193.0871 6100.0 212.1298 2500.0 END IONS BEGIN IONS SCANS=1193 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 52.9732 20000.0 57.992 310000.0 64.1287 19000.0 68.0003 22000.0 85.0028 6000000.0 86.43 19000.0 END IONS BEGIN IONS SCANS=1194 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 60.0158 4400.0 84.0397 3900.0 104.0242 8500.0 END IONS BEGIN IONS SCANS=1195 PEPMASS=193.0047 CHARGE=-1 COLLISION_ENERGY=0.0 51.5063 3600.0 57.9921 8600.0 66.445 2400.0 84.9921 15000.0 84.9947 6800.0 85.0028 2100000.0 85.0134 13000.0 96.8906 4000.0 190.6579 2700.0 193.0869 7700.0 205.3748 2600.0 END IONS BEGIN IONS SCANS=1196 PEPMASS=84.9997 CHARGE=-1 COLLISION_ENERGY=0.0 51.5419 35000.0 56.3477 22000.0 56.5294 27000.0 57.992 420000.0 60.3775 24000.0 67.9996 39000.0 85.0027 8300000.0 85.0134 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IONS SCANS=1201 PEPMASS=193.0049 CHARGE=-1 COLLISION_ENERGY=0.0 53.3322 4400.0 57.4299 2800.0 57.992 5200.0 62.1258 3200.0 64.3969 2900.0 65.9478 3400.0 71.9454 3300.0 83.6033 3100.0 84.9922 16000.0 84.9946 8600.0 85.0028 2300000.0 85.0134 13000.0 90.9322 5000.0 184.346 4000.0 186.2818 3400.0 193.0867 7900.0 END IONS BEGIN IONS SCANS=1202 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.2157 20000.0 51.9767 21000.0 57.992 320000.0 84.9921 66000.0 85.0028 7800000.0 87.2309 23000.0 96.891 34000.0 END IONS BEGIN IONS SCANS=1203 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 6700.0 84.9921 12000.0 85.0029 2000000.0 96.8862 3600.0 96.8921 3700.0 100.9224 2500.0 109.0745 2900.0 120.2242 2900.0 129.8353 2500.0 193.086 11000.0 END IONS BEGIN IONS SCANS=1204 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 7100.0 78.2024 2500.0 85.0027 250000.0 94.9578 2200.0 96.8863 2200.0 103.0137 9300.0 116.9199 2300.0 139.896 4300.0 145.4985 2200.0 END IONS BEGIN IONS SCANS=1205 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58.4334 3300.0 58.9542 3100.0 84.9921 17000.0 84.9943 9700.0 85.0028 2400000.0 96.8893 7600.0 114.0049 3000.0 150.2766 3300.0 156.4344 3700.0 193.0861 9200.0 END IONS BEGIN IONS SCANS=1210 PEPMASS=96.9609 CHARGE=-1 COLLISION_ENERGY=0.0 51.5446 2300.0 57.277 2000.0 62.6371 2200.0 78.9517 94000.0 79.95 51000.0 82.7244 2100.0 96.8914 2400.0 96.9386 7700.0 96.9414 5200.0 96.9515 1200000.0 96.9591 6500.0 96.9616 16000.0 96.9647 6000.0 96.9679 3500.0 97.0211 7000.0 97.9228 4100.0 97.9509 5600.0 100.525 2700.0 END IONS BEGIN IONS SCANS=1211 PEPMASS=133.0122 CHARGE=-1 COLLISION_ENERGY=0.0 51.7708 2100.0 51.9784 2300.0 53.7444 1900.0 62.4526 2100.0 63.2004 2300.0 71.0123 71000.0 71.5356 2300.0 72.9916 13000.0 89.0227 10000.0 94.5785 2100.0 96.8887 2800.0 115.0021 120000.0 131.9769 2300.0 132.8663 45000.0 133.0129 27000.0 145.613 2200.0 END IONS BEGIN IONS SCANS=1212 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 54.2554 23000.0 57.9921 390000.0 60.0672 21000.0 67.9998 21000.0 68.8983 25000.0 85.0028 7000000.0 96.8867 25000.0 END IONS BEGIN IONS SCANS=1213 PEPMASS=193.0052 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 6900.0 64.7438 3100.0 84.9922 14000.0 84.9946 13000.0 85.0029 2400000.0 85.0136 16000.0 85.0165 5600.0 96.8893 9900.0 99.8955 3500.0 193.0871 12000.0 208.6917 3300.0 END IONS BEGIN IONS SCANS=1214 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 54.2223 3200.0 73.2102 3500.0 88.131 3200.0 96.8905 4800.0 104.024 5500.0 END IONS BEGIN IONS SCANS=1215 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 93.7773 3300.0 104.0238 6300.0 108.3047 3300.0 END IONS BEGIN IONS SCANS=1216 PEPMASS=169.9798 CHARGE=-1 COLLISION_ENERGY=0.0 51.5233 2400.0 59.9532 2200.0 61.9867 11000.0 65.0129 2400.0 84.992 3100.0 85.0027 470000.0 96.8881 3700.0 97.7085 2200.0 137.548 2000.0 139.9399 2100.0 150.6092 2100.0 END IONS BEGIN IONS SCANS=1217 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.0523 2500.0 55.6618 2600.0 57.9921 9600.0 58.0695 2900.0 76.6301 3000.0 85.0029 2100000.0 85.0134 14000.0 90.6856 2500.0 96.8858 3400.0 96.8912 3200.0 101.4343 3000.0 108.429 3200.0 111.0066 3000.0 115.2192 2900.0 174.0505 2900.0 184.7992 2800.0 193.0865 11000.0 END IONS BEGIN IONS SCANS=1218 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 52.8939 18000.0 53.284 17000.0 57.9921 320000.0 59.6436 19000.0 67.6931 21000.0 85.0027 6000000.0 87.2228 19000.0 96.3122 20000.0 96.8889 23000.0 103.0897 18000.0 END IONS BEGIN IONS SCANS=1219 PEPMASS=193.0055 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 4700.0 59.6145 2800.0 70.6135 2700.0 84.989 5400.0 84.9921 12000.0 85.0029 1900000.0 85.0134 14000.0 90.9309 2800.0 96.8886 5300.0 97.1239 2600.0 180.591 3000.0 193.0873 6400.0 207.2866 3300.0 END IONS BEGIN IONS SCANS=1220 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 51.3839 12000.0 54.1524 14000.0 57.9922 220000.0 85.0029 4400000.0 96.8876 17000.0 END IONS BEGIN IONS SCANS=1221 PEPMASS=205.0347 CHARGE=-1 COLLISION_ENERGY=0.0 51.5132 2400.0 59.1141 2100.0 67.0304 2100.0 71.0483 8500.0 81.0327 5100.0 85.0025 3100.0 96.8901 3300.0 99.0435 80000.0 101.0227 78000.0 111.0071 2900.0 115.0386 41000.0 120.989 3500.0 125.0225 290000.0 143.0334 49000.0 145.0127 170000.0 187.0238 100000.0 205.0344 140000.0 END IONS BEGIN IONS SCANS=1222 PEPMASS=191.0196 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 120000.0 58.9842 7500.0 67.0174 31000.0 72.9918 8800.0 73.028 9100.0 73.116 11000.0 78.2828 7500.0 85.0279 670000.0 87.0072 1100000.0 89.6653 9100.0 96.8891 39000.0 101.0223 11000.0 102.9468 14000.0 103.0385 14000.0 111.0073 3200000.0 116.9078 7500.0 117.0179 29000.0 121.0967 7300.0 124.3524 8200.0 129.0175 170000.0 130.9977 15000.0 147.0284 18000.0 154.9963 44000.0 173.0076 86000.0 191.0187 340000.0 END IONS BEGIN IONS SCANS=1223 PEPMASS=333.0598 CHARGE=-1 COLLISION_ENERGY=0.0 58.5279 2800.0 78.9575 190000.0 96.888 4500.0 96.9678 45000.0 150.978 4300.0 152.9945 570000.0 171.0047 48000.0 223.3348 2800.0 241.0113 280000.0 259.0222 11000.0 333.0595 1300000.0 END IONS BEGIN IONS SCANS=1224 PEPMASS=133.0128 CHARGE=-1 COLLISION_ENERGY=0.0 66.413 2100.0 71.0124 180000.0 71.0174 3300.0 72.9915 32000.0 76.6329 1800.0 89.0227 25000.0 115.002 280000.0 132.866 84000.0 133.0126 64000.0 133.0499 3000.0 147.9469 2300.0 END IONS BEGIN IONS SCANS=1225 PEPMASS=192.0212 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 6800.0 58.0367 3500.0 85.0279 19000.0 86.0312 41000.0 87.007 48000.0 88.0105 43000.0 96.8894 2400.0 99.1593 2300.0 111.0071 53000.0 111.999 3200.0 112.0105 210000.0 112.0216 2600.0 119.8626 1900.0 129.0176 3300.0 130.0206 11000.0 174.0125 8100.0 192.0209 30000.0 END IONS BEGIN IONS SCANS=1226 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 390000.0 61.552 23000.0 68.0002 22000.0 84.9921 51000.0 85.0027 7600000.0 85.0135 46000.0 96.8914 26000.0 END IONS BEGIN IONS SCANS=1227 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 54.6651 2100.0 65.9973 3700.0 67.0175 8500.0 83.6799 2200.0 87.262 2000.0 96.8887 2500.0 97.3411 2500.0 97.9101 2300.0 98.1227 1700.0 107.2137 2400.0 107.5136 2200.0 107.5372 1900.0 108.653 1900.0 110.9738 2200.0 111.0071 19000.0 111.0188 3900.0 111.6481 2000.0 END IONS BEGIN IONS SCANS=1228 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 53.635 2700.0 58.9189 2600.0 75.6096 3200.0 81.7424 2700.0 84.7131 3100.0 87.4089 3200.0 104.0239 9200.0 117.1146 2600.0 122.1139 2600.0 END IONS BEGIN IONS SCANS=1229 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 410000.0 64.4559 22000.0 72.4378 20000.0 85.0028 8100000.0 85.0134 62000.0 96.8888 40000.0 END IONS BEGIN IONS SCANS=1230 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.9102 8600.0 57.992 170000.0 61.1972 9200.0 62.2437 10000.0 70.0065 9700.0 85.0027 3200000.0 96.8885 18000.0 END IONS BEGIN IONS SCANS=1231 PEPMASS=133.0127 CHARGE=-1 COLLISION_ENERGY=0.0 53.7328 2100.0 58.4605 2200.0 67.4636 2700.0 71.0066 2700.0 71.0124 180000.0 71.0173 4200.0 72.9914 36000.0 87.0076 3000.0 88.0322 2000.0 89.0229 21000.0 94.0065 2400.0 96.8904 2600.0 108.3567 2500.0 115.0021 280000.0 122.0292 2300.0 132.866 74000.0 133.0127 63000.0 END IONS BEGIN IONS SCANS=1232 PEPMASS=191.0269 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 100000.0 64.7796 8000.0 67.0173 21000.0 70.1908 7500.0 72.9918 14000.0 84.607 7300.0 85.0278 630000.0 87.0071 1000000.0 96.8891 16000.0 101.0224 9300.0 102.947 15000.0 110.9988 21000.0 111.0072 3000000.0 117.0176 11000.0 129.0174 150000.0 130.9958 12000.0 147.0282 10000.0 154.9965 33000.0 173.0073 59000.0 191.0189 320000.0 END IONS BEGIN IONS SCANS=1233 PEPMASS=194.945 CHARGE=-1 COLLISION_ENERGY=0.0 51.2618 2100.0 59.0128 2700.0 59.326 2300.0 75.007 19000.0 78.9575 140000.0 96.8894 3500.0 96.9679 660000.0 96.9808 3500.0 97.0107 2300.0 99.007 4400.0 102.7024 2600.0 121.0443 2700.0 126.5354 2200.0 129.0178 11000.0 130.9904 13000.0 158.9237 22000.0 159.028 3700.0 176.934 49000.0 182.4721 2800.0 194.9018 4300.0 195.05 29000.0 204.3756 2800.0 208.1951 2200.0 214.3765 2500.0 END IONS BEGIN IONS SCANS=1234 PEPMASS=96.968 CHARGE=-1 COLLISION_ENERGY=0.0 78.9482 19000.0 78.9502 22000.0 78.9577 3000000.0 78.9654 16000.0 78.9672 18000.0 79.9559 160000.0 95.174 3700.0 96.8856 5700.0 96.8911 8600.0 96.9385 7700.0 96.9456 22000.0 96.9487 33000.0 96.9521 21000.0 96.9589 3800000.0 96.9676 230000.0 END IONS BEGIN IONS SCANS=1235 PEPMASS=133.0177 CHARGE=-1 COLLISION_ENERGY=0.0 56.4742 1900.0 57.7814 2500.0 59.0123 2900.0 71.0124 180000.0 72.6857 2000.0 72.9914 31000.0 87.0072 4400.0 89.0227 21000.0 90.8886 2200.0 96.8872 3200.0 115.0021 260000.0 132.8662 72000.0 133.0124 60000.0 END IONS BEGIN IONS SCANS=1236 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 51.1477 2100.0 65.9971 3400.0 67.0176 7100.0 72.85 2400.0 73.8766 1900.0 77.9664 2000.0 86.2541 2100.0 89.3904 1800.0 90.2168 2000.0 101.6627 2100.0 103.6345 2200.0 106.0065 2500.0 111.007 25000.0 113.2331 2000.0 118.3626 2100.0 END IONS BEGIN IONS SCANS=1237 PEPMASS=192.0211 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 5300.0 58.037 2800.0 78.1768 2000.0 83.0377 2400.0 85.0278 21000.0 86.0311 44000.0 87.007 42000.0 88.0105 42000.0 96.8887 3200.0 111.007 45000.0 112.0105 230000.0 129.0181 3000.0 130.0213 9200.0 130.7448 2100.0 174.0113 4700.0 192.0217 31000.0 END IONS BEGIN IONS SCANS=1238 PEPMASS=205.0344 CHARGE=-1 COLLISION_ENERGY=0.0 54.0849 2300.0 71.0487 4200.0 96.8866 2200.0 99.0433 40000.0 101.0228 37000.0 115.0385 25000.0 125.0227 140000.0 143.0335 25000.0 145.0128 72000.0 180.9825 2200.0 187.0238 46000.0 205.0345 61000.0 END IONS BEGIN IONS SCANS=1239 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 52.2792 23000.0 57.9919 300000.0 68.0 28000.0 85.0027 6300000.0 92.9976 23000.0 96.8899 33000.0 END IONS BEGIN IONS SCANS=1240 PEPMASS=104.0268 CHARGE=-1 COLLISION_ENERGY=0.0 60.0159 4000.0 68.743 2700.0 78.8665 3000.0 96.8886 3200.0 104.0238 7900.0 114.9541 2900.0 END IONS BEGIN IONS SCANS=1241 PEPMASS=191.0193 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 81000.0 67.0178 18000.0 69.1636 5700.0 72.9917 6300.0 85.0279 580000.0 85.0352 7300.0 87.0072 870000.0 96.8898 6800.0 102.947 6200.0 103.0377 5900.0 111.0073 2400000.0 117.0177 11000.0 119.8228 5500.0 127.5797 5300.0 129.0177 130000.0 141.0544 6500.0 147.0278 8400.0 154.9972 20000.0 159.3928 6500.0 173.0069 50000.0 191.019 250000.0 END IONS BEGIN IONS SCANS=1242 PEPMASS=209.0293 CHARGE=-1 COLLISION_ENERGY=0.0 50.3388 2100.0 51.514 2400.0 55.596 2200.0 57.0332 8900.0 58.1117 2200.0 58.9889 2000.0 59.0123 11000.0 59.2878 2300.0 69.922 2400.0 71.0125 10000.0 85.0278 86000.0 89.0226 5400.0 96.889 3800.0 102.5376 2500.0 110.0725 2200.0 129.0176 3900.0 133.0129 9100.0 145.9995 3500.0 147.0284 3800.0 191.0182 13000.0 192.7677 2100.0 209.0296 28000.0 END IONS BEGIN IONS SCANS=1243 PEPMASS=96.9678 CHARGE=-1 COLLISION_ENERGY=0.0 60.4652 2500.0 62.4178 2500.0 65.8399 2300.0 69.8451 2300.0 78.9577 1200000.0 78.9655 6000.0 78.9672 9600.0 79.9558 91000.0 81.2281 2400.0 83.3068 2400.0 85.6889 2700.0 93.7963 2800.0 95.0922 2500.0 96.8881 4600.0 96.9271 3700.0 96.9456 10000.0 96.9588 2100000.0 96.9676 95000.0 98.1198 2300.0 98.6818 2600.0 END IONS BEGIN IONS SCANS=1244 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 400000.0 60.4622 31000.0 70.0766 29000.0 77.8833 23000.0 85.0028 7700000.0 96.8902 27000.0 END IONS BEGIN IONS SCANS=1245 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 370000.0 68.0001 25000.0 84.9921 57000.0 85.0028 8200000.0 96.8879 27000.0 101.4785 20000.0 END IONS BEGIN IONS SCANS=1246 PEPMASS=111.0067 CHARGE=-1 COLLISION_ENERGY=0.0 63.8087 1800.0 63.8381 1900.0 65.9972 6700.0 67.0176 4600.0 68.0127 2100.0 81.0422 2100.0 96.8873 2600.0 111.0075 11000.0 111.0177 2000.0 122.7269 1900.0 END IONS BEGIN IONS SCANS=1247 PEPMASS=205.0339 CHARGE=-1 COLLISION_ENERGY=0.0 52.8615 2300.0 65.977 2000.0 72.0 2200.0 79.0227 2300.0 85.0029 3400.0 96.8912 2400.0 99.0434 23000.0 101.0229 24000.0 103.1122 2400.0 115.0382 9000.0 125.0226 75000.0 127.6483 2800.0 143.0334 16000.0 145.0129 52000.0 179.3736 2800.0 187.0234 25000.0 202.4038 2800.0 205.0349 34000.0 END IONS BEGIN IONS SCANS=1248 PEPMASS=191.0276 CHARGE=-1 COLLISION_ENERGY=0.0 54.4268 4300.0 57.0331 55000.0 67.0175 9000.0 73.0278 5800.0 76.6154 3900.0 85.0278 370000.0 87.0071 550000.0 102.9473 16000.0 103.0385 7600.0 111.0072 1600000.0 117.0174 9600.0 129.0176 79000.0 130.9966 5200.0 151.1535 3800.0 154.9967 16000.0 173.0075 33000.0 191.0185 170000.0 191.0558 4500.0 195.6456 3800.0 END IONS BEGIN IONS SCANS=1249 PEPMASS=133.0125 CHARGE=-1 COLLISION_ENERGY=0.0 50.8469 1900.0 52.3774 2000.0 61.5476 2700.0 70.1929 2000.0 71.0124 170000.0 71.0174 4100.0 72.9913 32000.0 82.2648 2100.0 83.1391 1900.0 89.0227 18000.0 96.8873 3200.0 115.0021 290000.0 132.8663 85000.0 133.0128 56000.0 END IONS BEGIN IONS SCANS=1250 PEPMASS=84.9999 CHARGE=-1 COLLISION_ENERGY=0.0 51.3653 22000.0 51.5158 30000.0 57.9919 370000.0 67.9999 23000.0 74.3991 21000.0 85.0027 7200000.0 91.8592 20000.0 92.6753 19000.0 END IONS BEGIN IONS SCANS=1251 PEPMASS=84.9948 CHARGE=-1 COLLISION_ENERGY=0.0 50.2434 23000.0 57.992 330000.0 59.8449 20000.0 66.7919 22000.0 68.0003 29000.0 80.0919 22000.0 85.0027 6600000.0 85.6419 26000.0 96.8904 37000.0 98.1229 22000.0 104.5092 28000.0 END IONS BEGIN IONS SCANS=1252 PEPMASS=191.0269 CHARGE=-1 COLLISION_ENERGY=0.0 52.9617 5600.0 55.1975 4900.0 57.0332 80000.0 67.0173 12000.0 72.9917 7700.0 85.0204 8400.0 85.0279 540000.0 87.0072 790000.0 96.8872 6900.0 101.0229 6000.0 102.947 14000.0 103.039 6100.0 111.0072 2400000.0 111.023 18000.0 117.0179 7800.0 129.0175 120000.0 130.9976 8200.0 147.0283 15000.0 154.9968 23000.0 173.0081 39000.0 191.0189 260000.0 END IONS BEGIN IONS SCANS=1253 PEPMASS=133.013 CHARGE=-1 COLLISION_ENERGY=0.0 71.0068 3200.0 71.0124 230000.0 71.0174 3200.0 71.0181 2100.0 72.9915 34000.0 87.0075 2900.0 89.0227 27000.0 95.5785 2100.0 96.8878 3700.0 105.5184 2200.0 108.4001 2000.0 110.9487 2100.0 115.0021 340000.0 132.8662 70000.0 133.0127 78000.0 END IONS BEGIN IONS SCANS=1254 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 270000.0 67.9997 23000.0 79.9878 17000.0 85.0028 5300000.0 85.0133 30000.0 87.9863 18000.0 96.6376 17000.0 103.0768 18000.0 103.9021 16000.0 END IONS BEGIN IONS SCANS=1255 PEPMASS=191.0265 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 84000.0 67.0175 18000.0 73.0278 8800.0 85.0202 8100.0 85.028 520000.0 85.0353 6600.0 87.0072 810000.0 96.8901 18000.0 101.4148 5200.0 102.9472 18000.0 110.9918 7700.0 110.9937 5800.0 111.0074 2400000.0 117.0178 9400.0 129.0175 120000.0 130.9981 8400.0 147.0289 16000.0 150.5792 6200.0 154.9968 25000.0 173.007 52000.0 191.0187 240000.0 END IONS BEGIN IONS SCANS=1256 PEPMASS=191.0278 CHARGE=-1 COLLISION_ENERGY=0.0 54.6427 4700.0 57.0333 77000.0 67.0174 20000.0 72.992 5500.0 75.3825 4800.0 85.0279 510000.0 85.035 5600.0 86.5026 5200.0 87.0071 760000.0 96.8881 6500.0 102.9469 14000.0 103.0385 6700.0 111.0073 2300000.0 115.3524 4500.0 117.0173 14000.0 129.0176 120000.0 130.9977 7000.0 146.9381 6400.0 147.0286 12000.0 154.9983 24000.0 173.0076 43000.0 191.0189 250000.0 191.053 5400.0 END IONS BEGIN IONS SCANS=1257 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.5294 26000.0 57.992 350000.0 59.0593 27000.0 63.7264 25000.0 81.3315 24000.0 84.9921 38000.0 85.0027 6900000.0 89.103 27000.0 91.2545 25000.0 95.5306 21000.0 96.8894 26000.0 END IONS BEGIN IONS SCANS=1258 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 53.2384 2500.0 58.0378 2200.0 78.377 2400.0 82.1243 2500.0 82.6867 2300.0 96.8878 4200.0 104.024 7200.0 118.1042 2500.0 END IONS BEGIN IONS SCANS=1259 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5196 18000.0 55.6495 17000.0 57.9919 220000.0 68.0001 18000.0 77.5935 16000.0 83.2667 16000.0 85.0028 4700000.0 85.4545 15000.0 96.8878 29000.0 END IONS BEGIN IONS SCANS=1260 PEPMASS=193.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 7100.0 65.8952 2800.0 70.1095 2900.0 84.9921 17000.0 84.9947 8700.0 85.0029 2400000.0 85.0134 17000.0 90.9317 4500.0 96.8882 4900.0 113.0812 2800.0 126.428 3200.0 193.087 13000.0 END IONS BEGIN IONS SCANS=1261 PEPMASS=133.0127 CHARGE=-1 COLLISION_ENERGY=0.0 58.6616 2000.0 62.6789 2000.0 71.0122 130000.0 72.9912 22000.0 83.2224 2600.0 87.0071 2700.0 89.0227 17000.0 93.6506 2700.0 96.8882 6100.0 114.9902 2500.0 114.9919 2700.0 115.0019 210000.0 115.0116 4100.0 115.0136 2600.0 120.0731 2100.0 132.8663 52000.0 133.0124 50000.0 END IONS BEGIN IONS SCANS=1262 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 50.8784 2000.0 57.2234 1800.0 59.0124 110000.0 61.2922 2100.0 69.1774 1900.0 73.9741 1900.0 75.007 1900.0 76.0048 9800.0 94.0439 2000.0 96.8899 3400.0 103.016 24000.0 END IONS BEGIN IONS SCANS=1263 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 330000.0 70.3135 22000.0 71.2766 19000.0 71.3359 21000.0 85.0027 7200000.0 96.8885 27000.0 102.8181 21000.0 END IONS BEGIN IONS SCANS=1264 PEPMASS=84.9998 CHARGE=-1 COLLISION_ENERGY=0.0 57.8121 18000.0 57.992 370000.0 65.4295 16000.0 66.0775 17000.0 67.9999 22000.0 84.9921 47000.0 85.0028 7300000.0 85.0134 52000.0 96.8882 30000.0 END IONS BEGIN IONS SCANS=1265 PEPMASS=103.0128 CHARGE=-1 COLLISION_ENERGY=0.0 51.53 2200.0 59.0123 86000.0 76.0048 11000.0 96.8898 2900.0 103.016 20000.0 END IONS BEGIN IONS SCANS=1266 PEPMASS=192.9972 CHARGE=-1 COLLISION_ENERGY=0.0 57.9924 3800.0 61.398 2100.0 84.992 9800.0 85.0029 1600000.0 85.0134 10000.0 85.0283 2800.0 90.9328 2400.0 96.8861 2800.0 121.146 2400.0 193.0863 8800.0 END IONS BEGIN IONS SCANS=1267 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5272 14000.0 57.9921 200000.0 63.0387 12000.0 65.719 11000.0 72.9056 12000.0 85.0028 4100000.0 96.8894 17000.0 END IONS BEGIN IONS SCANS=1268 PEPMASS=191.0274 CHARGE=-1 COLLISION_ENERGY=0.0 51.5382 3700.0 57.0332 39000.0 57.3646 3700.0 62.7957 4400.0 67.0176 7800.0 72.2556 3100.0 72.9912 3500.0 78.5927 3100.0 85.0278 290000.0 85.0352 4800.0 87.0071 460000.0 91.3494 3600.0 96.8896 5700.0 101.0228 6300.0 101.771 3400.0 102.8259 3500.0 102.9469 21000.0 109.8059 3200.0 111.0072 1400000.0 117.0172 7300.0 117.1135 3100.0 121.7563 3500.0 128.3666 3300.0 129.0177 68000.0 130.9971 8500.0 138.1423 3600.0 146.9374 5900.0 147.0285 8400.0 154.9973 14000.0 168.4768 3200.0 170.9874 4200.0 173.0073 23000.0 191.0185 170000.0 197.5904 3800.0 204.0445 3100.0 END IONS BEGIN IONS SCANS=1269 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.55 34000.0 55.3542 20000.0 57.992 370000.0 62.6071 22000.0 67.1034 26000.0 84.989 29000.0 85.0028 8000000.0 85.0134 41000.0 END IONS BEGIN IONS SCANS=1270 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 320000.0 68.6835 19000.0 71.9897 18000.0 84.9922 36000.0 85.0027 6300000.0 96.8835 23000.0 96.8895 30000.0 END IONS BEGIN IONS SCANS=1271 PEPMASS=192.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.9432 2600.0 57.9919 3600.0 60.4602 2400.0 66.2998 2200.0 84.9921 9500.0 84.9946 6400.0 85.0028 1500000.0 85.0135 9200.0 85.0165 3700.0 91.7248 2700.0 96.8897 4900.0 113.0115 2400.0 152.0617 2300.0 187.306 2700.0 192.1353 3000.0 192.9971 3400.0 193.0873 5700.0 200.9072 2400.0 END IONS BEGIN IONS SCANS=1272 PEPMASS=169.9796 CHARGE=-1 COLLISION_ENERGY=0.0 50.6235 2300.0 61.9866 12000.0 62.2964 1900.0 71.7197 2000.0 74.2017 2100.0 75.3741 2000.0 80.4156 2400.0 85.0027 440000.0 101.7468 2100.0 105.8699 2300.0 129.4809 2300.0 135.8804 2100.0 170.0348 2500.0 175.3586 2400.0 179.1422 2800.0 END IONS BEGIN IONS SCANS=1273 PEPMASS=112.9841 CHARGE=-1 COLLISION_ENERGY=0.0 51.5307 1900.0 53.8875 2300.0 54.5197 1900.0 61.9001 1800.0 66.2989 1800.0 68.9943 35000.0 75.8556 2200.0 84.989 2200.0 85.0027 4300.0 96.8871 3400.0 96.8926 2400.0 103.9484 1900.0 106.9911 2300.0 109.128 1900.0 112.998 19000.0 131.4201 2200.0 END IONS BEGIN IONS SCANS=1274 PEPMASS=193.0059 CHARGE=-1 COLLISION_ENERGY=0.0 51.5139 2800.0 55.4614 2200.0 57.1704 2200.0 57.992 6000.0 59.3809 2800.0 82.8478 2500.0 84.9922 12000.0 84.9945 9700.0 85.0029 1900000.0 85.0134 13000.0 87.059 2500.0 90.9316 2900.0 96.8877 5300.0 192.9961 2900.0 193.0863 11000.0 208.7336 2900.0 END IONS BEGIN IONS SCANS=1275 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 400000.0 68.0003 36000.0 84.9861 21000.0 85.0029 7600000.0 85.0135 40000.0 85.0166 22000.0 88.3511 17000.0 91.1586 15000.0 92.0238 17000.0 96.8726 17000.0 END IONS BEGIN IONS SCANS=1276 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.9188 17000.0 52.5019 15000.0 57.9921 320000.0 60.4963 20000.0 66.5886 16000.0 67.9999 22000.0 84.8501 16000.0 85.0028 6200000.0 96.8892 17000.0 END IONS BEGIN IONS SCANS=1277 PEPMASS=96.9585 CHARGE=-1 COLLISION_ENERGY=0.0 54.8669 2000.0 59.6229 2300.0 78.9575 210000.0 78.964 2400.0 79.9557 55000.0 82.1467 2500.0 96.8875 3700.0 96.9454 10000.0 96.9586 1300000.0 96.9686 21000.0 96.9715 3300.0 END IONS BEGIN IONS SCANS=1278 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 5500.0 61.3133 2500.0 82.4867 2300.0 84.9767 2800.0 84.9893 4600.0 84.9921 8800.0 85.0029 1500000.0 85.0135 10000.0 96.8883 3800.0 102.7872 2000.0 175.7524 2700.0 192.9986 2700.0 193.087 11000.0 END IONS BEGIN IONS SCANS=1279 PEPMASS=191.0192 CHARGE=-1 COLLISION_ENERGY=0.0 50.0065 2400.0 57.0333 18000.0 59.0126 2700.0 66.3764 2300.0 85.0279 100000.0 87.0071 150000.0 87.0152 2600.0 87.0631 2600.0 87.9232 3800.0 93.389 2300.0 96.8897 2900.0 102.9472 40000.0 111.0071 440000.0 129.0179 23000.0 146.9373 8200.0 147.0285 2700.0 154.9968 3700.0 165.8051 2400.0 173.0084 9500.0 191.0189 50000.0 191.0549 3600.0 191.1556 2300.0 END IONS BEGIN IONS SCANS=1280 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 400000.0 61.1539 28000.0 67.9999 36000.0 79.352 23000.0 85.0028 7000000.0 96.8903 27000.0 END IONS BEGIN IONS SCANS=1281 PEPMASS=112.9839 CHARGE=-1 COLLISION_ENERGY=0.0 51.5324 2500.0 58.3192 1900.0 60.4789 2100.0 68.9941 30000.0 71.9754 2400.0 76.2608 2100.0 85.0027 6700.0 85.7775 2000.0 94.9848 2000.0 101.3152 2000.0 105.6618 2000.0 112.9974 23000.0 128.4766 1900.0 128.7839 1900.0 129.4235 2100.0 END IONS BEGIN IONS SCANS=1282 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 64.6637 2500.0 66.7962 2000.0 70.9237 2000.0 71.0125 45000.0 72.9911 10000.0 78.4818 2000.0 89.023 6000.0 90.0067 2600.0 90.7325 1900.0 105.261 2000.0 115.0021 79000.0 132.8665 74000.0 133.0126 15000.0 END IONS BEGIN IONS SCANS=1283 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 53.6917 24000.0 57.992 340000.0 67.8703 24000.0 78.4575 25000.0 79.3847 28000.0 85.0028 7400000.0 85.0134 39000.0 100.8208 20000.0 END IONS BEGIN IONS SCANS=1284 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.8744 3200.0 57.992 9500.0 67.0652 2500.0 81.5612 3000.0 84.9921 15000.0 84.9944 9500.0 85.0028 2200000.0 85.0134 17000.0 86.2953 3000.0 96.8871 4100.0 126.6579 3100.0 192.9963 4400.0 193.0864 9200.0 END IONS BEGIN IONS SCANS=1285 PEPMASS=103.0132 CHARGE=-1 COLLISION_ENERGY=0.0 50.4098 2300.0 52.7425 2400.0 59.0124 160000.0 64.8607 2100.0 67.2376 2400.0 76.0053 7000.0 88.0051 2500.0 96.8887 2900.0 103.0159 23000.0 115.6769 2000.0 END IONS BEGIN IONS SCANS=1286 PEPMASS=96.9585 CHARGE=-1 COLLISION_ENERGY=0.0 51.516 2000.0 55.3519 2000.0 57.8609 2500.0 71.9494 2500.0 78.9576 250000.0 78.9637 4600.0 79.1388 2300.0 79.9559 52000.0 87.3035 2200.0 96.8893 2700.0 96.9587 1400000.0 96.9673 13000.0 96.9687 22000.0 96.9718 3900.0 96.9751 2900.0 97.0376 2100.0 100.4015 2100.0 100.93 2300.0 END IONS BEGIN IONS SCANS=1287 PEPMASS=191.0183 CHARGE=-1 COLLISION_ENERGY=0.0 51.5443 2800.0 57.0333 15000.0 58.8761 2200.0 59.012 2500.0 63.7268 2300.0 67.0174 4800.0 85.0278 110000.0 87.0071 160000.0 87.0148 2400.0 91.0009 2400.0 96.889 3000.0 102.947 31000.0 111.0071 510000.0 129.0175 25000.0 139.2803 2300.0 146.9364 7100.0 170.9874 2700.0 173.0075 13000.0 191.0187 55000.0 END IONS BEGIN IONS SCANS=1288 PEPMASS=191.0194 CHARGE=-1 COLLISION_ENERGY=0.0 52.6445 2200.0 55.2647 2300.0 56.0075 2100.0 57.0334 20000.0 58.9579 2600.0 60.4598 2500.0 67.0173 2600.0 85.0279 120000.0 87.0072 210000.0 87.0139 4200.0 87.9233 3000.0 96.8909 3500.0 102.9471 37000.0 111.0073 590000.0 115.0282 2600.0 129.0177 34000.0 146.9378 10000.0 147.0289 6900.0 154.9971 3800.0 170.9857 2600.0 173.007 14000.0 191.0192 68000.0 191.0556 4700.0 END IONS BEGIN IONS SCANS=1289 PEPMASS=169.9797 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 11000.0 68.9793 2300.0 85.0027 590000.0 88.2913 2200.0 92.0115 2400.0 96.8904 4600.0 98.1114 2500.0 101.7412 2300.0 140.789 2200.0 169.8679 3600.0 176.8336 2000.0 END IONS BEGIN IONS SCANS=1290 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 50.1056 26000.0 50.5232 24000.0 51.6731 23000.0 57.992 300000.0 58.6565 22000.0 68.0002 46000.0 70.9231 24000.0 76.6577 26000.0 85.0028 5100000.0 96.8883 36000.0 END IONS BEGIN IONS SCANS=1291 PEPMASS=192.9961 CHARGE=-1 COLLISION_ENERGY=0.0 52.5117 2300.0 54.5394 2400.0 54.5625 2200.0 62.9411 2400.0 69.4131 2200.0 85.0027 540000.0 89.2063 2100.0 98.7396 2200.0 111.4694 2400.0 116.3278 2100.0 148.9319 2200.0 149.0042 2000.0 192.9905 2400.0 193.0865 9800.0 195.6402 2200.0 END IONS BEGIN IONS SCANS=1292 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 50.1056 26000.0 50.5232 24000.0 51.6731 23000.0 57.992 300000.0 58.6565 22000.0 68.0002 46000.0 70.9231 24000.0 76.6577 26000.0 85.0028 5100000.0 96.8883 36000.0 END IONS BEGIN IONS SCANS=1293 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 56.4448 18000.0 57.9921 390000.0 60.4149 19000.0 68.0 22000.0 79.9698 19000.0 84.9921 66000.0 85.0028 8900000.0 85.0135 54000.0 96.8903 30000.0 END IONS BEGIN IONS SCANS=1294 PEPMASS=158.9778 CHARGE=-1 COLLISION_ENERGY=0.0 58.9973 28000.0 70.9973 330000.0 75.8238 22000.0 86.9921 1100000.0 93.4922 21000.0 95.9216 21000.0 96.8883 43000.0 102.9872 3500000.0 105.1467 20000.0 114.987 910000.0 130.9823 8400000.0 131.9826 37000.0 141.2467 18000.0 150.1877 21000.0 153.7225 22000.0 158.9771 280000.0 168.185 20000.0 END IONS BEGIN IONS SCANS=1295 PEPMASS=114.9868 CHARGE=-1 COLLISION_ENERGY=0.0 58.9975 2800.0 59.4519 2800.0 70.9974 8500.0 73.0391 2500.0 84.1154 2400.0 86.7377 2400.0 86.9921 34000.0 96.8889 2800.0 102.9872 400000.0 115.0284 3300.0 124.7583 2300.0 130.9818 19000.0 END IONS BEGIN IONS SCANS=1296 PEPMASS=159.978 CHARGE=-1 COLLISION_ENERGY=0.0 59.9982 4900.0 64.816 3000.0 70.9972 2900.0 71.9979 14000.0 73.0988 3700.0 86.9921 9600.0 87.9928 56000.0 96.8884 15000.0 102.9869 100000.0 103.9879 630000.0 104.9845 9300.0 115.9879 37000.0 127.7607 3100.0 130.9819 100000.0 131.9569 4800.0 131.9834 1600000.0 132.9789 17000.0 133.9876 5500.0 144.4113 3500.0 159.9782 44000.0 END IONS BEGIN IONS SCANS=1297 PEPMASS=111.987 CHARGE=-1 COLLISION_ENERGY=0.0 51.5212 2700.0 53.4648 1800.0 83.6548 1800.0 83.9926 3000.0 85.0027 11000.0 87.0723 2400.0 96.8918 2200.0 99.9875 69000.0 112.0137 12000.0 127.982 5600.0 END IONS BEGIN IONS SCANS=1298 PEPMASS=155.9777 CHARGE=-1 COLLISION_ENERGY=0.0 54.2414 3300.0 67.9975 5200.0 71.679 3600.0 83.9924 40000.0 96.8869 4300.0 96.8928 3000.0 99.9876 540000.0 104.5711 3400.0 111.9875 120000.0 119.3849 3700.0 127.9576 5000.0 127.9827 2000000.0 128.0081 6400.0 155.9771 59000.0 173.9397 4000.0 END IONS BEGIN IONS SCANS=1299 PEPMASS=386.9374 CHARGE=-1 COLLISION_ENERGY=0.0 51.6964 2300.0 54.0653 2200.0 66.7088 2300.0 72.9341 2400.0 78.7206 2600.0 102.9871 3500.0 114.9872 8600.0 130.9817 77000.0 158.9583 3000.0 158.9613 4700.0 158.977 190000.0 158.9932 4300.0 158.9955 2200.0 216.9687 5300.0 244.963 2500.0 272.9585 120000.0 284.8177 2400.0 348.9072 2500.0 END IONS BEGIN IONS SCANS=1300 PEPMASS=272.9594 CHARGE=-1 COLLISION_ENERGY=0.0 50.6604 6500.0 52.9014 5200.0 55.6837 5600.0 70.9973 18000.0 86.992 68000.0 96.8891 10000.0 100.0924 5400.0 102.987 180000.0 114.987 260000.0 130.961 12000.0 130.982 2000000.0 131.0021 8500.0 132.9865 6800.0 153.381 5400.0 156.979 7100.0 157.9735 8500.0 158.9772 3400000.0 188.9737 26000.0 197.4685 6000.0 216.9674 75000.0 225.6107 6100.0 228.9698 8200.0 244.9622 33000.0 265.2551 7100.0 272.9579 180000.0 290.6236 6800.0 END IONS BEGIN IONS SCANS=1301 PEPMASS=269.958 CHARGE=-1 COLLISION_ENERGY=0.0 50.444 2400.0 50.5849 2100.0 52.1227 2400.0 66.5172 2300.0 96.8885 2300.0 99.9875 18000.0 111.9874 39000.0 127.9687 3100.0 127.9711 4600.0 127.9822 260000.0 155.9776 550000.0 213.9692 4400.0 253.9702 2500.0 269.9605 21000.0 END IONS BEGIN IONS SCANS=1302 PEPMASS=130.9814 CHARGE=-1 COLLISION_ENERGY=0.0 52.9258 2000.0 61.4656 2100.0 65.9973 3000.0 77.3147 1900.0 77.3193 1900.0 77.6996 2000.0 84.5001 2300.0 94.6294 2200.0 96.8856 2900.0 96.8915 3300.0 97.4891 2200.0 98.5331 2000.0 108.5414 1900.0 112.946 2300.0 118.1515 2100.0 130.7578 2100.0 131.035 9200.0 133.1831 2100.0 149.7282 2300.0 END IONS BEGIN IONS SCANS=1303 PEPMASS=312.965 CHARGE=-1 COLLISION_ENERGY=0.0 58.1759 2300.0 85.0027 390000.0 85.1544 2400.0 87.0637 2300.0 93.2553 2400.0 99.7949 2600.0 109.4872 2300.0 109.5533 2200.0 127.0205 2700.0 130.9821 21000.0 152.2717 2500.0 158.9771 39000.0 168.0685 2600.0 170.9886 4900.0 198.9838 300000.0 312.9658 37000.0 END IONS BEGIN IONS SCANS=1304 PEPMASS=289.9485 CHARGE=-1 COLLISION_ENERGY=0.0 51.5133 2900.0 58.7375 2300.0 61.9869 170000.0 63.0327 2300.0 69.3421 2500.0 83.7172 2200.0 96.8881 4400.0 98.3853 2500.0 116.0908 2700.0 130.982 3000.0 131.9779 8000.0 145.3689 2400.0 147.9723 69000.0 174.9556 2300.0 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293.2133 44000.0 302.044 2700.0 END IONS BEGIN IONS SCANS=24 PEPMASS=313.0727 CHARGE=-1 COLLISION_ENERGY=0.0 50.0477 2500.0 60.6234 2500.0 72.5871 3800.0 72.5907 3600.0 87.9484 2200.0 92.5841 2300.0 96.3461 2200.0 96.8907 14000.0 115.6255 2400.0 135.6003 3000.0 155.9144 2600.0 202.2184 2300.0 227.0354 9200.0 255.0293 87000.0 269.0454 8000.0 270.0535 75000.0 272.446 2600.0 273.139 3300.0 282.0179 8100.0 283.0256 27000.0 285.0773 7100.0 297.0405 24000.0 298.0489 320000.0 313.0723 480000.0 END IONS BEGIN IONS SCANS=25 PEPMASS=297.077 CHARGE=-1 COLLISION_ENERGY=0.0 57.2357 2200.0 61.3766 2300.0 65.9579 2400.0 72.9787 2400.0 95.8414 2200.0 96.8869 4400.0 101.349 2800.0 108.2094 2500.0 182.324 2400.0 204.0994 2300.0 211.0399 7500.0 239.0344 63000.0 254.058 46000.0 267.0295 16000.0 268.9512 2700.0 269.0821 5200.0 276.6774 2200.0 282.0179 6900.0 282.0529 170000.0 297.0425 9100.0 297.077 320000.0 297.1493 18000.0 297.2415 9300.0 306.5185 2700.0 END IONS BEGIN IONS SCANS=26 PEPMASS=431.1833 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IONS SCANS=29 PEPMASS=267.0649 CHARGE=-1 COLLISION_ENERGY=0.0 51.518 2300.0 56.2551 2200.0 58.0683 2200.0 69.0651 2200.0 73.1862 2300.0 75.7744 2400.0 100.6278 2400.0 129.0794 2400.0 132.0196 3000.0 143.9647 2400.0 208.0528 3000.0 223.0403 8100.0 223.1661 2300.0 251.035 4200.0 252.0426 170000.0 255.7143 2900.0 267.0663 210000.0 END IONS BEGIN IONS SCANS=30 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.534 18000.0 57.9921 260000.0 63.34 13000.0 68.0 19000.0 69.1323 14000.0 74.8101 13000.0 84.9891 19000.0 85.0029 5800000.0 85.0135 36000.0 END IONS BEGIN IONS SCANS=31 PEPMASS=108.0072 CHARGE=-1 COLLISION_ENERGY=0.0 52.018 2200.0 63.9253 2000.0 64.0052 2500.0 65.0131 7700.0 65.9972 12000.0 77.5424 2400.0 80.0126 38000.0 90.0082 44000.0 96.8898 2700.0 107.9965 2700.0 108.0075 160000.0 108.0176 16000.0 END IONS BEGIN IONS SCANS=32 PEPMASS=121.0275 CHARGE=-1 COLLISION_ENERGY=0.0 58.9974 2300.0 64.3183 2300.0 64.881 1900.0 68.2917 2000.0 71.6901 2300.0 72.3294 2100.0 93.0329 5200.0 96.8882 3200.0 105.2798 2300.0 107.7821 2100.0 108.0203 7400.0 108.4975 2200.0 109.2289 2200.0 121.0042 3600.0 121.028 570000.0 125.4135 2900.0 END IONS BEGIN IONS SCANS=33 PEPMASS=141.0183 CHARGE=-1 COLLISION_ENERGY=0.0 51.5264 2400.0 65.0131 2700.0 66.5594 2000.0 68.6535 1900.0 68.9968 3400.0 71.0123 4700.0 85.0278 3100.0 89.5711 1800.0 94.6778 1800.0 96.8895 2900.0 99.0071 51000.0 110.453 2300.0 114.0083 20000.0 127.9298 3000.0 141.019 31000.0 END IONS BEGIN IONS SCANS=34 PEPMASS=242.1583 CHARGE=-1 COLLISION_ENERGY=0.0 54.8351 2400.0 68.2416 2400.0 68.9889 2700.0 94.9861 3300.0 97.6985 2600.0 99.9168 6600.0 116.5411 2400.0 116.918 3600.0 116.9859 12000.0 128.9858 7600.0 164.844 3200.0 166.9798 3200.0 167.0534 2400.0 178.9993 3400.0 181.1455 190000.0 182.149 13000.0 182.9734 9500.0 202.9782 7400.0 202.9962 3000.0 222.983 5700.0 223.0023 4200.0 224.1487 17000.0 225.1326 110000.0 225.1545 4700.0 226.1353 7100.0 242.1328 5500.0 242.1582 300000.0 242.9692 13000.0 242.99 4300.0 243.1413 24000.0 243.162 27000.0 254.6571 2300.0 END IONS BEGIN IONS SCANS=35 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 56.0095 2900.0 58.9791 3100.0 59.0792 3300.0 59.2818 2800.0 68.6845 3000.0 71.1348 3200.0 104.0241 9800.0 END IONS BEGIN IONS SCANS=36 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.881 20000.0 57.9921 340000.0 74.5515 22000.0 85.0029 7200000.0 93.9092 21000.0 96.8865 26000.0 END IONS BEGIN IONS SCANS=37 PEPMASS=200.0552 CHARGE=-1 COLLISION_ENERGY=0.0 56.16 2300.0 59.0125 170000.0 68.9967 18000.0 71.0127 10000.0 71.8277 2100.0 72.6569 2200.0 74.0212 2400.0 96.8904 2900.0 112.0387 24000.0 136.1558 2000.0 140.0341 140000.0 END IONS BEGIN IONS SCANS=38 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 53.3993 25000.0 55.7459 28000.0 57.9919 420000.0 60.459 25000.0 68.0003 27000.0 71.9507 33000.0 85.0028 9100000.0 END IONS BEGIN IONS SCANS=39 PEPMASS=187.0831 CHARGE=-1 COLLISION_ENERGY=0.0 57.029 19000.0 59.0079 5300.0 59.7312 2300.0 70.987 2700.0 71.6208 2600.0 72.0168 2600.0 83.0426 3100.0 92.9874 11000.0 95.0416 5100.0 96.8959 4900.0 97.0508 2900.0 97.0573 68000.0 98.0605 3000.0 98.9966 6300.0 99.9171 11000.0 99.9403 12000.0 99.9831 2400.0 102.9202 3400.0 102.991 5000.0 115.9106 5000.0 116.9186 6000.0 116.9858 10000.0 119.9218 6500.0 123.0712 31000.0 125.0867 720000.0 126.09 46000.0 126.9895 3100.0 141.1169 2400.0 143.0596 3500.0 143.0963 11000.0 143.8867 4800.0 143.927 4200.0 146.9942 10000.0 158.8804 3100.0 158.9743 6600.0 159.8808 4900.0 166.9798 11000.0 166.9996 3300.0 186.8416 4700.0 186.9681 9900.0 186.9849 8100.0 187.0478 4000.0 187.0831 260000.0 187.1183 4200.0 188.0861 15000.0 200.9756 2600.0 END IONS BEGIN IONS SCANS=40 PEPMASS=187.095 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 4100.0 85.0032 2200.0 89.3519 2200.0 96.8876 2900.0 97.0641 18000.0 99.9475 7000.0 113.1334 2200.0 116.1259 2300.0 117.3627 2000.0 123.0802 6900.0 125.0825 3200.0 125.0955 250000.0 141.8653 2300.0 143.1068 5200.0 145.8737 2200.0 169.0863 2300.0 183.2612 2200.0 187.0967 130000.0 END IONS BEGIN IONS SCANS=41 PEPMASS=310.9457 CHARGE=-1 COLLISION_ENERGY=0.0 51.5344 2600.0 57.6087 2200.0 63.9748 2400.0 80.5328 2100.0 80.8949 2600.0 83.9949 16000.0 85.0027 77000.0 87.9237 7000.0 96.8906 4600.0 102.9345 5400.0 103.9188 6800.0 104.9265 4700.0 105.9345 7800.0 110.0562 2400.0 111.9354 6900.0 113.9267 3100.0 115.9423 35000.0 123.9444 33000.0 124.9429 3300.0 128.9382 10000.0 129.9227 2800.0 131.9376 3100.0 133.1727 2400.0 140.9379 5200.0 147.9566 4000.0 148.941 5200.0 173.9351 4200.0 183.9451 8500.0 191.9468 15000.0 241.936 3300.0 242.9456 6600.0 243.9534 6000.0 259.9487 24000.0 310.9495 6200.0 311.1694 42000.0 316.9406 2400.0 END IONS BEGIN IONS SCANS=42 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 280000.0 58.1552 22000.0 66.5747 17000.0 73.7104 21000.0 85.0027 5400000.0 85.0133 39000.0 91.703 19000.0 96.8861 35000.0 96.8915 23000.0 END IONS BEGIN IONS SCANS=43 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 63.858 5000.0 67.2975 4600.0 71.6205 6600.0 78.5506 5800.0 86.0026 4900.0 88.4176 4800.0 104.0239 19000.0 END IONS BEGIN IONS SCANS=44 PEPMASS=103.0158 CHARGE=-1 COLLISION_ENERGY=0.0 51.5161 2000.0 59.0124 83000.0 60.4603 2100.0 75.068 2500.0 76.0051 15000.0 103.016 39000.0 112.3752 2500.0 END IONS BEGIN IONS SCANS=45 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 330000.0 59.2407 25000.0 60.0019 21000.0 65.524 26000.0 72.3791 21000.0 85.0028 7800000.0 85.0135 49000.0 94.8832 23000.0 96.8884 33000.0 END IONS BEGIN IONS SCANS=46 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.2416 3800.0 57.8762 3300.0 58.924 3600.0 95.2894 3500.0 95.6217 3900.0 98.6957 3900.0 104.024 9600.0 114.8984 4100.0 END IONS BEGIN IONS SCANS=47 PEPMASS=173.0683 CHARGE=-1 COLLISION_ENERGY=0.0 51.5685 2200.0 57.029 13000.0 59.0079 4000.0 60.4333 2200.0 66.9923 2200.0 68.9892 2600.0 73.689 2100.0 82.0279 2300.0 83.0379 4100.0 83.0426 44000.0 85.4362 2800.0 99.9169 48000.0 100.9249 14000.0 102.9908 3400.0 104.9866 20000.0 109.0567 6400.0 110.9992 6800.0 111.072 410000.0 112.0752 24000.0 115.9108 30000.0 116.9105 2500.0 116.9185 42000.0 121.4774 2000.0 124.9923 6400.0 127.1018 3100.0 127.481 2400.0 129.0814 22000.0 129.9254 2500.0 132.9797 26000.0 139.2728 2800.0 152.9846 34000.0 172.9897 5000.0 173.0685 130000.0 173.1033 3900.0 174.0579 2500.0 174.0705 11000.0 END IONS BEGIN IONS SCANS=48 PEPMASS=103.0135 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 260000.0 64.4589 2100.0 65.6111 2100.0 76.005 26000.0 76.9569 2200.0 86.3973 2000.0 86.6696 2100.0 92.3393 2300.0 95.3275 2000.0 96.8864 1800.0 103.0162 80000.0 103.0278 1900.0 103.0381 2400.0 111.8217 2000.0 END IONS BEGIN IONS SCANS=49 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 50.0022 6100.0 51.5338 7400.0 60.0156 7600.0 68.7468 5900.0 96.8884 7100.0 104.0243 15000.0 124.3608 7100.0 END IONS BEGIN IONS SCANS=50 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.4445 4500.0 51.5333 4200.0 54.5862 4000.0 63.3198 4100.0 66.9216 4000.0 68.3451 3600.0 69.0749 3500.0 73.544 3800.0 96.8891 10000.0 104.0238 13000.0 118.3159 4100.0 END IONS BEGIN IONS SCANS=51 PEPMASS=186.0991 CHARGE=-1 COLLISION_ENERGY=0.0 52.4745 2100.0 53.3863 2300.0 57.0289 32000.0 68.9891 3200.0 69.028 3600.0 70.9872 4200.0 71.0434 2800.0 83.0428 3000.0 87.9172 3800.0 92.9875 12000.0 95.0419 2600.0 96.8964 3700.0 97.0573 130000.0 97.5664 2500.0 97.9616 12000.0 98.0608 5900.0 98.9965 4800.0 99.917 6700.0 102.9912 4900.0 115.9109 4100.0 116.9852 12000.0 117.9188 3600.0 118.9168 4900.0 119.922 5200.0 123.0713 48000.0 124.0746 2500.0 125.0867 1200000.0 125.1056 9100.0 126.09 75000.0 126.9893 5300.0 138.9882 3100.0 142.112 42000.0 142.8862 3000.0 143.0959 8700.0 143.1153 2700.0 146.9945 11000.0 158.88 3900.0 158.9745 3300.0 166.9794 13000.0 166.9999 5200.0 168.0897 23000.0 178.058 3300.0 186.0991 720000.0 186.8412 4400.0 186.9677 14000.0 186.9848 11000.0 187.0831 21000.0 187.1022 56000.0 187.1183 2300.0 END IONS BEGIN IONS SCANS=52 PEPMASS=84.995 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 240000.0 71.7042 22000.0 85.0029 5800000.0 87.8961 23000.0 96.8877 44000.0 END IONS BEGIN IONS SCANS=53 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.5209 26000.0 57.9921 330000.0 68.8832 22000.0 80.1761 23000.0 85.0029 7500000.0 85.0135 44000.0 88.1924 23000.0 96.8882 28000.0 103.7606 21000.0 END IONS BEGIN IONS SCANS=54 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 57.1622 24000.0 57.9921 380000.0 61.872 24000.0 63.5179 27000.0 68.0 37000.0 83.2556 23000.0 85.0029 7100000.0 85.0135 34000.0 91.9714 30000.0 96.8888 45000.0 99.1558 27000.0 END IONS BEGIN IONS SCANS=55 PEPMASS=102.0126 CHARGE=-1 COLLISION_ENERGY=0.0 79.5436 2400.0 96.8888 3800.0 97.8138 2400.0 102.0081 32000.0 END IONS BEGIN IONS SCANS=56 PEPMASS=267.0284 CHARGE=-1 COLLISION_ENERGY=0.0 58.6156 2400.0 64.0181 2500.0 96.888 4300.0 99.6943 2400.0 136.8511 2500.0 167.0492 2700.0 211.0394 8600.0 223.0398 3300.0 239.0347 19000.0 266.0216 36000.0 266.9702 4500.0 266.9786 3500.0 267.0295 830000.0 END IONS BEGIN IONS 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96.8888 9500.0 103.016 64000.0 103.0276 2200.0 106.2355 1900.0 120.0274 2200.0 END IONS BEGIN IONS SCANS=61 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 51.5153 5100.0 57.7145 4300.0 60.5526 4300.0 65.9034 4900.0 86.5764 5100.0 96.887 9200.0 104.024 15000.0 119.3021 4500.0 END IONS BEGIN IONS SCANS=62 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 53.1953 2200.0 55.3003 2000.0 61.3839 2400.0 61.4491 2000.0 65.0131 850000.0 68.4059 2100.0 80.8879 2100.0 96.8912 3500.0 102.9722 2600.0 118.991 3500.0 162.8385 9300.0 END IONS BEGIN IONS SCANS=63 PEPMASS=310.9456 CHARGE=-9 COLLISION_ENERGY=0.0 191.946 9100.0 259.9485 8200.0 281.0073 3100.0 296.033 11000.0 311.0567 12000.0 311.1677 28000.0 741.124 2800.0 1799.512 3000.0 END IONS BEGIN IONS SCANS=64 PEPMASS=172.0843 CHARGE=-1 COLLISION_ENERGY=0.0 51.5444 2900.0 57.0289 19000.0 58.0241 4900.0 60.491 2700.0 66.9925 2500.0 78.8886 2300.0 81.027 4600.0 82.9866 3500.0 83.0426 64000.0 84.0461 4000.0 89.0099 2400.0 92.9877 3000.0 96.8937 2900.0 99.9171 8500.0 100.9176 2800.0 102.9907 3200.0 104.9865 26000.0 107.5398 2500.0 109.0565 8100.0 110.9992 8200.0 111.0562 3200.0 111.072 630000.0 112.0751 35000.0 114.9238 5600.0 115.9108 4800.0 124.9916 4200.0 127.102 2800.0 128.0885 4600.0 128.0973 53000.0 129.0815 20000.0 132.9796 31000.0 134.8546 3800.0 152.9846 35000.0 153.0038 3600.0 154.0745 15000.0 155.0592 3500.0 158.5701 2300.0 171.933 3400.0 172.0843 350000.0 172.9901 8100.0 173.0684 16000.0 173.0877 30000.0 178.389 3300.0 END IONS BEGIN IONS SCANS=65 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.1528 6600.0 54.648 7300.0 56.3325 7400.0 76.0256 7300.0 82.6785 7900.0 96.8877 8800.0 104.0241 23000.0 121.5279 7700.0 END IONS BEGIN IONS SCANS=66 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 56.8924 26000.0 57.9921 320000.0 85.0028 7100000.0 85.0135 47000.0 96.8887 39000.0 END IONS BEGIN IONS SCANS=67 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 50.8573 20000.0 54.3055 18000.0 57.9922 340000.0 64.6154 23000.0 71.6175 19000.0 84.9926 36000.0 84.994 26000.0 85.0029 7500000.0 95.9752 20000.0 100.3988 22000.0 END IONS BEGIN IONS SCANS=68 PEPMASS=84.9961 CHARGE=-1 COLLISION_ENERGY=0.0 51.5308 20000.0 56.0673 18000.0 57.992 250000.0 69.7114 20000.0 78.7649 21000.0 79.138 20000.0 85.0029 5600000.0 85.0134 39000.0 90.8303 18000.0 96.8882 21000.0 END IONS BEGIN IONS SCANS=69 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 52.9098 25000.0 52.9923 22000.0 56.4399 22000.0 57.992 450000.0 58.5007 26000.0 66.4588 24000.0 68.0004 30000.0 81.9451 23000.0 84.0086 25000.0 85.0028 9000000.0 85.0133 44000.0 96.8902 36000.0 END IONS BEGIN IONS SCANS=70 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.3474 20000.0 51.516 20000.0 52.1597 19000.0 57.9922 320000.0 68.0004 22000.0 77.9184 22000.0 85.0029 6400000.0 88.0722 22000.0 96.8889 24000.0 END IONS BEGIN IONS SCANS=71 PEPMASS=145.0485 CHARGE=-1 COLLISION_ENERGY=0.0 52.3758 2100.0 55.464 2200.0 56.5608 2000.0 57.3134 1900.0 60.4817 2000.0 66.1119 2300.0 67.0543 2000.0 83.0486 18000.0 97.9524 2000.0 101.0592 99000.0 112.0813 2300.0 127.0391 3500.0 145.0134 2600.0 145.025 3200.0 145.0493 25000.0 153.6031 2500.0 END IONS BEGIN IONS SCANS=72 PEPMASS=104.0279 CHARGE=-1 COLLISION_ENERGY=0.0 51.5084 5800.0 53.2826 6300.0 58.0733 5200.0 63.4355 5200.0 68.3874 5800.0 73.399 5400.0 74.0546 5300.0 74.4342 5300.0 92.0295 6700.0 104.0242 18000.0 END IONS BEGIN IONS SCANS=73 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 51.4627 7000.0 51.5234 7700.0 54.5957 8500.0 56.1057 7500.0 60.0159 7600.0 60.5541 6400.0 61.4937 8900.0 61.7314 5900.0 62.4278 7100.0 62.9 6400.0 69.5085 7000.0 70.4971 7500.0 71.146 6400.0 96.8882 11000.0 104.024 13000.0 111.7597 7000.0 END IONS BEGIN IONS SCANS=74 PEPMASS=128.0105 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 2900.0 70.1073 2100.0 73.3496 2000.0 76.0051 7300.0 90.7883 2400.0 92.3662 2100.0 96.8896 3100.0 102.0079 4600.0 128.011 330000.0 END IONS BEGIN IONS SCANS=75 PEPMASS=310.9468 CHARGE=-1 COLLISION_ENERGY=0.0 51.5014 3000.0 53.9177 2400.0 60.3443 2200.0 60.4666 2000.0 64.8958 2200.0 83.9947 14000.0 85.0027 72000.0 87.9238 7700.0 96.8876 9900.0 96.8954 2300.0 101.8668 2300.0 102.9346 4400.0 103.919 5700.0 104.9266 7800.0 105.9342 7600.0 106.2087 2500.0 106.942 2400.0 111.9347 3100.0 113.203 2700.0 115.9422 35000.0 123.9444 27000.0 124.9427 3000.0 128.9382 9500.0 129.9449 2300.0 140.9379 3300.0 147.957 3300.0 148.9406 5300.0 150.1266 2400.0 173.9351 4300.0 181.2829 2200.0 183.9444 11000.0 191.9462 20000.0 194.5005 2400.0 241.9392 2600.0 242.9465 7500.0 243.9534 6100.0 259.9467 29000.0 310.9478 6100.0 311.1694 40000.0 END IONS BEGIN IONS SCANS=76 PEPMASS=103.0138 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 4800.0 58.0244 2800.0 59.0126 320000.0 63.7145 1900.0 67.3599 2100.0 76.0052 40000.0 84.1204 1900.0 88.0051 2900.0 96.8877 3000.0 103.0162 88000.0 103.028 3500.0 121.5507 2600.0 END IONS BEGIN IONS SCANS=77 PEPMASS=93.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.5346 2600.0 56.2958 2100.0 56.7945 2000.0 64.0051 18000.0 65.0131 290000.0 65.997 130000.0 66.009 2200.0 66.0162 6400.0 75.0755 2100.0 92.9959 3400.0 93.0079 610000.0 93.019 17000.0 93.0268 4700.0 96.8892 3000.0 END IONS BEGIN IONS SCANS=78 PEPMASS=90.0078 CHARGE=-1 COLLISION_ENERGY=0.0 77.8513 2100.0 90.0082 290000.0 94.3082 2100.0 96.8897 3500.0 98.9296 2000.0 END IONS BEGIN IONS SCANS=79 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 52.1036 2800.0 53.0921 2300.0 68.0249 2700.0 71.9539 3600.0 91.4763 2400.0 92.6026 2200.0 96.6159 2300.0 96.8875 2500.0 102.008 34000.0 107.0304 2500.0 107.4852 2600.0 113.7034 2700.0 END IONS BEGIN IONS SCANS=80 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.4415 4900.0 51.1074 4400.0 53.3393 4600.0 55.1482 4400.0 56.0036 4800.0 56.2251 4300.0 57.7924 3900.0 57.936 3900.0 58.6387 3800.0 58.7869 3700.0 59.0127 5100.0 60.0126 4800.0 60.2846 3900.0 61.8766 4100.0 62.7504 4300.0 64.258 3700.0 64.2803 4500.0 65.4141 4900.0 65.8463 4500.0 65.869 4800.0 66.6001 4900.0 66.6999 4000.0 67.012 4300.0 67.0207 5400.0 68.2305 4500.0 68.3271 4300.0 71.147 4500.0 71.6618 5000.0 73.6481 4700.0 75.032 4700.0 76.5729 4000.0 76.7493 4200.0 76.9926 5500.0 82.5277 4000.0 83.715 4400.0 90.3503 4200.0 93.3692 4400.0 93.5332 4000.0 94.1251 4300.0 94.4947 4300.0 96.8871 5100.0 96.9714 3900.0 97.9511 4600.0 99.1623 4500.0 99.4158 5200.0 103.345 4800.0 104.0241 17000.0 104.0961 4100.0 109.0748 5100.0 109.2776 4200.0 109.7877 4000.0 109.8484 4000.0 110.7506 4500.0 111.0563 4300.0 111.6158 5100.0 112.8831 5100.0 113.1494 4500.0 113.7478 4000.0 115.0932 4000.0 115.1304 4300.0 123.8903 5000.0 124.2666 4400.0 END IONS BEGIN IONS SCANS=81 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.4204 25000.0 57.9921 400000.0 60.4582 30000.0 64.9474 22000.0 66.4949 22000.0 76.6932 23000.0 80.1743 24000.0 85.0028 7700000.0 END IONS BEGIN IONS SCANS=82 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 55.8539 29000.0 57.9921 390000.0 67.9999 40000.0 85.0029 8500000.0 85.0135 51000.0 92.5684 31000.0 96.889 36000.0 END IONS BEGIN IONS SCANS=83 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.1435 9800.0 58.6055 11000.0 60.4727 11000.0 62.2837 14000.0 71.9646 13000.0 91.6383 9600.0 96.8907 16000.0 100.7838 12000.0 104.0237 20000.0 120.1956 10000.0 END IONS BEGIN IONS SCANS=84 PEPMASS=163.0239 CHARGE=-1 COLLISION_ENERGY=0.0 53.1663 2100.0 53.5677 1900.0 53.8574 2300.0 55.802 2200.0 64.6315 1900.0 65.0061 3200.0 65.0132 570000.0 65.0204 3000.0 93.9492 2300.0 107.8549 2400.0 118.9913 3000.0 119.0484 44000.0 136.4955 2200.0 158.7954 2100.0 162.8377 13000.0 163.0393 5200.0 176.3652 2400.0 END IONS BEGIN IONS SCANS=85 PEPMASS=103.0157 CHARGE=-1 COLLISION_ENERGY=0.0 51.5359 2400.0 59.0123 76000.0 59.3584 1900.0 75.1388 2600.0 76.0049 28000.0 76.7678 1900.0 87.2967 1800.0 93.0869 1900.0 103.0159 52000.0 103.028 3400.0 103.81 2100.0 114.5351 2300.0 120.0307 2100.0 124.1151 2200.0 END IONS BEGIN IONS SCANS=86 PEPMASS=109.9975 CHARGE=-1 COLLISION_ENERGY=0.0 64.0053 76000.0 65.6777 1800.0 68.0126 2200.0 70.5765 2000.0 80.0 4700.0 90.1054 2100.0 96.8888 4400.0 97.1329 1900.0 100.6711 2200.0 106.7391 2100.0 109.9979 94000.0 110.0344 5600.0 122.4831 2000.0 END IONS BEGIN IONS SCANS=87 PEPMASS=102.0085 CHARGE=-1 COLLISION_ENERGY=0.0 53.7844 4000.0 54.3594 4200.0 85.4851 4600.0 96.2931 4000.0 96.8876 8200.0 102.008 51000.0 116.9767 4100.0 END IONS BEGIN IONS SCANS=88 PEPMASS=103.015 CHARGE=-1 COLLISION_ENERGY=0.0 56.1272 2200.0 59.0126 250000.0 71.2141 2500.0 76.0051 35000.0 96.889 2400.0 103.0162 95000.0 103.0281 3200.0 END IONS BEGIN IONS SCANS=89 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 60.3461 8000.0 60.4758 7900.0 61.4802 7300.0 69.618 7500.0 104.0241 19000.0 109.2417 6800.0 113.031 6800.0 END IONS BEGIN IONS SCANS=90 PEPMASS=102.0123 CHARGE=-1 COLLISION_ENERGY=0.0 59.194 1800.0 85.9421 1900.0 89.3254 1900.0 101.932 2200.0 102.0081 34000.0 115.285 2200.0 END IONS BEGIN IONS SCANS=91 PEPMASS=103.0125 CHARGE=-1 COLLISION_ENERGY=0.0 50.8257 2100.0 59.0124 140000.0 60.6158 2100.0 62.4401 2000.0 62.5012 1800.0 68.5914 2000.0 76.0048 34000.0 78.8265 1900.0 96.8892 4200.0 103.016 82000.0 103.028 2300.0 END IONS BEGIN IONS SCANS=92 PEPMASS=105.0265 CHARGE=-1 COLLISION_ENERGY=0.0 51.5221 2200.0 51.525 2100.0 53.6918 2200.0 54.7537 2000.0 60.4685 1800.0 61.0166 2200.0 62.0119 2200.0 74.7336 2300.0 91.9788 2200.0 92.1026 1900.0 96.8901 4100.0 104.0813 1800.0 105.0268 2400.0 END IONS BEGIN IONS SCANS=93 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 51.2618 27000.0 51.5264 28000.0 57.9921 510000.0 68.0004 29000.0 83.5263 27000.0 85.0028 9800000.0 85.0134 60000.0 96.8863 25000.0 102.5386 24000.0 END IONS BEGIN IONS SCANS=94 PEPMASS=141.0185 CHARGE=-1 COLLISION_ENERGY=0.0 55.2917 2000.0 57.504 1900.0 65.0131 18000.0 68.0481 2100.0 90.0077 3800.0 96.8893 2500.0 114.0081 130000.0 127.9298 9000.0 140.9382 4300.0 141.019 100000.0 151.9639 2300.0 END IONS BEGIN IONS SCANS=95 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 550000.0 61.3897 26000.0 68.0003 49000.0 71.1131 28000.0 85.0029 11000000.0 96.8904 53000.0 END IONS BEGIN IONS SCANS=96 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 52.9186 2000.0 61.7697 2000.0 67.2486 2100.0 87.6769 1800.0 98.693 2000.0 102.0083 18000.0 102.9018 2000.0 117.6023 2100.0 117.6225 2400.0 END IONS BEGIN IONS SCANS=97 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 380000.0 60.4636 32000.0 85.0028 8000000.0 96.8873 31000.0 END IONS BEGIN IONS SCANS=98 PEPMASS=219.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.2113 2000.0 57.0335 10000.0 59.0118 2500.0 67.0495 1900.0 71.0122 17000.0 72.9915 2300.0 73.028 2400.0 83.0125 5400.0 85.028 7000.0 96.8872 4100.0 99.0072 20000.0 111.0072 13000.0 112.9864 4700.0 113.4965 2300.0 120.0148 2200.0 123.2596 2100.0 129.0177 13000.0 132.8732 2200.0 167.2263 2400.0 173.2075 2300.0 173.9373 2200.0 191.2695 2500.0 END IONS BEGIN IONS SCANS=99 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 60.3461 8000.0 60.4758 7900.0 61.4802 7300.0 69.618 7500.0 104.0241 19000.0 109.2417 6800.0 113.031 6800.0 END IONS BEGIN IONS SCANS=100 PEPMASS=219.0141 CHARGE=-1 COLLISION_ENERGY=0.0 55.018 2700.0 57.0332 16000.0 67.0175 2700.0 68.997 2200.0 71.0123 20000.0 73.028 5500.0 83.0123 6000.0 85.0278 8600.0 96.8878 3200.0 97.2438 2100.0 99.0073 30000.0 101.6465 2100.0 107.4835 2400.0 111.0074 17000.0 129.0177 22000.0 180.0937 2600.0 205.7433 2200.0 END IONS BEGIN IONS SCANS=101 PEPMASS=102.014 CHARGE=-1 COLLISION_ENERGY=0.0 59.6602 2200.0 60.5136 2300.0 63.057 2100.0 83.1184 1900.0 96.8904 3300.0 102.0081 31000.0 111.4367 2000.0 112.0829 2400.0 END IONS BEGIN IONS SCANS=102 PEPMASS=84.9936 CHARGE=-1 COLLISION_ENERGY=0.0 51.083 27000.0 57.855 26000.0 57.9921 450000.0 67.7301 26000.0 68.0001 31000.0 85.0029 8300000.0 85.0135 36000.0 96.888 29000.0 END IONS BEGIN IONS SCANS=103 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.4415 4900.0 51.1074 4400.0 53.3393 4600.0 55.1482 4400.0 56.0036 4800.0 56.2251 4300.0 57.7924 3900.0 57.936 3900.0 58.6387 3800.0 58.7869 3700.0 59.0127 5100.0 60.0126 4800.0 60.2846 3900.0 61.8766 4100.0 62.7504 4300.0 64.258 3700.0 64.2803 4500.0 65.4141 4900.0 65.8463 4500.0 65.869 4800.0 66.6001 4900.0 66.6999 4000.0 67.012 4300.0 67.0207 5400.0 68.2305 4500.0 68.3271 4300.0 71.147 4500.0 71.6618 5000.0 73.6481 4700.0 75.032 4700.0 76.5729 4000.0 76.7493 4200.0 76.9926 5500.0 82.5277 4000.0 83.715 4400.0 90.3503 4200.0 93.3692 4400.0 93.5332 4000.0 94.1251 4300.0 94.4947 4300.0 96.8871 5100.0 96.9714 3900.0 97.9511 4600.0 99.1623 4500.0 99.4158 5200.0 103.345 4800.0 104.0241 17000.0 104.0961 4100.0 109.0748 5100.0 109.2776 4200.0 109.7877 4000.0 109.8484 4000.0 110.7506 4500.0 111.0563 4300.0 111.6158 5100.0 112.8831 5100.0 113.1494 4500.0 113.7478 4000.0 115.0932 4000.0 115.1304 4300.0 123.8903 5000.0 124.2666 4400.0 END IONS BEGIN IONS SCANS=104 PEPMASS=84.9971 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 440000.0 65.0681 29000.0 68.0 29000.0 77.3403 26000.0 79.2594 28000.0 85.0028 7300000.0 86.4032 22000.0 96.8898 36000.0 END IONS BEGIN IONS SCANS=105 PEPMASS=102.0147 CHARGE=-1 COLLISION_ENERGY=0.0 50.411 2300.0 67.6909 2200.0 79.7134 2400.0 85.1943 2800.0 92.7388 2700.0 102.0082 46000.0 107.4757 2500.0 END IONS BEGIN IONS SCANS=106 PEPMASS=103.0137 CHARGE=-1 COLLISION_ENERGY=0.0 51.5178 2400.0 54.9413 1800.0 59.0126 310000.0 68.2635 2500.0 76.0051 32000.0 88.004 2300.0 96.8864 2200.0 103.0161 85000.0 103.0276 2500.0 110.6334 2000.0 END IONS BEGIN IONS SCANS=107 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5595 9900.0 87.6356 12000.0 96.8855 12000.0 96.8912 26000.0 104.0241 21000.0 107.2935 12000.0 117.4918 11000.0 END IONS BEGIN IONS SCANS=108 PEPMASS=102.0117 CHARGE=-1 COLLISION_ENERGY=0.0 56.4465 2700.0 67.1326 2700.0 73.188 4700.0 94.6943 3000.0 96.8876 13000.0 102.0081 47000.0 107.7 3200.0 115.0499 2800.0 END IONS BEGIN IONS SCANS=109 PEPMASS=103.0154 CHARGE=-1 COLLISION_ENERGY=0.0 50.852 2000.0 52.629 1900.0 59.0125 160000.0 60.0302 1800.0 67.7156 2000.0 74.1542 2000.0 76.0051 29000.0 83.8242 2000.0 86.8175 2000.0 93.3002 1900.0 96.889 3700.0 100.4929 2000.0 101.0209 2300.0 103.006 2000.0 103.0162 82000.0 103.028 3600.0 108.1657 2100.0 END IONS BEGIN IONS SCANS=110 PEPMASS=103.0139 CHARGE=-1 COLLISION_ENERGY=0.0 50.0729 2000.0 57.2738 2000.0 58.3505 1800.0 59.0082 2900.0 59.0089 3600.0 59.0125 200000.0 65.7875 2100.0 76.0052 21000.0 93.2802 2200.0 96.8882 3000.0 98.0172 2800.0 103.0161 69000.0 103.0271 2600.0 END IONS BEGIN IONS SCANS=111 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 54.0928 26000.0 54.4179 24000.0 57.9921 490000.0 68.0002 32000.0 71.9448 31000.0 85.0028 10000000.0 85.0136 58000.0 89.5451 27000.0 END IONS BEGIN IONS SCANS=112 PEPMASS=163.0239 CHARGE=-1 COLLISION_ENERGY=0.0 52.4925 2300.0 65.0061 8200.0 65.0132 1200000.0 65.0188 7200.0 65.0203 8500.0 66.7248 2100.0 88.2144 2200.0 91.5067 2200.0 118.9909 6700.0 END IONS BEGIN IONS SCANS=113 PEPMASS=104.0328 CHARGE=-1 COLLISION_ENERGY=0.0 51.0079 8700.0 53.0077 7400.0 59.7381 8400.0 67.2972 8600.0 73.6555 8300.0 96.8912 8700.0 104.0238 28000.0 END IONS BEGIN IONS SCANS=114 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 85.0029 10000000.0 85.0135 63000.0 96.8895 42000.0 END IONS BEGIN IONS SCANS=115 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 51.3292 21000.0 51.5118 25000.0 56.2046 23000.0 57.9921 330000.0 59.6257 22000.0 62.821 22000.0 85.0029 7600000.0 85.0135 38000.0 88.2615 21000.0 89.2461 23000.0 96.8888 32000.0 END IONS BEGIN IONS SCANS=116 PEPMASS=130.0486 CHARGE=-1 COLLISION_ENERGY=0.0 51.0247 2100.0 53.2558 2300.0 53.7093 1900.0 63.2733 2100.0 75.8743 2000.0 77.9118 2100.0 88.0388 21000.0 103.0289 7700.0 130.0396 45000.0 END IONS BEGIN IONS SCANS=117 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 52.3475 6300.0 59.4161 6000.0 60.9236 8300.0 62.2433 6500.0 96.89 8600.0 104.0242 19000.0 114.0899 7000.0 END IONS BEGIN IONS SCANS=118 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 52.1466 6200.0 60.1606 6400.0 96.8881 9200.0 101.0901 6200.0 101.3921 6300.0 104.0248 11000.0 END IONS BEGIN IONS SCANS=119 PEPMASS=343.115 CHARGE=-1 COLLISION_ENERGY=0.0 53.9731 2300.0 59.008 9000.0 68.9887 2200.0 71.0071 9300.0 73.0226 7900.0 85.0217 7800.0 87.1087 2600.0 94.0916 2200.0 96.8951 9900.0 101.0156 21000.0 113.0144 4000.0 114.3047 2500.0 116.5311 2800.0 141.0485 2600.0 163.048 44000.0 219.279 2500.0 238.982 2400.0 297.1127 110000.0 298.1161 17000.0 END IONS BEGIN IONS SCANS=120 PEPMASS=93.0078 CHARGE=-1 COLLISION_ENERGY=0.0 50.7038 1900.0 57.5944 2400.0 64.0053 15000.0 65.0132 290000.0 65.9971 120000.0 66.0163 4600.0 74.7513 2100.0 92.6492 2000.0 93.0081 630000.0 93.0193 10000.0 93.0269 4800.0 103.3599 2600.0 END IONS BEGIN IONS SCANS=121 PEPMASS=103.0154 CHARGE=-1 COLLISION_ENERGY=0.0 57.0223 2200.0 59.0082 2600.0 59.009 4100.0 59.0125 220000.0 72.1306 1900.0 76.0051 38000.0 79.0 1900.0 91.9846 2300.0 96.889 3400.0 103.016 86000.0 103.027 1900.0 END IONS BEGIN IONS SCANS=122 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 50.3427 12000.0 56.6731 10000.0 63.8898 9500.0 64.6719 11000.0 71.959 12000.0 74.6092 12000.0 84.4852 9100.0 96.8893 22000.0 102.3333 11000.0 104.024 22000.0 END IONS BEGIN IONS SCANS=123 PEPMASS=104.0291 CHARGE=-1 COLLISION_ENERGY=0.0 50.2781 4200.0 50.3018 3800.0 50.622 4000.0 51.2792 5000.0 51.5386 4700.0 52.043 4400.0 52.7778 4500.0 53.0801 4700.0 53.4072 5000.0 53.4338 4400.0 54.4717 4200.0 55.293 4300.0 55.3097 4400.0 56.545 5100.0 57.8027 4300.0 58.1823 4200.0 58.2679 4300.0 59.5412 5300.0 60.0157 4100.0 61.3999 4500.0 62.5304 4200.0 62.6571 3800.0 62.8895 4900.0 64.0811 3900.0 64.6259 3900.0 65.7631 4200.0 67.353 4300.0 68.0944 4700.0 70.2006 4900.0 72.5683 4500.0 72.806 4300.0 73.1557 4800.0 75.899 5000.0 79.6755 4000.0 80.5307 4800.0 83.4342 4600.0 83.5453 3900.0 86.3588 4500.0 88.6338 4200.0 89.0145 4600.0 89.8844 4000.0 91.222 4300.0 92.6514 4500.0 92.9815 4700.0 93.4095 4600.0 93.4646 4200.0 94.6984 4000.0 97.8681 4400.0 101.7309 4600.0 103.6806 4200.0 104.024 20000.0 104.2471 4600.0 104.4121 4600.0 107.1555 4000.0 112.496 4700.0 113.8572 4500.0 115.9551 4900.0 122.719 4800.0 END IONS BEGIN IONS SCANS=124 PEPMASS=104.0329 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=125 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.0474 25000.0 54.5434 28000.0 55.7168 25000.0 57.9921 460000.0 66.6617 34000.0 68.0002 49000.0 69.3693 29000.0 76.1156 30000.0 84.9921 79000.0 84.9939 36000.0 85.0028 10000000.0 85.0132 41000.0 96.8903 36000.0 101.7476 28000.0 END IONS BEGIN IONS SCANS=126 PEPMASS=84.9996 CHARGE=-1 COLLISION_ENERGY=0.0 51.5363 26000.0 57.9921 400000.0 67.9999 39000.0 76.0986 27000.0 85.0027 7700000.0 85.4009 25000.0 96.8914 27000.0 END IONS BEGIN IONS SCANS=127 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 51.0507 1600.0 51.3953 1900.0 52.2958 1500.0 53.3908 1400.0 53.4938 1500.0 53.7339 1400.0 53.8909 1700.0 54.4547 1800.0 54.7768 1300.0 54.8751 2000.0 55.4141 1700.0 56.1018 1600.0 56.3075 1700.0 56.4919 1700.0 58.2725 1600.0 58.4678 1500.0 58.9307 1600.0 59.1141 1700.0 59.1641 1500.0 59.3855 1600.0 59.8318 1400.0 60.3504 1600.0 61.0168 1700.0 61.0795 1400.0 61.4456 1900.0 61.9069 1700.0 62.0206 1700.0 62.8356 2000.0 62.9095 1600.0 63.4058 1600.0 64.9921 1300.0 66.5095 1900.0 67.9171 1600.0 68.0906 1900.0 69.0946 1700.0 69.2592 1600.0 69.263 1600.0 69.9417 1600.0 70.8812 1600.0 71.9439 1900.0 72.0591 1500.0 72.2867 1700.0 72.377 1900.0 76.6771 2000.0 83.5047 1600.0 85.286 2000.0 86.4004 1600.0 87.5964 1800.0 87.8442 1700.0 90.6489 1600.0 92.0557 1700.0 93.8223 2100.0 95.3531 1900.0 95.9223 1800.0 96.887 3400.0 103.1865 2200.0 105.0261 1700.0 105.5918 1500.0 105.6084 1700.0 105.6565 1400.0 107.515 1400.0 110.4644 1600.0 112.5101 1700.0 115.8346 1500.0 116.3328 1800.0 116.9312 1900.0 116.9656 1800.0 117.8421 1600.0 118.3634 1600.0 121.6114 1500.0 122.8121 1900.0 123.6135 1900.0 124.8316 1900.0 END IONS BEGIN IONS SCANS=128 PEPMASS=102.0119 CHARGE=-1 COLLISION_ENERGY=0.0 52.9061 2300.0 56.9275 2200.0 59.0128 2400.0 63.9219 2200.0 65.7771 2800.0 74.5665 2200.0 76.3403 1900.0 76.8645 2400.0 96.8886 3400.0 102.0082 31000.0 108.2868 2200.0 END IONS BEGIN IONS SCANS=129 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 51.5299 28000.0 57.9921 360000.0 58.4856 22000.0 65.9355 23000.0 67.0459 23000.0 68.0001 32000.0 73.5578 20000.0 85.0028 7300000.0 END IONS BEGIN IONS SCANS=130 PEPMASS=89.0226 CHARGE=-1 COLLISION_ENERGY=0.0 50.2694 2000.0 52.4836 2000.0 53.5002 2500.0 54.3067 2000.0 58.5191 2100.0 61.0287 2100.0 62.0021 5200.0 63.0963 2300.0 71.0123 9100.0 71.3056 2300.0 87.0071 4000.0 89.0133 73000.0 89.0229 240000.0 90.0081 2400.0 93.7929 1900.0 END IONS BEGIN IONS SCANS=131 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 65.0061 8100.0 65.0131 1100000.0 83.148 2300.0 91.4782 2300.0 92.3813 2300.0 96.8876 3400.0 118.9911 3300.0 154.6559 2600.0 162.8377 23000.0 END IONS BEGIN IONS SCANS=132 PEPMASS=85.0062 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 400000.0 68.0004 25000.0 84.992 56000.0 85.0028 8100000.0 96.89 24000.0 END IONS BEGIN IONS SCANS=133 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.2197 29000.0 57.992 470000.0 67.6319 29000.0 67.9999 31000.0 71.4174 32000.0 82.4986 30000.0 83.9224 36000.0 85.0029 9400000.0 87.1793 30000.0 END IONS BEGIN IONS SCANS=134 PEPMASS=102.0144 CHARGE=-1 COLLISION_ENERGY=0.0 51.383 2900.0 51.5233 3900.0 53.4163 2900.0 63.622 2800.0 81.229 3300.0 102.0082 30000.0 END IONS BEGIN IONS SCANS=135 PEPMASS=103.0136 CHARGE=-1 COLLISION_ENERGY=0.0 58.5952 1900.0 59.0126 320000.0 61.6239 1800.0 68.7883 1900.0 75.8944 1800.0 76.0049 31000.0 85.225 2000.0 88.5766 2200.0 94.9572 1800.0 96.8893 3400.0 103.0161 87000.0 103.0281 2700.0 108.554 2100.0 END IONS BEGIN IONS SCANS=136 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 50.6757 28000.0 57.9919 450000.0 67.9999 37000.0 84.992 48000.0 85.0027 9300000.0 96.8896 42000.0 END IONS BEGIN IONS SCANS=137 PEPMASS=130.0487 CHARGE=-1 COLLISION_ENERGY=0.0 54.7842 2100.0 87.0437 2100.0 96.6368 2100.0 96.8902 2300.0 97.9821 2300.0 99.5154 2200.0 100.0395 3400.0 103.0149 1800.0 103.0285 10000.0 106.9948 1900.0 130.0396 38000.0 149.6288 2000.0 END IONS BEGIN IONS SCANS=138 PEPMASS=89.0225 CHARGE=-1 COLLISION_ENERGY=0.0 51.5393 2100.0 55.7609 2300.0 62.0021 4900.0 65.1101 1900.0 69.0596 1900.0 71.0122 7300.0 74.0883 2200.0 87.0072 6600.0 89.0133 75000.0 89.0228 230000.0 96.8889 3200.0 END IONS BEGIN IONS SCANS=139 PEPMASS=104.0315 CHARGE=-1 COLLISION_ENERGY=0.0 50.502 11000.0 50.8927 10000.0 51.5214 16000.0 55.8057 9300.0 60.7217 11000.0 65.4698 9300.0 75.9766 9200.0 96.8914 14000.0 104.0243 18000.0 105.3777 11000.0 122.7889 9100.0 END IONS BEGIN IONS SCANS=140 PEPMASS=104.0327 CHARGE=-1 COLLISION_ENERGY=0.0 50.2166 7400.0 71.8877 6600.0 73.4719 7800.0 104.0243 18000.0 116.1697 7500.0 END IONS BEGIN IONS SCANS=141 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.3856 11000.0 53.1948 10000.0 63.5762 9200.0 94.1095 9800.0 96.8883 19000.0 104.0238 26000.0 105.7627 8800.0 117.0576 11000.0 121.3677 8600.0 END IONS BEGIN IONS SCANS=142 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5149 35000.0 57.9921 440000.0 64.299 27000.0 85.003 9200000.0 85.0136 47000.0 99.0604 27000.0 END IONS BEGIN IONS SCANS=143 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 51.3404 25000.0 51.5209 18000.0 57.9921 340000.0 63.1987 26000.0 68.0001 38000.0 85.0028 7800000.0 END IONS BEGIN IONS SCANS=144 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=145 PEPMASS=310.9464 CHARGE=-1 COLLISION_ENERGY=0.0 51.589 2900.0 62.1002 2200.0 62.636 2600.0 64.1049 2300.0 64.9111 2200.0 72.1146 2700.0 83.9949 15000.0 85.0026 70000.0 87.9238 7700.0 89.4464 2300.0 96.8868 2800.0 102.9349 3700.0 103.7876 2400.0 103.9188 6700.0 104.9266 7600.0 105.9343 9400.0 113.9272 4100.0 115.9421 34000.0 123.9443 25000.0 128.9376 8300.0 136.0475 2700.0 140.9386 4200.0 148.9404 2800.0 173.935 6800.0 175.9517 2500.0 183.9448 8000.0 191.9456 19000.0 242.9478 4200.0 243.9543 4700.0 259.9476 23000.0 296.0947 2600.0 310.9486 7600.0 311.1689 35000.0 END IONS BEGIN IONS SCANS=146 PEPMASS=102.0122 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 2600.0 82.2359 2700.0 85.3844 2200.0 91.3074 2200.0 93.6116 2400.0 96.8848 2300.0 96.8905 4100.0 99.8599 2100.0 102.0082 40000.0 106.9422 2100.0 END IONS BEGIN IONS SCANS=147 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 51.3049 26000.0 57.9921 520000.0 60.4921 29000.0 67.9998 30000.0 69.1386 27000.0 85.0028 9700000.0 85.0135 64000.0 99.3933 29000.0 END IONS BEGIN IONS SCANS=148 PEPMASS=102.014 CHARGE=-1 COLLISION_ENERGY=0.0 61.889 2800.0 69.7913 2900.0 70.9728 3100.0 96.8894 2700.0 102.0081 52000.0 107.4824 2800.0 END IONS BEGIN IONS SCANS=149 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2500.0 72.6498 2000.0 76.535 2200.0 86.7768 1900.0 96.8879 3400.0 98.8099 2300.0 102.0447 2300.0 105.0443 2000.0 106.4517 2100.0 110.9695 1700.0 END IONS BEGIN IONS SCANS=150 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.1255 5600.0 51.5124 8000.0 52.8846 6000.0 96.89 11000.0 104.024 21000.0 END IONS BEGIN IONS SCANS=151 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 50.7905 7900.0 51.9331 8400.0 60.4547 9100.0 64.625 8000.0 74.416 7900.0 79.5876 9000.0 96.8903 13000.0 99.2693 8700.0 103.5605 7800.0 104.0114 8700.0 104.0239 25000.0 END IONS BEGIN IONS SCANS=152 PEPMASS=218.103 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 2300.0 52.3314 2100.0 59.0126 7100.0 59.8649 3100.0 62.9701 2200.0 71.0124 52000.0 71.0486 42000.0 72.0075 2200.0 88.0279 5200.0 88.0389 810000.0 91.5852 2200.0 92.2853 2700.0 96.888 4600.0 99.0434 13000.0 116.0341 4400.0 116.0704 10000.0 129.0542 4700.0 133.0137 2500.0 146.0809 370000.0 210.0185 2400.0 218.1028 190000.0 END IONS BEGIN IONS 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65.0131 1400000.0 65.0305 2500.0 78.6584 2200.0 96.8912 5400.0 114.8771 2400.0 118.9909 7000.0 131.1101 2500.0 139.0723 2500.0 162.838 23000.0 END IONS BEGIN IONS SCANS=158 PEPMASS=109.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.4879 2000.0 54.5392 1900.0 55.0188 2800.0 58.0283 3300.0 64.0054 62000.0 68.0123 3300.0 68.2344 1900.0 73.0151 1900.0 80.0 4000.0 84.2133 1900.0 87.9822 2000.0 96.0652 2000.0 96.8906 3600.0 100.3584 1900.0 109.998 78000.0 110.0338 4600.0 END IONS BEGIN IONS SCANS=159 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 56.215 5500.0 56.516 6000.0 61.2663 5100.0 71.2957 6000.0 79.2156 6300.0 79.4319 5700.0 79.883 6400.0 94.8569 5400.0 96.886 9100.0 96.891 11000.0 104.0243 18000.0 109.9567 5500.0 116.4033 7000.0 117.9179 5800.0 END IONS BEGIN IONS SCANS=160 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 51.1973 5800.0 54.2614 7200.0 56.7795 7300.0 63.0929 6100.0 66.7015 6100.0 66.78 6500.0 70.8371 6600.0 71.6438 6100.0 92.4318 7200.0 94.3516 6700.0 95.5564 7900.0 104.024 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PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 59.8485 10000.0 60.8115 10000.0 65.3041 11000.0 66.947 10000.0 77.4273 11000.0 89.5009 11000.0 90.4945 9800.0 96.8881 17000.0 104.0244 36000.0 104.2031 10000.0 119.7358 11000.0 END IONS BEGIN IONS SCANS=166 PEPMASS=117.0096 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 20000.0 57.7103 9700.0 65.4868 9300.0 73.0282 3400000.0 90.0083 37000.0 97.4888 10000.0 98.9976 11000.0 99.0071 260000.0 117.0053 13000.0 117.0178 550000.0 END IONS BEGIN IONS SCANS=167 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.259 31000.0 57.992 510000.0 78.1578 34000.0 85.0028 9800000.0 96.8894 40000.0 END IONS BEGIN IONS SCANS=168 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 84.9922 70000.0 85.0029 9900000.0 85.0134 54000.0 96.8905 47000.0 END IONS BEGIN IONS SCANS=169 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 50.2191 1500.0 50.5407 1800.0 51.2349 1800.0 51.6253 1400.0 52.4529 1700.0 52.6456 1600.0 52.7753 2000.0 53.0378 1500.0 53.0669 1600.0 53.2834 1800.0 53.8961 1400.0 54.1404 1500.0 55.1429 2100.0 58.0234 1600.0 58.7207 1500.0 59.8058 1500.0 60.2904 1600.0 61.0164 1500.0 61.055 1500.0 61.2887 1500.0 62.049 1800.0 62.9416 2100.0 63.3819 1600.0 63.6147 1700.0 63.7533 1500.0 63.9475 1500.0 66.7974 1900.0 66.8987 1300.0 67.6414 1600.0 67.7716 1700.0 68.1423 1900.0 69.321 1700.0 71.1838 1500.0 71.8497 1600.0 73.9655 1800.0 74.2841 1600.0 74.4178 1300.0 74.7895 1700.0 75.3006 2000.0 75.6973 1400.0 76.8604 1300.0 76.9363 1700.0 77.3276 1600.0 77.622 1700.0 78.2526 2200.0 78.6968 1800.0 78.9357 1600.0 79.1329 1500.0 80.1199 1500.0 80.7519 1500.0 80.8707 1600.0 80.9003 1800.0 81.4814 1900.0 82.3397 1600.0 83.223 1500.0 83.2407 1700.0 83.866 1700.0 83.9935 1500.0 86.137 2000.0 87.0313 1400.0 87.0884 1600.0 89.3393 1800.0 90.2233 1500.0 90.3886 1800.0 91.9151 1700.0 94.8484 1700.0 95.9263 1600.0 100.0705 1500.0 100.2412 1600.0 100.4236 1600.0 102.2476 1500.0 103.131 1600.0 103.3506 1700.0 103.6533 1400.0 104.8172 1500.0 107.9103 1600.0 109.4553 1600.0 110.7352 1400.0 116.0135 1600.0 116.7537 1800.0 119.2221 1600.0 120.0736 1700.0 120.5696 1900.0 123.163 2000.0 124.2099 1500.0 124.6535 1500.0 124.8322 1600.0 END IONS BEGIN IONS SCANS=170 PEPMASS=104.0168 CHARGE=-1 COLLISION_ENERGY=0.0 50.5569 6800.0 57.3133 6800.0 68.0316 6700.0 96.8889 15000.0 104.0245 17000.0 END IONS BEGIN IONS SCANS=171 PEPMASS=103.0156 CHARGE=-1 COLLISION_ENERGY=0.0 51.5353 2000.0 59.0124 150000.0 76.0052 20000.0 80.2826 2000.0 96.8895 4000.0 103.016 58000.0 103.0274 2800.0 END IONS BEGIN IONS SCANS=172 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 54.1298 29000.0 57.992 550000.0 63.4518 29000.0 68.0 53000.0 75.5513 30000.0 85.0028 11000000.0 85.0135 62000.0 END IONS BEGIN IONS SCANS=173 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 590000.0 68.0003 38000.0 69.8689 27000.0 84.992 83000.0 85.0029 12000000.0 96.059 34000.0 END IONS BEGIN IONS SCANS=174 PEPMASS=310.9461 CHARGE=-1 COLLISION_ENERGY=0.0 58.2028 2200.0 61.6957 2300.0 63.6874 2400.0 67.4716 2300.0 72.7627 2400.0 79.2931 2500.0 83.9948 18000.0 85.0026 86000.0 87.924 5700.0 96.888 4300.0 101.927 2700.0 102.9345 5000.0 103.919 7400.0 104.9266 6100.0 105.1069 2600.0 105.9133 2600.0 105.9345 7200.0 106.9414 2800.0 111.9349 3900.0 112.8375 2500.0 113.9272 4500.0 115.9421 32000.0 117.9217 2200.0 121.8354 2300.0 122.308 2700.0 123.9444 33000.0 124.8094 2200.0 124.9429 3100.0 128.9371 14000.0 131.938 2600.0 140.9384 4700.0 147.9573 4100.0 148.9402 4700.0 156.9332 2700.0 173.4757 2400.0 173.9368 7300.0 175.951 3200.0 183.9447 9000.0 191.9466 23000.0 206.6479 2200.0 211.7526 2400.0 241.9367 3700.0 242.9455 5100.0 243.9535 6400.0 255.9421 2400.0 259.9477 29000.0 293.8761 2400.0 310.9455 5500.0 311.1693 46000.0 END IONS BEGIN IONS SCANS=175 PEPMASS=104.0332 CHARGE=-1 COLLISION_ENERGY=0.0 67.3763 9600.0 70.5778 8900.0 72.5443 9100.0 75.7481 9800.0 86.2147 9200.0 93.8755 10000.0 96.8897 14000.0 102.6463 9300.0 104.0241 19000.0 105.062 10000.0 109.4545 9000.0 END IONS BEGIN IONS SCANS=176 PEPMASS=84.9938 CHARGE=-1 COLLISION_ENERGY=0.0 54.3067 31000.0 57.9921 400000.0 68.0004 47000.0 77.7692 27000.0 85.0028 7600000.0 85.0133 38000.0 96.8882 36000.0 104.3311 23000.0 END IONS BEGIN IONS SCANS=177 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 52.7716 8200.0 65.5996 7700.0 73.4634 7000.0 79.7938 7100.0 89.3327 7000.0 95.7617 6700.0 96.8849 7400.0 96.8904 15000.0 104.0239 17000.0 121.8188 6800.0 END IONS BEGIN IONS SCANS=178 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 51.3331 32000.0 57.9921 500000.0 59.8274 31000.0 85.0029 11000000.0 95.6436 36000.0 96.8888 47000.0 98.4314 34000.0 END IONS BEGIN IONS SCANS=179 PEPMASS=102.0084 CHARGE=-1 COLLISION_ENERGY=0.0 50.282 2100.0 51.1232 2000.0 53.4197 2000.0 59.2477 2000.0 67.3637 2300.0 69.8463 2100.0 72.0422 2000.0 76.3373 2500.0 85.1896 2200.0 96.889 5500.0 98.3898 2000.0 102.0083 23000.0 111.5226 2100.0 END IONS BEGIN IONS SCANS=180 PEPMASS=163.0241 CHARGE=-1 COLLISION_ENERGY=0.0 53.7365 2000.0 56.9195 2000.0 62.269 2000.0 65.0041 3100.0 65.0132 960000.0 65.0204 6200.0 68.7383 2500.0 69.0235 2300.0 71.9719 2400.0 75.026 2400.0 84.8302 2600.0 85.0915 1800.0 118.9913 3500.0 127.845 2200.0 162.8376 15000.0 175.1925 2300.0 END IONS BEGIN IONS SCANS=181 PEPMASS=103.0156 CHARGE=-1 COLLISION_ENERGY=0.0 51.9676 2400.0 59.0125 140000.0 60.0781 2200.0 73.641 1900.0 76.0051 24000.0 96.8859 5200.0 96.8921 4300.0 103.0162 52000.0 113.2536 2300.0 END IONS BEGIN IONS SCANS=182 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 50.1064 2000.0 50.8294 2000.0 51.2274 2100.0 61.3539 2000.0 61.8453 2000.0 63.7703 2100.0 72.5219 2200.0 88.7376 1900.0 96.8864 3000.0 96.8918 3400.0 102.0081 34000.0 END IONS BEGIN IONS SCANS=183 PEPMASS=103.0141 CHARGE=-1 COLLISION_ENERGY=0.0 57.6401 2200.0 59.0126 270000.0 60.879 2500.0 63.2483 2200.0 66.8825 2200.0 76.005 46000.0 98.3787 2300.0 103.0062 2700.0 103.0161 97000.0 103.0244 3100.0 103.0273 2900.0 END IONS BEGIN IONS SCANS=184 PEPMASS=237.0385 CHARGE=-1 COLLISION_ENERGY=0.0 57.2231 2600.0 71.0123 48000.0 80.7319 2000.0 96.8888 3800.0 115.0019 28000.0 121.0278 340000.0 128.5927 2300.0 216.3045 2600.0 END IONS BEGIN IONS SCANS=185 PEPMASS=121.0273 CHARGE=-1 COLLISION_ENERGY=0.0 55.7765 2100.0 56.001 2200.0 65.9971 11000.0 105.2837 1900.0 110.9387 2000.0 117.7736 1900.0 121.0027 7000.0 121.0279 29000.0 124.9725 2100.0 130.0795 2500.0 END IONS BEGIN IONS SCANS=186 PEPMASS=237.0395 CHARGE=-1 COLLISION_ENERGY=0.0 52.9864 2200.0 54.1495 2400.0 55.6266 2400.0 55.8331 2400.0 64.9872 2300.0 69.6648 2700.0 71.0124 120000.0 81.7893 2700.0 81.9052 2400.0 96.888 2900.0 115.0021 75000.0 121.0105 3500.0 121.0127 2300.0 121.0281 880000.0 135.1997 2200.0 END IONS BEGIN IONS SCANS=187 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 62.2817 36000.0 67.4418 30000.0 68.0002 43000.0 85.0029 10000000.0 95.9395 31000.0 96.8886 53000.0 103.649 36000.0 END IONS BEGIN IONS SCANS=188 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 54.6689 9200.0 55.1713 9400.0 93.6139 9200.0 96.8885 14000.0 104.0238 15000.0 END IONS BEGIN IONS SCANS=189 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 52.3367 1800.0 53.2577 2400.0 61.0609 2100.0 74.5 2100.0 76.1483 2100.0 84.039 2000.0 86.8145 1900.0 96.7942 1900.0 96.8896 3900.0 105.0442 2200.0 105.6996 2200.0 106.7528 2300.0 END IONS BEGIN IONS SCANS=190 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 59.825 6500.0 74.1456 9400.0 78.0997 7000.0 84.5457 7100.0 92.5783 7500.0 93.1995 7000.0 96.4844 6200.0 96.887 17000.0 96.8927 8900.0 104.0244 16000.0 115.9896 7300.0 END IONS BEGIN IONS SCANS=191 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 460000.0 58.0058 34000.0 63.2734 32000.0 68.0005 36000.0 84.3968 34000.0 85.0028 8900000.0 85.0134 45000.0 END IONS BEGIN IONS SCANS=192 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 56.1497 9800.0 60.5157 11000.0 60.6979 10000.0 62.6787 10000.0 63.6544 11000.0 71.594 9800.0 74.866 10000.0 80.6434 9100.0 92.5593 11000.0 96.6798 9200.0 96.8868 12000.0 104.0237 25000.0 END IONS BEGIN IONS SCANS=193 PEPMASS=104.0327 CHARGE=-1 COLLISION_ENERGY=0.0 51.1928 8300.0 51.5236 8300.0 60.0654 9100.0 62.4193 8600.0 66.1513 11000.0 68.6785 9800.0 77.4308 9200.0 96.8891 14000.0 104.0246 24000.0 105.6914 8800.0 END IONS BEGIN IONS SCANS=194 PEPMASS=172.0951 CHARGE=-1 COLLISION_ENERGY=0.0 58.0286 2300.0 63.1367 2100.0 96.8887 3400.0 111.0793 2100.0 117.4817 2200.0 126.7445 2100.0 128.1066 8500.0 130.0719 2800.0 130.0736 3200.0 130.0856 250000.0 130.4242 2000.0 140.3666 2500.0 150.9093 2000.0 165.6382 2600.0 172.0964 51000.0 END IONS BEGIN IONS SCANS=195 PEPMASS=84.9963 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 430000.0 66.2773 32000.0 68.9809 34000.0 85.0028 8700000.0 85.0136 43000.0 87.0907 38000.0 END IONS BEGIN IONS SCANS=196 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 450000.0 68.0002 42000.0 85.0027 9000000.0 95.3543 33000.0 96.8877 46000.0 97.977 32000.0 END IONS BEGIN IONS SCANS=197 PEPMASS=104.02 CHARGE=-1 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142.0495 190000.0 186.0406 3300.0 END IONS BEGIN IONS SCANS=202 PEPMASS=163.0241 CHARGE=-1 COLLISION_ENERGY=0.0 61.6111 2000.0 61.9746 2500.0 65.006 7500.0 65.0074 3800.0 65.0132 1100000.0 70.8308 2400.0 93.8109 2200.0 96.8881 3600.0 118.9912 3500.0 121.113 2200.0 162.8375 20000.0 169.4282 2100.0 END IONS BEGIN IONS SCANS=203 PEPMASS=142.0491 CHARGE=-1 COLLISION_ENERGY=0.0 58.0285 130000.0 58.0321 4000.0 58.0325 2200.0 60.9993 2100.0 63.6638 1800.0 71.2824 2000.0 95.6386 2200.0 96.8887 3200.0 115.0119 3500.0 142.0135 2600.0 142.0233 5200.0 142.0396 18000.0 142.0497 4300.0 END IONS BEGIN IONS SCANS=204 PEPMASS=186.0383 CHARGE=-1 COLLISION_ENERGY=0.0 51.5196 2800.0 54.9985 2100.0 58.0286 340000.0 65.0129 3700.0 68.8517 2200.0 74.0559 3200.0 85.9816 2300.0 96.8884 4800.0 98.0595 3300.0 98.5963 2000.0 98.6298 2000.0 114.0543 21000.0 121.5655 2200.0 141.9417 2500.0 142.0495 130000.0 END IONS BEGIN IONS SCANS=205 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 540000.0 60.8027 34000.0 78.0128 36000.0 82.8344 30000.0 85.0029 9800000.0 85.0134 50000.0 96.8918 40000.0 104.0037 33000.0 END IONS BEGIN IONS SCANS=206 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.7259 1800.0 50.9212 1600.0 51.4747 1700.0 51.747 1600.0 52.0554 1800.0 54.7101 1900.0 55.3268 1500.0 55.8128 1400.0 56.04 1400.0 57.0914 1500.0 57.2621 1700.0 57.6185 1700.0 59.161 1700.0 59.2783 1800.0 59.4082 1600.0 59.9105 1600.0 60.4615 2000.0 60.6201 1800.0 61.1926 1900.0 61.3112 1700.0 62.7442 1800.0 64.0577 1700.0 64.7425 1900.0 64.7874 1500.0 64.8209 1800.0 64.8338 1700.0 66.0354 1600.0 66.0715 1700.0 66.624 1500.0 67.6987 1600.0 68.3418 1700.0 68.5781 2000.0 68.9144 1800.0 70.6773 1700.0 71.1007 1700.0 73.0778 1600.0 73.131 2000.0 73.1834 1500.0 76.1498 1900.0 76.1538 1800.0 76.3023 1300.0 77.7583 1600.0 83.3844 2100.0 84.4909 1500.0 85.0564 1500.0 89.6044 1700.0 90.9468 1600.0 92.2958 1600.0 94.898 2000.0 95.1452 1800.0 95.8653 1500.0 96.8741 1800.0 96.8896 3100.0 103.787 1900.0 105.0437 1700.0 106.4956 1600.0 106.7477 1600.0 107.2459 1500.0 109.27 1600.0 109.725 1500.0 116.1903 1800.0 116.8477 1900.0 118.9682 1800.0 119.0481 1800.0 END IONS BEGIN IONS SCANS=207 PEPMASS=102.0141 CHARGE=-1 COLLISION_ENERGY=0.0 50.7248 3000.0 51.5346 3000.0 57.1016 3100.0 70.0282 3100.0 83.7071 3400.0 96.8884 6600.0 102.0084 37000.0 END IONS BEGIN IONS SCANS=208 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 53.0552 41000.0 57.9921 650000.0 58.7177 31000.0 68.0 35000.0 68.5598 34000.0 85.0029 11000000.0 96.8872 48000.0 97.757 30000.0 END IONS BEGIN IONS SCANS=209 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 67.3763 9600.0 70.5778 8900.0 72.5443 9100.0 75.7481 9800.0 86.2147 9200.0 93.8755 10000.0 96.8897 14000.0 102.6463 9300.0 104.0241 19000.0 105.062 10000.0 109.4545 9000.0 END IONS BEGIN IONS SCANS=210 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 53.5187 27000.0 57.992 500000.0 67.9999 59000.0 84.9891 43000.0 85.0028 11000000.0 85.0133 54000.0 96.889 49000.0 101.4815 34000.0 END IONS 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85.0028 6600000.0 96.8863 27000.0 99.5627 23000.0 END IONS BEGIN IONS SCANS=219 PEPMASS=216.0865 CHARGE=-1 COLLISION_ENERGY=0.0 52.5633 2100.0 71.0124 7400.0 88.0388 110000.0 92.6853 2300.0 94.342 2300.0 96.8876 4300.0 96.8929 2300.0 96.9913 6500.0 100.0751 68000.0 101.0592 42000.0 114.0178 9200.0 115.0022 30000.0 132.0284 5500.0 151.518 2200.0 154.0865 7200.0 172.0964 43000.0 198.0761 13000.0 216.0868 82000.0 END IONS BEGIN IONS SCANS=220 PEPMASS=85.0121 CHARGE=-1 COLLISION_ENERGY=0.0 51.1247 27000.0 51.5157 32000.0 52.1872 29000.0 56.4638 30000.0 57.2497 32000.0 57.9921 440000.0 84.9921 57000.0 85.0028 8300000.0 95.0666 28000.0 95.4618 36000.0 96.8882 38000.0 END IONS BEGIN IONS SCANS=221 PEPMASS=85.006 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 65.1125 29000.0 67.9997 32000.0 68.6577 32000.0 85.0028 11000000.0 85.0134 49000.0 93.8746 27000.0 96.8907 42000.0 END IONS BEGIN IONS SCANS=222 PEPMASS=103.0137 CHARGE=-1 COLLISION_ENERGY=0.0 54.6553 2500.0 59.0126 320000.0 76.0051 39000.0 88.0046 2200.0 90.2824 2000.0 92.1578 2000.0 96.8879 2400.0 102.9814 2200.0 103.0058 2500.0 103.0161 91000.0 103.0281 3600.0 113.169 2100.0 END IONS BEGIN IONS SCANS=223 PEPMASS=104.0168 CHARGE=-1 COLLISION_ENERGY=0.0 50.9368 6000.0 57.5251 6300.0 62.1132 5900.0 62.6153 6500.0 64.4926 6300.0 68.2616 5900.0 68.6923 7200.0 71.8993 6100.0 76.3251 6000.0 82.175 5900.0 86.5636 5500.0 92.8751 6300.0 93.3917 6600.0 96.8885 15000.0 104.0236 11000.0 119.2221 6000.0 END IONS BEGIN IONS SCANS=224 PEPMASS=161.0443 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 970000.0 59.0124 190000.0 76.0055 3700.0 76.1787 3400.0 85.6806 3600.0 99.0437 1200000.0 101.0228 330000.0 101.0324 3900.0 112.3432 3300.0 117.054 8600.0 161.0084 5700.0 161.0441 270000.0 END IONS BEGIN IONS SCANS=225 PEPMASS=102.0116 CHARGE=-1 COLLISION_ENERGY=0.0 51.4022 2500.0 51.515 2700.0 55.0523 2200.0 56.9933 2100.0 62.4485 2900.0 82.8206 2400.0 92.6439 2400.0 96.8857 3400.0 96.8913 4700.0 98.4536 2100.0 102.0082 37000.0 111.0918 2700.0 115.0733 2300.0 END IONS BEGIN IONS SCANS=226 PEPMASS=200.9848 CHARGE=-1 COLLISION_ENERGY=0.0 63.6762 2200.0 76.5571 2400.0 82.7681 2200.0 88.0409 2200.0 96.8905 3700.0 121.0279 300000.0 200.9859 32000.0 206.6335 2200.0 220.0848 2600.0 END IONS BEGIN IONS SCANS=227 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 64.6904 7900.0 67.7978 8000.0 76.0434 8200.0 82.0728 9100.0 84.1722 8900.0 96.8888 12000.0 98.8688 7400.0 104.0239 18000.0 104.691 7500.0 118.2402 6500.0 END IONS BEGIN IONS SCANS=228 PEPMASS=90.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.238 1900.0 53.5706 2300.0 58.8834 1900.0 65.8582 1800.0 77.1033 2100.0 83.1851 2000.0 90.0081 210000.0 96.8866 2500.0 END IONS BEGIN IONS SCANS=229 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 54.1841 22000.0 57.9921 340000.0 85.0029 7200000.0 96.8883 35000.0 101.2012 25000.0 END IONS BEGIN IONS SCANS=230 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 52.4618 32000.0 57.9921 520000.0 66.8992 31000.0 69.9171 28000.0 75.378 35000.0 77.0968 37000.0 85.0028 9300000.0 96.8886 48000.0 END IONS BEGIN IONS SCANS=231 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 53.7796 39000.0 54.9295 38000.0 55.4395 34000.0 56.7419 43000.0 57.9921 560000.0 85.0029 12000000.0 96.89 64000.0 END IONS BEGIN IONS SCANS=232 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 84.2705 7700.0 85.2652 7000.0 85.3683 7200.0 96.8869 9000.0 104.0238 16000.0 END IONS BEGIN IONS SCANS=233 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 51.5119 7000.0 54.2387 6000.0 54.3541 6900.0 54.9513 6700.0 73.2539 6900.0 84.0607 6900.0 96.8893 33000.0 104.0242 21000.0 115.7811 7000.0 117.012 6700.0 END IONS BEGIN IONS SCANS=234 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.5325 7800.0 56.9916 8200.0 67.3385 7500.0 70.6013 7000.0 75.1309 7100.0 82.6876 8000.0 96.0053 6800.0 96.5585 8300.0 96.8896 17000.0 97.3779 8300.0 104.0241 19000.0 END IONS BEGIN IONS SCANS=235 PEPMASS=85.0122 CHARGE=-1 COLLISION_ENERGY=0.0 51.529 28000.0 57.9919 420000.0 60.3157 24000.0 68.0 47000.0 85.0027 8500000.0 93.3013 32000.0 96.8902 45000.0 END IONS BEGIN IONS SCANS=236 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 510000.0 58.6288 32000.0 68.0003 38000.0 71.9721 36000.0 84.9974 79000.0 85.0029 10000000.0 88.3937 34000.0 99.2137 37000.0 END IONS BEGIN IONS SCANS=237 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 51.5265 2200.0 65.006 7400.0 65.0073 3700.0 65.0132 900000.0 65.0204 5300.0 71.5416 2000.0 84.9421 2000.0 87.8352 2200.0 96.8889 3400.0 102.3256 2600.0 103.4584 2300.0 114.908 2200.0 118.9915 8000.0 119.5902 2500.0 148.4448 2000.0 153.259 2200.0 162.838 2300.0 163.0252 3300.0 178.8628 2200.0 END IONS BEGIN IONS SCANS=238 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 55.6593 2000.0 73.6638 1900.0 78.6461 1900.0 87.0529 2000.0 96.8888 3400.0 97.9869 2000.0 98.6289 1900.0 102.0806 2200.0 102.2707 2400.0 105.0441 4500.0 END IONS BEGIN IONS SCANS=239 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 57.1008 8700.0 58.4374 8900.0 80.99 9900.0 81.5066 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117.3986 2200.0 END IONS BEGIN IONS SCANS=244 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 650000.0 60.4729 44000.0 68.0001 41000.0 85.0028 12000000.0 96.4286 34000.0 96.8882 56000.0 END IONS BEGIN IONS SCANS=245 PEPMASS=103.0139 CHARGE=-1 COLLISION_ENERGY=0.0 50.6047 1900.0 56.9624 2200.0 59.0126 270000.0 76.0051 45000.0 76.7659 2000.0 85.3192 1800.0 86.2898 2000.0 86.619 2100.0 90.2803 2100.0 96.89 3500.0 103.0162 97000.0 103.0399 2100.0 108.0585 1800.0 113.0765 2100.0 END IONS BEGIN IONS SCANS=246 PEPMASS=310.9475 CHARGE=-1 COLLISION_ENERGY=0.0 51.1687 2800.0 51.5269 3300.0 53.6534 2700.0 55.1676 2500.0 61.2554 2200.0 82.7702 2200.0 83.9949 38000.0 84.995 3000.0 85.0027 150000.0 87.9236 12000.0 94.831 2700.0 96.8887 4000.0 102.9344 8700.0 103.9184 13000.0 104.9267 15000.0 105.9342 16000.0 106.9423 3400.0 111.9349 10000.0 113.9266 6700.0 115.9424 62000.0 123.9446 60000.0 124.9427 5300.0 128.9378 25000.0 129.9212 2800.0 129.9445 4300.0 131.9388 3800.0 132.9442 5100.0 140.938 8600.0 146.948 4800.0 147.9564 8000.0 148.9404 11000.0 160.9812 2600.0 162.7377 2400.0 173.935 12000.0 175.9511 7700.0 177.4047 2700.0 183.0124 5600.0 183.9436 25000.0 187.9396 3500.0 191.9466 57000.0 241.937 5800.0 242.9449 12000.0 243.9525 7400.0 259.9482 62000.0 310.9477 14000.0 311.1693 100000.0 END IONS BEGIN IONS SCANS=247 PEPMASS=206.0808 CHARGE=-1 COLLISION_ENERGY=0.0 52.6861 2300.0 53.6471 2300.0 56.3967 2600.0 58.0286 27000.0 66.7438 2200.0 70.0284 15000.0 73.6575 2500.0 78.4912 3000.0 91.0536 14000.0 137.3461 2200.0 139.9126 2300.0 147.0437 40000.0 162.0452 2900.0 164.0704 140000.0 206.0813 55000.0 END IONS BEGIN IONS SCANS=248 PEPMASS=104.0285 CHARGE=-1 COLLISION_ENERGY=0.0 51.7559 6500.0 57.9384 7000.0 95.4519 6300.0 96.8847 7400.0 96.8901 21000.0 103.5095 6500.0 104.0239 15000.0 109.3611 6100.0 116.4322 7100.0 124.5297 7000.0 END IONS BEGIN IONS SCANS=249 PEPMASS=161.0433 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 120000.0 58.6361 2000.0 59.0124 58000.0 60.403 2200.0 65.8289 2100.0 76.0053 4500.0 90.0085 2900.0 96.8895 3400.0 99.0434 270000.0 101.0228 270000.0 105.2799 2400.0 106.0032 5000.0 118.0032 3700.0 143.0335 34000.0 160.8403 5500.0 161.0082 3000.0 161.044 74000.0 END IONS BEGIN IONS SCANS=250 PEPMASS=85.0084 CHARGE=-1 COLLISION_ENERGY=0.0 51.6394 28000.0 57.992 420000.0 60.064 22000.0 64.8117 25000.0 67.9999 27000.0 85.0029 8300000.0 85.0134 42000.0 96.8895 47000.0 END IONS BEGIN IONS SCANS=251 PEPMASS=103.0155 CHARGE=-1 COLLISION_ENERGY=0.0 51.5211 2300.0 59.0125 120000.0 69.1 2100.0 71.1039 2000.0 76.0052 19000.0 78.0484 2000.0 92.3099 2000.0 94.9096 2300.0 96.8916 2500.0 103.0161 45000.0 103.0281 3000.0 105.2273 2100.0 116.5575 1800.0 END IONS BEGIN IONS SCANS=252 PEPMASS=250.0705 CHARGE=-1 COLLISION_ENERGY=0.0 50.7493 2200.0 65.6393 2400.0 71.0123 12000.0 88.0308 2900.0 88.0388 190000.0 88.0461 2800.0 88.9154 2500.0 91.054 12000.0 96.8921 2800.0 114.0181 18000.0 115.0023 38000.0 118.8155 2500.0 120.4535 2100.0 132.0287 360000.0 133.8693 3100.0 135.0434 13000.0 167.6002 2300.0 194.0714 2500.0 206.0813 8800.0 232.0602 2500.0 250.0718 63000.0 END IONS BEGIN IONS SCANS=253 PEPMASS=250.0715 CHARGE=-1 COLLISION_ENERGY=0.0 53.2378 3000.0 59.0125 3800.0 70.0281 2900.0 70.4253 3000.0 71.0122 31000.0 75.1951 2800.0 76.2993 2800.0 81.8001 3200.0 88.0389 590000.0 91.0537 46000.0 96.8899 4900.0 114.0181 46000.0 115.002 110000.0 118.7525 2900.0 132.0289 1200000.0 134.0597 6700.0 135.0434 42000.0 184.0409 3600.0 185.5968 3200.0 205.7208 3300.0 206.0812 22000.0 232.0593 6200.0 238.8826 3100.0 250.0711 180000.0 END IONS BEGIN IONS SCANS=254 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.0266 26000.0 50.7811 28000.0 57.9919 350000.0 58.2989 27000.0 67.9999 33000.0 84.992 36000.0 85.0027 7100000.0 89.413 33000.0 89.4708 25000.0 103.332 25000.0 END IONS BEGIN IONS SCANS=255 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 58.6724 7300.0 78.5656 7400.0 104.024 17000.0 END IONS BEGIN IONS SCANS=256 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 53.6363 9900.0 63.621 8000.0 69.3824 8100.0 73.372 9100.0 73.5386 9500.0 79.9256 7600.0 80.772 7700.0 88.9662 7700.0 96.889 19000.0 104.0122 9700.0 104.0241 15000.0 113.8771 8800.0 END IONS BEGIN IONS SCANS=257 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 51.5397 41000.0 57.992 520000.0 67.9999 38000.0 75.1069 35000.0 81.1969 31000.0 84.9921 57000.0 85.0027 11000000.0 87.6749 36000.0 104.7215 30000.0 END IONS BEGIN IONS SCANS=258 PEPMASS=175.0222 CHARGE=-1 COLLISION_ENERGY=0.0 50.6031 2100.0 51.5435 2500.0 59.0124 130000.0 61.4834 2000.0 61.7951 2100.0 62.9469 2500.0 64.4808 2000.0 71.0123 280000.0 72.4237 1900.0 96.8904 4500.0 113.0595 2400.0 115.0017 24000.0 133.0123 3600.0 135.2211 2400.0 175.0591 3500.0 END IONS BEGIN IONS SCANS=259 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 64.9383 2400.0 65.0132 790000.0 65.9319 2200.0 83.7669 2500.0 91.2745 2500.0 96.8874 2900.0 111.5172 2200.0 118.9911 8400.0 142.9902 2100.0 162.8392 3700.0 END IONS BEGIN IONS 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96.8895 2700.0 111.4546 2200.0 114.0079 81000.0 127.9294 7300.0 132.3028 2100.0 140.9375 2500.0 141.019 75000.0 153.6168 2400.0 END IONS BEGIN IONS SCANS=265 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 55.4343 7200.0 59.8393 7700.0 60.3149 7000.0 60.4533 6800.0 62.3754 7500.0 91.5186 6200.0 96.8894 12000.0 102.4498 7300.0 104.0236 14000.0 END IONS BEGIN IONS SCANS=266 PEPMASS=102.0082 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 2100.0 52.4987 2000.0 59.856 2200.0 60.4827 2300.0 62.3253 2500.0 70.7397 1900.0 79.4615 1900.0 80.1262 2400.0 80.5562 2000.0 95.0121 2000.0 96.8874 3200.0 102.0081 13000.0 105.5074 1900.0 106.7131 1900.0 107.5287 1900.0 111.0403 2500.0 END IONS BEGIN IONS SCANS=267 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 600000.0 68.0001 57000.0 85.0028 12000000.0 85.0133 58000.0 89.9401 34000.0 96.8895 68000.0 END IONS BEGIN IONS SCANS=268 PEPMASS=128.0329 CHARGE=-1 COLLISION_ENERGY=0.0 60.1371 2100.0 60.4087 2200.0 76.0048 2500.0 82.028 6100.0 84.0439 3400.0 96.8887 4000.0 102.0075 3800.0 127.9972 3000.0 127.9998 3500.0 128.0112 210000.0 128.0333 140000.0 146.7173 2200.0 END IONS BEGIN IONS SCANS=269 PEPMASS=112.9862 CHARGE=-1 COLLISION_ENERGY=0.0 51.5596 2100.0 52.6277 1900.0 68.9943 130000.0 84.9916 25000.0 85.0027 9300.0 85.9981 4200.0 96.8901 3100.0 99.5585 2200.0 112.9865 65000.0 112.9967 15000.0 END IONS BEGIN IONS SCANS=270 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.0947 33000.0 57.9921 530000.0 85.0028 11000000.0 94.9655 40000.0 96.8901 55000.0 END IONS BEGIN IONS SCANS=271 PEPMASS=375.1836 CHARGE=-1 COLLISION_ENERGY=0.0 51.726 2300.0 61.6103 2500.0 69.3907 2500.0 87.8361 3000.0 90.8861 2500.0 93.1789 2800.0 96.7151 2500.0 96.8881 3300.0 96.9585 320000.0 112.4518 2500.0 156.447 2900.0 166.4771 2600.0 186.2765 2700.0 295.2294 13000.0 375.1168 3200.0 375.1283 3700.0 375.1861 210000.0 375.2569 3400.0 END IONS BEGIN IONS SCANS=272 PEPMASS=84.9962 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 480000.0 58.0948 35000.0 59.3181 40000.0 60.4899 44000.0 67.9238 39000.0 74.4025 36000.0 77.6447 38000.0 85.0028 8700000.0 94.5868 34000.0 96.8911 81000.0 END IONS BEGIN IONS SCANS=273 PEPMASS=103.0155 CHARGE=-1 COLLISION_ENERGY=0.0 55.0679 2300.0 55.7431 2500.0 59.0125 160000.0 68.25 2100.0 76.0051 27000.0 86.6713 2000.0 96.8904 2800.0 103.0162 65000.0 103.0284 4400.0 END IONS BEGIN IONS SCANS=274 PEPMASS=109.9976 CHARGE=-1 COLLISION_ENERGY=0.0 54.4872 2200.0 54.7445 2000.0 64.0053 70000.0 72.0265 1900.0 79.9998 2900.0 96.8877 2700.0 109.998 89000.0 114.4487 2200.0 126.3792 2200.0 END IONS BEGIN IONS SCANS=275 PEPMASS=351.184 CHARGE=-1 COLLISION_ENERGY=0.0 50.5312 2600.0 51.1352 2600.0 72.9568 5200.0 77.3149 2500.0 87.7572 2400.0 90.6759 2400.0 91.881 2400.0 96.8872 13000.0 96.9585 550000.0 153.9016 2900.0 177.3526 2600.0 222.0952 2400.0 225.221 12000.0 271.2273 19000.0 351.1852 310000.0 END IONS BEGIN IONS SCANS=276 PEPMASS=373.1681 CHARGE=-1 COLLISION_ENERGY=0.0 59.5196 2300.0 67.7527 2400.0 94.3367 2600.0 96.4009 2100.0 96.8881 4800.0 96.9585 510000.0 99.2916 2800.0 142.4485 2400.0 150.0303 2900.0 236.3335 2800.0 293.2114 17000.0 354.927 3000.0 373.17 150000.0 END IONS BEGIN IONS SCANS=277 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 51.1679 2100.0 62.3313 2700.0 71.0124 18000.0 72.9602 2700.0 73.0391 2300.0 81.2851 2100.0 89.0124 2200.0 95.8441 2000.0 96.8855 4300.0 96.8919 6000.0 115.0031 2000.0 115.0292 6800.0 134.3211 2200.0 END IONS BEGIN IONS SCANS=278 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 8000.0 57.4249 2100.0 57.9104 2000.0 58.9573 3800.0 67.0176 3600.0 85.028 43000.0 86.3342 2100.0 87.0072 78000.0 87.9241 3200.0 88.8844 2500.0 96.8884 3200.0 102.9473 22000.0 107.4159 2500.0 111.0072 200000.0 111.0167 4300.0 111.0181 3100.0 116.5973 2400.0 129.0085 2100.0 129.0166 11000.0 146.9375 9100.0 147.0293 2600.0 150.4332 2300.0 150.7164 2500.0 173.0092 4500.0 191.0193 26000.0 194.4126 2100.0 END IONS BEGIN IONS SCANS=279 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 530000.0 61.3068 29000.0 63.9136 31000.0 85.0028 9300000.0 86.0821 27000.0 96.8875 40000.0 97.375 30000.0 END IONS BEGIN IONS SCANS=280 PEPMASS=267.0652 CHARGE=-1 COLLISION_ENERGY=0.0 50.2529 2200.0 51.5337 2900.0 58.8744 2300.0 60.4814 2600.0 68.3829 2500.0 68.7732 2300.0 96.8908 3900.0 98.7322 2400.0 113.5934 2800.0 132.0197 7500.0 135.1418 2200.0 152.0324 3700.0 171.503 2300.0 195.0435 4500.0 206.2454 2700.0 208.0513 7100.0 223.039 18000.0 224.047 7900.0 226.932 2500.0 251.0338 17000.0 252.0422 460000.0 267.0656 590000.0 END IONS BEGIN IONS SCANS=281 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 69.7483 1900.0 74.3018 1900.0 77.2813 2600.0 78.5592 1700.0 80.3264 2000.0 85.9881 1900.0 93.0156 2000.0 93.8419 1900.0 96.8893 5000.0 119.5037 2000.0 120.834 1800.0 END IONS BEGIN IONS SCANS=282 PEPMASS=117.0177 CHARGE=-1 COLLISION_ENERGY=0.0 50.7564 2300.0 53.3157 1900.0 55.0175 4300.0 58.0125 2000.0 60.8969 2200.0 65.013 5400.0 73.0279 180000.0 89.0129 4000.0 89.9974 1900.0 90.0081 35000.0 90.0161 12000.0 96.889 3600.0 116.9269 7300.0 117.0192 110000.0 117.0273 8100.0 120.9942 2200.0 END IONS BEGIN IONS SCANS=283 PEPMASS=310.9472 CHARGE=-1 COLLISION_ENERGY=0.0 51.5184 3100.0 54.4328 2500.0 57.3151 2600.0 58.434 2300.0 60.4628 2700.0 62.3217 2300.0 69.008 2500.0 74.3969 2300.0 83.9947 36000.0 85.0026 130000.0 87.9236 11000.0 96.8894 6100.0 101.9271 3900.0 102.9346 4100.0 103.9117 2800.0 103.9184 11000.0 104.9263 10000.0 105.9339 15000.0 106.9413 3000.0 111.9346 7300.0 113.9267 6800.0 115.9423 59000.0 123.9445 54000.0 124.9415 4500.0 128.5657 2600.0 128.9377 15000.0 129.9221 4600.0 131.9377 2900.0 140.9377 6500.0 146.9478 4100.0 147.9558 4300.0 148.94 8300.0 158.3402 2300.0 173.9351 12000.0 175.9509 3400.0 183.0123 6400.0 183.9431 13000.0 184.0186 3100.0 191.9461 32000.0 202.0758 2900.0 241.938 5900.0 242.9459 13000.0 243.9529 5300.0 259.9476 44000.0 310.9454 12000.0 311.1687 130000.0 END IONS BEGIN IONS SCANS=284 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 59.7042 7100.0 79.0178 7400.0 96.8906 11000.0 104.0243 12000.0 105.6628 6900.0 118.1923 7400.0 END IONS BEGIN IONS SCANS=285 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 58.7857 7700.0 61.7279 7500.0 66.9777 8000.0 96.8896 23000.0 99.098 8100.0 104.0244 21000.0 118.8313 7700.0 119.6205 7400.0 END IONS BEGIN IONS SCANS=286 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 58.9465 12000.0 78.0086 9300.0 81.3282 9000.0 83.3559 10000.0 84.9387 10000.0 96.8894 45000.0 104.0237 17000.0 107.5268 10000.0 111.0671 10000.0 END IONS BEGIN IONS SCANS=287 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 60.5853 2100.0 65.004 2600.0 65.0132 800000.0 65.0201 3700.0 67.0037 2300.0 96.89 3600.0 99.4371 2200.0 108.1917 2600.0 114.823 2000.0 116.0323 2500.0 118.9914 8500.0 END IONS BEGIN IONS SCANS=288 PEPMASS=104.0283 CHARGE=-1 COLLISION_ENERGY=0.0 50.5589 9900.0 51.5189 13000.0 63.0759 10000.0 66.501 8700.0 69.1213 9500.0 71.7606 9800.0 88.3061 9800.0 98.8458 9200.0 104.0241 20000.0 END IONS BEGIN IONS SCANS=289 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 610000.0 60.4796 29000.0 64.7556 29000.0 68.0002 51000.0 69.0987 35000.0 85.0028 13000000.0 85.0135 73000.0 96.8875 50000.0 END IONS BEGIN IONS SCANS=290 PEPMASS=84.996 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 520000.0 65.079 33000.0 68.0 57000.0 77.0351 30000.0 84.5302 32000.0 84.992 86000.0 85.0028 12000000.0 91.3351 38000.0 95.8958 33000.0 96.8921 33000.0 END IONS BEGIN IONS SCANS=291 PEPMASS=165.0166 CHARGE=-1 COLLISION_ENERGY=0.0 57.0183 1900.0 65.0129 3700.0 66.8481 2100.0 69.3775 2300.0 101.1408 2200.0 109.9577 2400.0 121.0278 260000.0 137.993 3800.0 165.0175 30000.0 END IONS BEGIN IONS SCANS=292 PEPMASS=102.0117 CHARGE=-1 COLLISION_ENERGY=0.0 65.4404 2100.0 96.8879 3000.0 102.0081 31000.0 103.2731 1900.0 END IONS BEGIN IONS SCANS=293 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 50.0939 24000.0 57.9921 320000.0 66.8122 16000.0 68.0003 20000.0 70.4979 19000.0 85.0028 7000000.0 93.342 20000.0 97.3548 18000.0 END IONS 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56.5678 4800.0 56.9062 5200.0 57.013 4300.0 57.5726 4400.0 59.0667 4100.0 59.2255 3900.0 59.8828 4900.0 60.119 4000.0 60.4959 5000.0 62.3922 3800.0 64.369 5500.0 64.4615 4700.0 65.5707 4400.0 66.2459 4700.0 67.2636 4000.0 68.0264 4100.0 68.0574 4200.0 68.1887 5900.0 68.357 4200.0 71.87 5000.0 72.3484 4200.0 74.2977 4500.0 75.3257 4200.0 76.9945 4600.0 78.0853 4500.0 78.5151 4400.0 80.0272 4800.0 80.1523 4800.0 80.9162 4500.0 83.0888 4000.0 85.0575 4800.0 85.5695 4700.0 86.9228 4700.0 88.1898 4500.0 90.9272 4300.0 91.9269 4400.0 92.9978 4500.0 93.1849 4700.0 93.238 4500.0 94.1589 4100.0 96.0379 5200.0 96.8906 5200.0 99.4385 4300.0 99.8986 4800.0 99.9099 4800.0 101.6287 5800.0 104.024 21000.0 106.9044 4200.0 107.5469 4200.0 112.0111 4200.0 116.004 5700.0 120.7725 4800.0 END IONS BEGIN IONS SCANS=299 PEPMASS=205.0122 CHARGE=-1 COLLISION_ENERGY=0.0 70.0089 2500.0 73.0276 2100.0 85.0275 2700.0 87.0047 19000.0 95.9966 2200.0 96.8908 3800.0 105.0154 46000.0 111.0071 24000.0 113.8599 2000.0 131.0118 110000.0 143.0137 4700.0 149.0229 5600.0 154.9964 4100.0 158.0109 3500.0 159.0069 320000.0 161.0224 8200.0 161.0417 6600.0 196.3912 2200.0 205.0131 9100.0 END IONS BEGIN IONS SCANS=300 PEPMASS=105.0151 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2000.0 65.9242 1800.0 70.1422 2000.0 82.9277 2000.0 88.8184 1900.0 96.4018 1800.0 96.8904 2800.0 102.4367 2300.0 END IONS BEGIN IONS SCANS=301 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 50.1438 8300.0 50.9986 9700.0 62.8239 8100.0 72.0751 9200.0 80.6199 9400.0 96.8849 30000.0 96.8911 46000.0 96.8987 9300.0 99.5934 7800.0 104.0238 20000.0 109.3114 8100.0 END IONS BEGIN IONS SCANS=302 PEPMASS=204.0157 CHARGE=-1 COLLISION_ENERGY=0.0 58.026 2200.0 58.0286 10000.0 71.0124 2700.0 73.028 4000.0 78.9502 2300.0 86.0088 11000.0 87.2432 2500.0 88.0386 41000.0 96.0435 2700.0 96.8885 4400.0 104.0192 27000.0 113.4377 2200.0 120.6313 2600.0 130.0154 93000.0 130.049 35000.0 132.0659 3100.0 148.0257 3800.0 158.0106 260000.0 160.0267 5400.0 160.0464 3800.0 204.0161 6000.0 204.0876 10000.0 END IONS BEGIN IONS SCANS=303 PEPMASS=204.0021 CHARGE=-1 COLLISION_ENERGY=0.0 51.6161 2500.0 56.5283 2300.0 70.9868 4800.0 81.0267 3000.0 92.9875 12000.0 96.8946 2900.0 98.9963 5500.0 99.0363 7800.0 99.917 6200.0 101.0153 8800.0 110.5359 2500.0 116.9186 66000.0 116.9859 23000.0 120.8868 5500.0 120.9805 27000.0 125.0139 43000.0 130.0064 180000.0 131.0027 160000.0 136.8911 7200.0 136.991 3600.0 137.888 13000.0 140.9852 11000.0 141.9169 81000.0 142.9132 310000.0 143.023 2900.0 143.9137 5900.0 144.9787 8200.0 145.0021 12000.0 148.0161 3400.0 149.0117 6500.0 157.9994 400000.0 158.9956 350000.0 159.0091 5400.0 159.9264 34000.0 160.0135 5400.0 160.2028 2600.0 160.9226 130000.0 161.0114 6700.0 161.9223 3300.0 164.9839 23000.0 166.1302 2300.0 174.9837 2300.0 184.9886 5800.0 187.01 12000.0 188.7582 2500.0 203.9313 5800.0 204.0021 7000.0 204.9267 14000.0 204.9751 8000.0 204.9969 12000.0 205.0188 7700.0 END IONS BEGIN IONS SCANS=304 PEPMASS=204.9988 CHARGE=-1 COLLISION_ENERGY=0.0 70.8181 2200.0 70.987 6700.0 92.9874 17000.0 96.8971 3400.0 98.9963 7400.0 99.0365 6900.0 99.9169 7600.0 101.0156 4400.0 112.9929 2700.0 115.0303 4200.0 116.9186 46000.0 116.9856 29000.0 117.9186 7500.0 120.8866 5700.0 120.9804 42000.0 125.0137 23000.0 125.3412 2100.0 125.863 3500.0 129.2671 2700.0 130.0063 3700.0 131.0027 250000.0 131.0105 3800.0 131.0131 4700.0 136.9904 3300.0 137.8882 25000.0 140.4021 2600.0 140.9854 17000.0 141.9166 6600.0 141.9361 2400.0 142.8644 2500.0 142.9132 300000.0 143.0227 3700.0 143.9129 32000.0 144.9784 11000.0 145.0021 7800.0 149.0123 6800.0 157.9998 5400.0 158.1709 2500.0 158.9957 510000.0 159.9945 3700.0 160.9226 130000.0 161.0107 14000.0 161.9224 15000.0 164.9837 43000.0 184.9891 14000.0 186.9183 4000.0 187.0104 4400.0 200.5074 2500.0 204.9271 18000.0 204.9772 12000.0 204.9966 12000.0 205.0165 6500.0 END IONS BEGIN IONS SCANS=305 PEPMASS=105.0081 CHARGE=-1 COLLISION_ENERGY=0.0 55.3493 2000.0 60.3897 2300.0 61.1792 1900.0 66.2432 2100.0 69.7073 2000.0 80.6917 2200.0 96.7072 2100.0 106.0321 3500.0 END IONS BEGIN IONS SCANS=306 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 50.4857 28000.0 51.5194 32000.0 55.7287 32000.0 57.9921 560000.0 59.3137 27000.0 59.3991 29000.0 60.4656 31000.0 67.996 30000.0 67.9999 70000.0 85.0028 11000000.0 85.0165 37000.0 END IONS BEGIN IONS SCANS=307 PEPMASS=135.9689 CHARGE=-1 COLLISION_ENERGY=0.0 51.5414 2400.0 55.2408 2000.0 56.8418 2100.0 65.0131 2700.0 70.5265 2100.0 79.9557 9200.0 80.1295 2100.0 80.9636 65000.0 96.8902 2300.0 105.9588 18000.0 120.6008 2400.0 135.9696 400000.0 136.0132 2000.0 142.729 2000.0 146.7779 2200.0 END IONS BEGIN IONS SCANS=308 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 55.4268 11000.0 56.2635 7800.0 57.1692 7800.0 60.4185 10000.0 62.9254 8100.0 63.3088 7700.0 72.857 10000.0 87.7577 11000.0 96.8878 11000.0 104.0241 20000.0 113.7375 8600.0 END IONS BEGIN IONS SCANS=309 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 53.6179 2400.0 53.901 2000.0 76.3966 1800.0 77.2909 2000.0 77.7846 2300.0 83.5926 2300.0 94.0586 2000.0 96.8909 3300.0 98.5154 2000.0 102.008 16000.0 105.7543 2000.0 109.9217 1900.0 119.0956 2300.0 END IONS BEGIN IONS SCANS=310 PEPMASS=105.0209 CHARGE=-1 COLLISION_ENERGY=0.0 58.9895 2000.0 68.099 2100.0 68.334 2000.0 68.5649 1800.0 69.5374 2200.0 70.2797 2700.0 73.4853 2400.0 84.567 1900.0 86.0207 1900.0 96.8858 2300.0 96.8912 3300.0 END IONS BEGIN IONS SCANS=311 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 51.5213 39000.0 57.9921 530000.0 60.4661 35000.0 62.032 29000.0 68.0001 46000.0 71.9599 37000.0 79.8971 32000.0 85.0028 10000000.0 85.0134 55000.0 91.5251 36000.0 END IONS BEGIN IONS SCANS=312 PEPMASS=112.9837 CHARGE=-1 COLLISION_ENERGY=0.0 68.9943 370000.0 74.4179 2200.0 85.0024 4500.0 85.9978 3900.0 95.0974 2000.0 112.9839 14000.0 112.9976 11000.0 118.5483 2100.0 END IONS BEGIN IONS SCANS=313 PEPMASS=104.02 CHARGE=-1 COLLISION_ENERGY=0.0 51.5194 6100.0 59.3918 5900.0 67.5668 5500.0 70.9853 6400.0 72.5998 5500.0 89.3841 7600.0 94.7965 6500.0 104.024 14000.0 124.3754 6000.0 END IONS BEGIN IONS SCANS=314 PEPMASS=160.9226 CHARGE=-1 COLLISION_ENERGY=0.0 73.0226 3400.0 73.299 2800.0 79.3969 2300.0 82.6356 2900.0 85.0219 9400.0 85.0665 2400.0 86.9991 2200.0 88.7491 2400.0 92.9874 3800.0 94.9856 3400.0 96.8937 3700.0 99.9169 11000.0 112.0354 5800.0 112.9949 3300.0 113.0319 120000.0 113.0399 4000.0 114.0353 3200.0 115.0109 6700.0 115.911 8400.0 116.9015 9500.0 116.9186 1300000.0 116.9316 6100.0 116.9359 8600.0 116.9407 4000.0 117.9186 140000.0 118.9149 7600.0 120.9804 9200.0 124.7958 2400.0 131.0412 8300.0 140.9861 6000.0 141.004 3800.0 141.917 4400.0 142.634 2700.0 142.9132 480000.0 143.9132 44000.0 160.8291 3700.0 160.8792 7900.0 160.9225 260000.0 161.0101 3300.0 161.0221 4200.0 161.0496 44000.0 161.8809 5100.0 161.9224 28000.0 162.0501 3600.0 END IONS BEGIN IONS SCANS=315 PEPMASS=181.0576 CHARGE=-1 COLLISION_ENERGY=0.0 56.7377 1900.0 60.6004 2100.0 64.0976 2100.0 65.4647 2000.0 77.6807 2300.0 84.0175 2000.0 92.9113 4800.0 92.9875 3500.0 93.0261 2200.0 94.9855 4400.0 96.8952 2400.0 96.9515 15000.0 97.9229 2400.0 102.2435 2100.0 102.4386 2300.0 108.9812 10000.0 114.9243 12000.0 116.9183 3300.0 117.0059 12000.0 120.9805 3000.0 132.9797 9800.0 134.9935 5700.0 136.97 3400.0 137.0122 3100.0 138.0087 3800.0 140.9858 5000.0 143.9211 6600.0 152.9845 2400.0 160.9729 10000.0 160.99 4200.0 180.8679 2800.0 180.9614 4600.0 180.9764 30000.0 180.9978 6900.0 END IONS BEGIN IONS SCANS=316 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 51.5334 2500.0 54.7945 2200.0 56.1479 2200.0 59.0125 17000.0 60.7971 2500.0 65.0132 930000.0 65.0203 6600.0 96.8904 3500.0 101.0234 3500.0 113.0404 2800.0 118.9912 6900.0 125.7972 2400.0 162.8376 14000.0 163.0585 4500.0 178.3399 2200.0 END IONS BEGIN IONS SCANS=317 PEPMASS=103.0152 CHARGE=-1 COLLISION_ENERGY=0.0 52.1371 2500.0 59.0124 130000.0 61.2108 2200.0 76.0049 17000.0 83.3137 1900.0 96.8888 2800.0 103.0162 47000.0 103.0282 4000.0 123.1157 2000.0 END IONS BEGIN IONS SCANS=318 PEPMASS=181.069 CHARGE=-1 COLLISION_ENERGY=0.0 53.4034 2100.0 56.9863 2400.0 82.8509 1900.0 83.0233 6500.0 90.0658 1900.0 95.3869 2200.0 96.1695 2600.0 136.9087 2900.0 191.6608 2300.0 END IONS BEGIN IONS SCANS=319 PEPMASS=310.9468 CHARGE=-1 COLLISION_ENERGY=0.0 51.4203 2700.0 77.0347 2900.0 77.6669 2600.0 83.9948 24000.0 85.0026 110000.0 87.9235 6000.0 101.9264 2700.0 102.935 6900.0 103.9185 10000.0 104.9267 10000.0 105.9343 12000.0 106.9424 2600.0 111.0336 2900.0 111.9349 7000.0 113.9267 5700.0 115.9424 54000.0 118.9212 2200.0 123.9443 44000.0 124.9435 3200.0 128.9373 13000.0 129.9455 3200.0 132.9451 3000.0 140.9382 8000.0 146.948 3800.0 147.9565 7000.0 148.9403 5700.0 156.9344 2600.0 173.9366 7000.0 175.952 5300.0 183.9437 14000.0 184.0195 3600.0 188.4264 2400.0 191.9464 29000.0 199.5942 2500.0 241.9376 6000.0 242.9462 10000.0 243.952 5400.0 259.9472 34000.0 272.4962 2500.0 310.949 8700.0 311.1685 61000.0 END IONS BEGIN IONS SCANS=320 PEPMASS=431.1181 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 330000.0 57.0373 4500.0 58.553 3200.0 59.0123 36000.0 60.9497 3000.0 63.5033 2900.0 64.5629 2600.0 69.0333 3400.0 71.0122 19000.0 73.0279 4800.0 76.2388 2800.0 81.0329 3300.0 83.0119 3500.0 85.0278 4000.0 96.895 3800.0 97.0276 46000.0 99.0435 270000.0 101.0226 64000.0 113.0222 10000.0 125.0225 510000.0 125.0411 3800.0 143.0326 8600.0 161.044 20000.0 203.0545 11000.0 225.077 4100.0 243.0862 11000.0 287.0046 3000.0 329.0877 28000.0 369.1196 14000.0 405.8038 3100.0 431.1203 52000.0 END IONS BEGIN IONS SCANS=321 PEPMASS=191.0177 CHARGE=-11 COLLISION_ENERGY=0.0 146.9369 5900.0 152.835 2100.0 170.9858 2600.0 173.0073 2500.0 191.0184 17000.0 279.1904 2300.0 350.6375 2200.0 690.0105 2400.0 988.067 2800.0 1266.3784 2600.0 1815.09 2700.0 END IONS BEGIN IONS SCANS=322 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 50.6944 37000.0 57.9921 520000.0 66.7626 42000.0 68.0001 58000.0 84.9921 72000.0 85.0029 11000000.0 90.5558 38000.0 91.7573 33000.0 END IONS BEGIN IONS SCANS=323 PEPMASS=393.1749 CHARGE=-1 COLLISION_ENERGY=0.0 54.0675 2200.0 59.0124 5800.0 67.1901 2600.0 71.0122 6400.0 75.0073 7700.0 85.0279 10000.0 87.007 5200.0 95.0118 3800.0 99.0068 3200.0 107.4718 2400.0 113.0226 13000.0 116.0519 2200.0 123.919 2400.0 143.1061 77000.0 151.7939 2300.0 179.1049 2500.0 224.97 2500.0 249.0597 14000.0 365.3832 3100.0 393.177 72000.0 END IONS BEGIN IONS SCANS=324 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 50.923 5200.0 51.5238 4900.0 51.922 6400.0 52.8893 6000.0 53.193 6000.0 53.2098 6900.0 53.2192 5900.0 53.9659 5700.0 54.2016 6400.0 55.3634 7400.0 56.4288 5600.0 57.0885 5800.0 57.6362 5900.0 57.6827 6200.0 58.9995 5800.0 59.3028 6000.0 59.3329 6500.0 59.3387 7800.0 60.3216 4900.0 60.382 5500.0 60.4681 5900.0 60.6849 5700.0 61.3525 5800.0 61.9665 6300.0 62.6776 6200.0 63.2596 6000.0 63.6891 6400.0 64.1496 6200.0 66.3104 6500.0 66.8059 5600.0 67.0277 5700.0 68.2653 5900.0 68.8056 6000.0 69.0279 6200.0 69.5462 5700.0 71.1562 6100.0 72.261 6600.0 72.4544 7900.0 73.4721 5900.0 75.6285 6900.0 75.8154 5600.0 76.7168 5300.0 77.6366 6900.0 78.0271 6200.0 78.2229 6400.0 79.2531 6700.0 82.0782 5400.0 82.2578 5900.0 82.5719 5000.0 82.9887 5900.0 84.2303 5800.0 84.8437 6100.0 85.0371 5300.0 85.1626 5800.0 87.4192 5600.0 92.731 6400.0 96.8887 9000.0 97.2874 7200.0 98.1561 5900.0 98.5986 7200.0 98.7978 6700.0 104.0236 25000.0 107.5004 5900.0 109.1337 6300.0 110.6922 5800.0 111.1621 6100.0 115.6727 7100.0 116.0102 6100.0 116.7736 6900.0 118.146 6700.0 124.4544 5700.0 END IONS BEGIN IONS SCANS=325 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 53.1789 35000.0 57.9922 490000.0 61.8901 30000.0 69.0125 32000.0 71.9514 33000.0 79.4649 30000.0 85.0029 10000000.0 85.0135 54000.0 97.4714 30000.0 END IONS BEGIN IONS SCANS=326 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 690000.0 66.0101 38000.0 68.0 56000.0 85.0028 12000000.0 96.8854 42000.0 96.8909 39000.0 END IONS BEGIN IONS SCANS=327 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.715 42000.0 55.0756 43000.0 57.9921 770000.0 67.9996 61000.0 85.0028 14000000.0 94.4814 40000.0 96.8897 64000.0 END IONS BEGIN IONS SCANS=328 PEPMASS=103.0133 CHARGE=-1 COLLISION_ENERGY=0.0 58.5986 2200.0 59.0127 610000.0 67.0224 1900.0 76.0051 23000.0 92.1454 2200.0 96.8916 2300.0 103.0023 14000.0 103.016 61000.0 103.0285 3200.0 END IONS BEGIN IONS SCANS=329 PEPMASS=112.9837 CHARGE=-1 COLLISION_ENERGY=0.0 52.9021 2000.0 53.557 2200.0 68.9943 250000.0 68.9997 2900.0 85.0027 3400.0 85.9982 2800.0 95.6035 2000.0 96.8875 2500.0 112.9846 8100.0 112.9973 13000.0 114.7352 2300.0 115.7753 2000.0 END IONS BEGIN IONS SCANS=330 PEPMASS=134.0457 CHARGE=-1 COLLISION_ENERGY=0.0 65.013 8000.0 68.0238 9700.0 70.6977 3700.0 72.808 3900.0 80.0238 4100.0 89.2937 3700.0 92.0236 90000.0 107.0346 460000.0 111.5638 3700.0 114.4715 3900.0 134.0459 1900000.0 134.8637 32000.0 END IONS BEGIN IONS SCANS=331 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.2769 1700.0 50.352 1500.0 50.8643 1900.0 51.3734 1800.0 51.7879 1500.0 51.8288 1800.0 52.6023 1600.0 55.0549 1600.0 55.3788 1400.0 55.8331 1600.0 57.4073 1300.0 58.1649 1600.0 59.1593 2000.0 60.6768 1800.0 61.3049 1700.0 61.6042 1700.0 61.635 1600.0 61.6382 1800.0 62.3126 1800.0 66.3978 1700.0 67.7272 1800.0 69.6141 1700.0 70.1204 1600.0 70.9706 1800.0 71.7991 1600.0 73.6178 1700.0 74.5116 1600.0 75.7208 1800.0 76.2214 1600.0 76.7845 1700.0 78.1472 1500.0 78.6697 1900.0 79.2857 1500.0 81.1853 1700.0 81.9394 1600.0 82.8394 1900.0 87.1772 1800.0 88.6591 1600.0 89.8019 1700.0 89.8607 2000.0 89.9048 1700.0 92.432 1700.0 94.0488 1600.0 94.2811 1600.0 96.0658 1600.0 96.6597 1500.0 96.8917 1700.0 101.5118 1600.0 101.7525 1700.0 103.12 1700.0 104.6303 1600.0 105.0439 4600.0 105.9586 1800.0 106.155 1900.0 107.6405 1800.0 108.5764 2000.0 109.159 1900.0 109.476 1700.0 110.123 1500.0 111.4281 1900.0 111.5997 1600.0 111.8166 2000.0 113.4423 1500.0 113.7231 2100.0 115.4441 1500.0 115.9373 1600.0 117.2702 1900.0 121.3018 1600.0 124.0468 1800.0 END IONS BEGIN IONS SCANS=332 PEPMASS=163.024 CHARGE=-1 COLLISION_ENERGY=0.0 54.4698 2100.0 58.3954 2400.0 60.0951 2000.0 65.0132 810000.0 65.0204 6000.0 81.138 2100.0 89.7713 2100.0 96.8898 3100.0 107.4727 2400.0 109.8801 2300.0 118.9915 2500.0 162.8375 19000.0 END IONS BEGIN IONS SCANS=333 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 50.1438 8300.0 50.9986 9700.0 62.8239 8100.0 72.0751 9200.0 80.6199 9400.0 96.8849 30000.0 96.8911 46000.0 96.8987 9300.0 99.5934 7800.0 104.0238 20000.0 109.3114 8100.0 END IONS BEGIN IONS SCANS=334 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 61.6314 6900.0 71.1069 8100.0 76.7895 8000.0 78.6392 7200.0 93.7263 7500.0 95.124 6900.0 96.8911 7700.0 104.0239 15000.0 106.3483 8200.0 107.4996 8200.0 110.2523 8300.0 END IONS BEGIN IONS SCANS=335 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 600000.0 59.7876 41000.0 85.0028 13000000.0 96.8885 73000.0 END IONS BEGIN IONS SCANS=336 PEPMASS=449.1177 CHARGE=-1 COLLISION_ENERGY=0.0 60.8832 2700.0 62.9581 15000.0 73.2226 2400.0 78.9518 42000.0 80.9672 33000.0 96.8958 3700.0 98.9987 3100.0 122.9254 3000.0 148.9885 2600.0 182.539 2800.0 191.5222 3200.0 242.966 4600.0 385.1514 9900.0 449.1174 72000.0 450.1211 11000.0 END IONS BEGIN IONS SCANS=337 PEPMASS=188.0536 CHARGE=-1 COLLISION_ENERGY=0.0 50.4894 2300.0 58.0286 13000.0 59.0124 39000.0 64.0053 2500.0 65.0129 21000.0 65.9969 5100.0 80.3626 2800.0 81.0513 2200.0 81.3832 2200.0 87.9237 5200.0 96.8863 2300.0 96.8916 2700.0 98.9392 2400.0 99.9238 4100.0 99.9474 71000.0 100.039 2700.0 100.0752 20000.0 102.0545 93000.0 116.1302 2100.0 126.0547 9100.0 126.2915 2000.0 128.0334 120000.0 133.63 2100.0 139.8211 2500.0 141.0187 3700.0 141.8671 6600.0 143.9372 22000.0 144.065 44000.0 146.0444 12000.0 152.6377 2100.0 159.4267 2000.0 159.8787 3000.0 170.044 39000.0 188.0553 49000.0 END IONS BEGIN IONS SCANS=338 PEPMASS=188.0545 CHARGE=-1 COLLISION_ENERGY=0.0 50.4272 2300.0 58.0286 7900.0 59.0123 52000.0 61.3865 2100.0 65.013 18000.0 65.9973 3300.0 84.044 3200.0 87.9237 3500.0 93.3953 2100.0 96.8882 3900.0 99.9254 2900.0 99.9336 2200.0 99.9475 74000.0 100.0389 3600.0 100.0751 33000.0 102.0544 140000.0 111.5662 2300.0 126.0547 11000.0 128.0335 150000.0 128.3309 2700.0 141.0192 2700.0 141.8672 5500.0 143.9376 21000.0 144.0651 62000.0 146.0446 15000.0 170.0446 39000.0 175.7547 2400.0 188.0554 55000.0 END IONS BEGIN IONS SCANS=339 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 55.3338 38000.0 56.9945 39000.0 57.9922 610000.0 63.9407 32000.0 70.6596 39000.0 71.8024 45000.0 85.0028 12000000.0 90.0886 35000.0 END IONS BEGIN IONS SCANS=340 PEPMASS=86.0056 CHARGE=-1 COLLISION_ENERGY=0.0 51.5175 2000.0 57.9921 8500.0 58.989 2400.0 58.9955 6700.0 73.2599 3100.0 76.4474 2600.0 86.0 75000.0 86.0062 230000.0 89.1543 1700.0 89.1617 1800.0 89.4519 2100.0 95.5528 2200.0 96.8857 5000.0 96.8921 4900.0 END IONS BEGIN IONS SCANS=341 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 62.7278 8100.0 63.4472 7400.0 79.1877 10000.0 96.8885 14000.0 104.0239 28000.0 110.1964 7400.0 111.1676 9300.0 END IONS BEGIN IONS SCANS=342 PEPMASS=663.3739 CHARGE=-1 COLLISION_ENERGY=0.0 51.5473 2900.0 54.6203 2800.0 57.3393 3900.0 58.2416 3100.0 59.0124 46000.0 60.4964 3400.0 61.897 2800.0 62.0143 2800.0 66.8467 3100.0 71.0123 38000.0 73.7083 3200.0 85.0279 3700.0 89.0226 44000.0 95.0119 3400.0 96.8879 5900.0 101.0227 31000.0 113.0228 20000.0 117.4046 3100.0 119.0333 20000.0 131.0344 5200.0 133.8913 2900.0 143.0335 5000.0 179.0546 12000.0 186.1441 3100.0 235.0977 2900.0 258.6943 3200.0 275.1139 3900.0 285.3643 3700.0 310.5052 4200.0 439.3214 87000.0 581.3078 3100.0 581.4125 4000.0 663.3792 120000.0 END IONS BEGIN IONS SCANS=343 PEPMASS=108.0183 CHARGE=-1 COLLISION_ENERGY=0.0 58.4929 1700.0 64.0051 2700.0 65.013 7500.0 65.997 4800.0 68.0002 2200.0 69.4844 1900.0 80.0001 2100.0 90.0079 37000.0 96.0958 1900.0 96.8867 3600.0 97.6385 2100.0 108.019 13000.0 108.0306 1800.0 END IONS BEGIN IONS SCANS=344 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 430000.0 82.8294 27000.0 85.0029 9300000.0 85.0134 47000.0 85.6723 28000.0 96.8901 34000.0 101.9018 28000.0 END IONS BEGIN IONS SCANS=345 PEPMASS=103.0153 CHARGE=-1 COLLISION_ENERGY=0.0 51.5243 2400.0 56.8877 2300.0 59.0124 100000.0 75.4319 2000.0 75.4376 2000.0 76.0052 16000.0 82.4662 1800.0 85.5455 2400.0 96.8855 2400.0 103.0162 51000.0 103.0281 3600.0 END IONS BEGIN IONS SCANS=346 PEPMASS=85.0001 CHARGE=-1 COLLISION_ENERGY=0.0 51.5264 30000.0 57.9919 390000.0 60.1149 31000.0 66.9642 25000.0 81.3496 29000.0 82.8817 27000.0 85.0027 7900000.0 88.8611 31000.0 97.9344 34000.0 END IONS BEGIN IONS SCANS=347 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 54.2656 40000.0 57.992 590000.0 66.217 33000.0 68.0002 60000.0 75.9811 33000.0 85.0028 12000000.0 85.0135 74000.0 91.4458 41000.0 96.8867 36000.0 96.8924 38000.0 END IONS BEGIN IONS SCANS=348 PEPMASS=104.0292 CHARGE=-1 COLLISION_ENERGY=0.0 54.5819 8000.0 55.9714 7100.0 63.2009 8200.0 64.0767 7700.0 65.3148 7700.0 75.7186 8800.0 92.7093 7600.0 96.8908 10000.0 98.746 8000.0 104.0241 23000.0 113.9943 8400.0 END IONS BEGIN IONS SCANS=349 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 600000.0 65.794 38000.0 85.0028 13000000.0 96.8877 60000.0 101.6893 39000.0 END IONS BEGIN IONS SCANS=350 PEPMASS=104.0319 CHARGE=-1 COLLISION_ENERGY=0.0 50.3794 5300.0 50.5805 5400.0 51.517 5700.0 57.0886 5700.0 61.3013 5900.0 65.2624 5900.0 69.4367 5300.0 104.0237 16000.0 END IONS BEGIN IONS SCANS=351 PEPMASS=163.0239 CHARGE=-1 COLLISION_ENERGY=0.0 65.006 5700.0 65.0132 890000.0 65.3768 2100.0 75.9433 2000.0 78.3805 2000.0 96.8873 3300.0 118.9911 6200.0 128.4134 2000.0 141.5531 2300.0 141.6372 2100.0 162.8373 19000.0 163.0795 2300.0 END IONS BEGIN IONS SCANS=352 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 570000.0 62.3407 36000.0 72.6412 36000.0 85.0028 12000000.0 85.0135 75000.0 86.189 41000.0 90.4734 40000.0 96.8875 54000.0 END IONS BEGIN IONS SCANS=353 PEPMASS=312.093 CHARGE=-1 COLLISION_ENERGY=0.0 50.3447 2700.0 57.0387 2300.0 71.5771 2000.0 84.856 2400.0 93.2429 2300.0 96.8904 3300.0 134.0457 130000.0 137.9835 2300.0 184.6164 2400.0 194.804 2500.0 212.892 2700.0 247.1619 2300.0 266.0896 11000.0 272.2145 2400.0 312.172 3900.0 END IONS BEGIN IONS SCANS=354 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.5356 4500.0 53.7182 4600.0 56.6568 5100.0 59.7319 4400.0 59.7805 4200.0 62.4768 4600.0 74.8449 4900.0 83.045 4300.0 86.0428 4800.0 86.8045 4500.0 99.2184 4300.0 104.0241 7400.0 120.9186 4000.0 123.6996 5100.0 END IONS BEGIN IONS SCANS=355 PEPMASS=312.0953 CHARGE=-1 COLLISION_ENERGY=0.0 70.9196 2200.0 96.8886 8100.0 97.1926 2500.0 134.0459 590000.0 137.1924 2500.0 141.0168 2600.0 142.8653 2400.0 162.006 2400.0 184.3883 2300.0 246.5399 2500.0 266.0894 47000.0 312.0952 7100.0 312.1718 8100.0 END IONS BEGIN IONS SCANS=356 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.5613 7900.0 61.5117 7100.0 79.681 8500.0 85.5064 8100.0 91.0663 8600.0 92.6102 7600.0 96.887 14000.0 104.0242 25000.0 104.3041 9000.0 122.7214 7900.0 124.1581 8800.0 END IONS BEGIN IONS SCANS=357 PEPMASS=103.0129 CHARGE=-1 COLLISION_ENERGY=0.0 51.512 2200.0 55.107 1900.0 59.0081 3000.0 59.0089 3400.0 59.0125 180000.0 71.9532 2000.0 76.005 25000.0 96.8879 2800.0 103.0161 51000.0 END IONS BEGIN IONS SCANS=358 PEPMASS=293.124 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 42000.0 60.4582 2200.0 60.4876 2300.0 71.0123 23000.0 75.9228 2200.0 78.6852 2200.0 78.8072 2200.0 85.0276 3700.0 85.0641 12000.0 89.0228 28000.0 101.0228 27000.0 113.0225 14000.0 113.0589 5200.0 115.0747 4100.0 118.3895 2600.0 118.7259 2300.0 119.0328 14000.0 131.0697 130000.0 293.1245 350000.0 END IONS BEGIN IONS SCANS=359 PEPMASS=449.1177 CHARGE=-1 COLLISION_ENERGY=0.0 53.9303 2600.0 55.4319 2900.0 62.958 12000.0 64.7046 3000.0 78.9517 33000.0 80.9672 22000.0 84.8103 2700.0 90.0711 2900.0 92.3131 2300.0 96.8954 2700.0 138.6804 3200.0 242.9657 3200.0 355.1452 3000.0 385.1515 5500.0 393.0414 2900.0 449.1178 60000.0 450.1215 6500.0 452.2879 2600.0 END 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266.6671 3300.0 310.9496 8300.0 311.1682 30000.0 END IONS BEGIN IONS SCANS=362 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 620000.0 58.9276 29000.0 60.1789 33000.0 60.4943 29000.0 68.0001 41000.0 84.9921 75000.0 85.0028 12000000.0 96.8864 36000.0 END IONS BEGIN IONS SCANS=363 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 50.6164 36000.0 53.2753 38000.0 57.992 600000.0 60.2954 35000.0 60.4834 44000.0 68.0008 35000.0 74.5066 37000.0 76.7821 45000.0 85.0028 11000000.0 94.2944 37000.0 96.8861 91000.0 96.8921 71000.0 END IONS BEGIN IONS SCANS=364 PEPMASS=147.0281 CHARGE=-1 COLLISION_ENERGY=0.0 61.1745 2300.0 73.0279 16000.0 85.0277 35000.0 87.9237 2400.0 92.7624 2100.0 96.4944 2000.0 96.8877 3400.0 99.0073 3000.0 102.9472 4000.0 103.0385 6200.0 117.0178 8500.0 125.1099 2700.0 129.0178 8700.0 133.8591 2100.0 146.9855 4300.0 147.0285 9800.0 END IONS BEGIN IONS SCANS=365 PEPMASS=85.0083 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 610000.0 68.0002 37000.0 75.1787 33000.0 84.992 87000.0 85.0028 12000000.0 91.5857 33000.0 96.8883 47000.0 97.8016 35000.0 END IONS BEGIN IONS SCANS=366 PEPMASS=297.1198 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 3300.0 64.1715 2700.0 71.0122 11000.0 71.988 2700.0 73.0278 3100.0 85.0282 4300.0 87.0835 2800.0 96.8893 9000.0 97.2081 2900.0 101.0228 7700.0 104.5437 2900.0 113.0226 4800.0 116.0672 2800.0 117.4939 2500.0 161.0443 13000.0 203.9443 3800.0 251.1131 39000.0 297.1205 16000.0 297.1503 17000.0 END IONS BEGIN IONS SCANS=367 PEPMASS=287.0898 CHARGE=-1 COLLISION_ENERGY=0.0 51.5359 2500.0 53.2251 2000.0 64.7769 2500.0 76.9691 2100.0 77.0971 2700.0 77.345 2800.0 78.1743 2100.0 94.1582 2200.0 96.886 3300.0 96.8912 3500.0 176.5596 2300.0 250.4444 2200.0 END IONS BEGIN IONS SCANS=368 PEPMASS=104.0188 CHARGE=-1 COLLISION_ENERGY=0.0 67.9025 6700.0 72.5599 7300.0 73.9686 6400.0 90.9179 7000.0 96.8888 9900.0 104.0241 12000.0 119.2747 7300.0 END IONS BEGIN IONS SCANS=369 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 51.0642 33000.0 57.992 540000.0 68.0002 41000.0 69.8416 39000.0 76.0886 36000.0 80.0897 37000.0 84.992 58000.0 85.0028 11000000.0 96.8861 45000.0 96.8918 41000.0 END IONS BEGIN IONS SCANS=370 PEPMASS=84.9989 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 560000.0 84.9921 59000.0 85.0028 10000000.0 85.8599 38000.0 91.578 40000.0 96.8878 62000.0 101.9984 34000.0 END IONS BEGIN IONS SCANS=371 PEPMASS=306.0573 CHARGE=-1 COLLISION_ENERGY=0.0 51.5352 3300.0 52.9549 2100.0 59.5685 2100.0 61.987 240000.0 96.8892 3300.0 153.0751 2200.0 157.9803 2300.0 279.5565 2800.0 END IONS BEGIN IONS SCANS=372 PEPMASS=279.0375 CHARGE=-1 COLLISION_ENERGY=0.0 60.1435 2400.0 83.7768 2200.0 84.209 2200.0 90.8411 2400.0 96.8901 2700.0 110.023 8200.0 111.0181 17000.0 111.0251 2000.0 143.9908 2200.0 152.0337 3200.0 155.9017 2300.0 158.7972 2300.0 200.0559 5000.0 243.0619 45000.0 279.0385 9300.0 END IONS BEGIN IONS SCANS=373 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 51.5141 10000.0 62.489 7600.0 80.3536 7300.0 89.4129 9100.0 96.8905 14000.0 104.0239 20000.0 120.3583 7300.0 END IONS BEGIN IONS SCANS=374 PEPMASS=243.0611 CHARGE=-1 COLLISION_ENERGY=0.0 54.413 2400.0 66.0334 23000.0 71.0122 3100.0 71.7145 2100.0 78.1523 2800.0 82.0282 35000.0 96.0439 3500.0 96.8867 7100.0 108.0437 7900.0 110.0232 300000.0 111.0182 20000.0 117.0174 5600.0 122.0228 17000.0 124.0387 6300.0 140.0338 40000.0 152.0337 67000.0 153.029 24000.0 200.0556 110000.0 243.0621 80000.0 250.012 2600.0 END IONS BEGIN IONS SCANS=375 PEPMASS=289.0666 CHARGE=-1 COLLISION_ENERGY=0.0 51.1849 2100.0 54.8288 2200.0 54.8418 2400.0 54.8746 2600.0 62.1108 2100.0 66.0337 3200.0 82.0282 5700.0 96.8879 3500.0 108.0443 2300.0 110.0231 53000.0 111.0185 37000.0 129.2061 2100.0 140.0339 8200.0 152.0339 11000.0 153.0289 8100.0 200.0554 39000.0 214.1874 2300.0 243.0619 170000.0 274.2631 2400.0 END IONS BEGIN IONS SCANS=376 PEPMASS=191.0177 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 11000.0 58.9578 2700.0 73.2918 2400.0 76.9793 2200.0 85.028 65000.0 87.0072 110000.0 87.9234 3400.0 96.8869 7400.0 96.8925 2800.0 102.9472 46000.0 111.0073 300000.0 129.0175 13000.0 146.9373 16000.0 173.0081 7600.0 191.0189 35000.0 END IONS BEGIN IONS SCANS=377 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 52.1051 1600.0 52.1164 1600.0 52.4947 1600.0 52.5676 1600.0 53.93 1800.0 54.1567 1800.0 54.6495 1600.0 54.9127 1600.0 55.4607 1800.0 55.6875 1600.0 55.9841 1700.0 56.4641 1400.0 56.6623 1800.0 58.4188 1600.0 58.5762 1800.0 59.7609 1900.0 60.6504 1900.0 60.7791 1500.0 61.0647 1800.0 61.0963 1800.0 63.3038 1800.0 63.4403 1400.0 65.609 1800.0 66.2906 1900.0 66.4726 1800.0 67.3585 2300.0 68.6673 1400.0 69.1009 2100.0 69.8772 1600.0 70.8674 1600.0 71.2221 2100.0 71.3027 1700.0 72.3395 1800.0 74.6388 1700.0 75.0456 1900.0 75.7847 1600.0 76.5919 1700.0 78.4629 2000.0 83.0626 1700.0 83.6873 1400.0 84.3991 1900.0 84.8277 1600.0 86.889 1600.0 88.4946 1400.0 93.2125 1700.0 93.8409 1500.0 94.3631 1500.0 95.4615 1500.0 96.8903 2400.0 97.8152 1800.0 98.1016 1600.0 98.7917 1700.0 98.8684 1900.0 100.5345 1600.0 101.0485 1500.0 103.0991 1500.0 104.552 1400.0 105.2982 1700.0 107.9373 1700.0 108.365 1700.0 111.6172 1600.0 113.781 1600.0 114.9714 1400.0 116.2198 1700.0 116.733 1400.0 118.1513 1500.0 118.7936 1700.0 119.4207 1500.0 119.9332 1600.0 123.755 1800.0 END IONS BEGIN IONS SCANS=378 PEPMASS=245.0912 CHARGE=-1 COLLISION_ENERGY=0.0 51.5293 2800.0 58.0283 16000.0 70.0282 19000.0 72.0076 2500.0 72.0438 4100.0 74.023 98000.0 78.3449 2900.0 87.5377 2900.0 96.8873 2400.0 98.023 22000.0 116.0339 30000.0 116.0486 25000.0 130.0646 4500.0 142.0648 7200.0 159.0917 8500.0 174.448 2400.0 183.0912 3000.0 201.1021 15000.0 203.0816 140000.0 233.2984 2800.0 233.3237 2300.0 245.092 99000.0 END IONS BEGIN IONS SCANS=379 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.5216 28000.0 52.3786 33000.0 57.992 480000.0 68.0002 61000.0 85.0029 10000000.0 85.0132 61000.0 END IONS BEGIN IONS SCANS=380 PEPMASS=579.173 CHARGE=-1 COLLISION_ENERGY=0.0 53.7491 2900.0 70.0285 10000.0 72.0442 3800.0 74.0231 51000.0 80.0116 3000.0 88.343 4000.0 96.016 2700.0 96.8881 4400.0 98.0235 11000.0 108.9147 3300.0 116.0337 18000.0 116.0495 8900.0 146.7731 2600.0 158.0626 3300.0 159.0921 5000.0 194.4711 3000.0 201.1038 7900.0 203.0819 92000.0 241.8644 3200.0 245.0928 330000.0 289.0843 8400.0 301.631 3300.0 318.7191 2900.0 335.5359 3400.0 593.4155 3000.0 END IONS BEGIN IONS SCANS=381 PEPMASS=579.1708 CHARGE=-1 COLLISION_ENERGY=0.0 50.5396 2600.0 58.0287 3400.0 59.7966 2900.0 69.4846 3100.0 70.0008 2700.0 70.0284 8800.0 74.0232 40000.0 90.2371 3000.0 98.0236 3500.0 116.034 15000.0 116.049 10000.0 201.1027 8900.0 203.082 76000.0 245.0576 3300.0 245.0627 4800.0 245.0928 250000.0 245.1241 5200.0 245.1283 3600.0 289.0821 6900.0 305.8939 3100.0 END IONS BEGIN IONS SCANS=382 PEPMASS=103.0127 CHARGE=-1 COLLISION_ENERGY=0.0 52.426 2000.0 53.273 2000.0 55.8231 2000.0 57.3294 2000.0 59.0125 130000.0 65.2853 1900.0 68.5982 2000.0 72.7307 2000.0 76.005 21000.0 77.3382 2000.0 78.918 2600.0 88.0057 2100.0 96.8867 2900.0 103.0163 45000.0 103.0279 2400.0 105.499 2100.0 END IONS BEGIN IONS SCANS=383 PEPMASS=163.0238 CHARGE=-1 COLLISION_ENERGY=0.0 65.0131 610000.0 65.0168 6200.0 74.4045 2100.0 90.255 2000.0 91.3478 2000.0 96.8855 3700.0 96.8919 4800.0 106.2368 2400.0 107.292 2200.0 118.9913 5400.0 139.6414 2000.0 162.8378 3100.0 163.0049 2200.0 END IONS BEGIN IONS SCANS=384 PEPMASS=245.0921 CHARGE=-1 COLLISION_ENERGY=0.0 58.0284 69000.0 70.0282 63000.0 70.7936 2600.0 72.0076 8100.0 72.0438 16000.0 72.4301 5800.0 74.0232 410000.0 80.5519 3100.0 96.8865 17000.0 96.8934 5800.0 98.0228 78000.0 110.0229 3900.0 116.0336 120000.0 116.0487 100000.0 130.0647 14000.0 142.0644 24000.0 159.0914 29000.0 169.3937 2700.0 183.0915 9500.0 186.055 8700.0 201.1024 51000.0 203.0816 510000.0 245.0923 320000.0 END IONS BEGIN IONS SCANS=385 PEPMASS=104.0316 CHARGE=-1 COLLISION_ENERGY=0.0 58.4951 5300.0 62.856 5900.0 65.0392 5900.0 66.2174 6100.0 74.365 5700.0 75.2055 6800.0 89.6073 5300.0 93.1731 5300.0 96.8877 6800.0 100.4862 7000.0 104.0241 16000.0 109.5934 5300.0 110.3793 6400.0 115.1306 5900.0 END IONS BEGIN IONS SCANS=386 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.1959 8600.0 57.4882 7600.0 58.4377 8400.0 70.5602 9200.0 74.4051 9000.0 85.3916 9600.0 96.8882 17000.0 100.5564 9300.0 104.0237 24000.0 104.7094 9800.0 109.2397 8600.0 END IONS BEGIN IONS SCANS=387 PEPMASS=188.0255 CHARGE=-1 COLLISION_ENERGY=0.0 62.2344 2300.0 62.9577 2000.0 64.0052 2500.0 64.8913 2100.0 65.0131 12000.0 65.9975 2200.0 74.2064 2100.0 82.0365 3300.0 82.4293 2200.0 83.4955 2300.0 87.9238 8200.0 96.89 2800.0 99.0437 23000.0 99.9244 2900.0 99.9474 90000.0 100.0467 59000.0 115.0387 6300.0 116.0418 16000.0 125.0226 35000.0 126.026 200000.0 129.4856 2500.0 138.5073 2300.0 141.0194 3000.0 143.0339 3600.0 143.9375 29000.0 144.0366 21000.0 188.0273 40000.0 END IONS BEGIN IONS SCANS=388 PEPMASS=125.022 CHARGE=-1 COLLISION_ENERGY=0.0 51.5375 3600.0 65.6332 2300.0 67.4943 2000.0 74.23 2100.0 74.5002 1900.0 81.033 6600.0 81.5337 2100.0 96.8894 6100.0 125.023 9700.0 130.7579 2100.0 138.3811 1900.0 END IONS BEGIN IONS SCANS=389 PEPMASS=187.0245 CHARGE=-1 COLLISION_ENERGY=0.0 67.0175 11000.0 71.0486 12000.0 81.0328 52000.0 94.6942 7300.0 96.8914 8800.0 99.0435 930000.0 115.0382 180000.0 125.0229 2700000.0 125.0389 15000.0 125.0413 10000.0 143.0335 270000.0 187.0236 410000.0 END IONS BEGIN IONS SCANS=390 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 370000.0 68.0 33000.0 85.0028 7700000.0 90.1817 23000.0 96.8888 58000.0 END IONS BEGIN IONS SCANS=391 PEPMASS=102.0115 CHARGE=-1 COLLISION_ENERGY=0.0 55.1007 2800.0 60.1831 2200.0 67.811 2900.0 77.6558 2300.0 79.8274 2200.0 96.8881 3100.0 102.0081 29000.0 END IONS BEGIN IONS SCANS=392 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.4585 7800.0 64.0061 11000.0 64.6727 9700.0 65.669 8300.0 67.9283 9500.0 71.3312 10000.0 96.8879 15000.0 102.9389 11000.0 104.0238 29000.0 END IONS BEGIN IONS SCANS=393 PEPMASS=310.9472 CHARGE=-1 COLLISION_ENERGY=0.0 50.2945 2300.0 51.5112 3400.0 56.3301 2500.0 61.2646 2400.0 66.8179 2300.0 69.0074 2600.0 73.3769 2900.0 83.995 46000.0 85.0027 220000.0 87.3143 2800.0 87.9235 23000.0 91.3357 2900.0 96.8875 11000.0 101.9265 6100.0 102.9346 14000.0 103.9187 18000.0 104.9266 18000.0 104.9576 2200.0 105.9343 32000.0 106.942 2500.0 111.9348 16000.0 113.927 8700.0 115.9422 88000.0 123.9445 90000.0 124.9426 7400.0 128.9371 26000.0 129.9221 6200.0 129.9454 9300.0 132.9451 5700.0 133.3586 2900.0 140.9381 11000.0 146.9481 5800.0 147.9565 7400.0 148.9406 17000.0 156.9324 4800.0 167.2622 2500.0 173.9351 15000.0 175.9513 7500.0 183.013 3600.0 183.9437 23000.0 187.9403 4500.0 191.9464 53000.0 193.2664 2300.0 241.9396 8400.0 242.9455 15000.0 243.9546 9900.0 259.9478 59000.0 299.4879 2400.0 310.9475 13000.0 311.1692 39000.0 END IONS BEGIN IONS SCANS=394 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.9136 31000.0 53.2182 31000.0 57.9921 420000.0 69.2511 27000.0 69.4564 29000.0 72.0209 28000.0 84.9922 55000.0 85.0028 8600000.0 90.5386 28000.0 90.8054 29000.0 96.889 42000.0 END IONS BEGIN IONS SCANS=395 PEPMASS=84.9951 CHARGE=-1 COLLISION_ENERGY=0.0 53.0881 29000.0 57.992 400000.0 70.242 29000.0 79.904 26000.0 83.7065 30000.0 85.0028 8400000.0 96.8897 48000.0 101.8916 32000.0 103.5418 34000.0 END IONS BEGIN IONS SCANS=396 PEPMASS=186.0385 CHARGE=-1 COLLISION_ENERGY=0.0 52.3044 2000.0 58.0283 12000.0 58.853 2500.0 63.4449 2300.0 81.9304 2200.0 85.0278 4000.0 91.5915 2500.0 96.8912 2500.0 97.952 5500.0 98.0594 28000.0 100.0387 310000.0 108.5009 2300.0 113.5902 2200.0 113.7734 2500.0 117.1196 2600.0 125.0223 5400.0 141.941 3200.0 142.0493 94000.0 145.8137 2100.0 159.0577 2200.0 174.0767 2200.0 199.0832 2400.0 END IONS BEGIN IONS SCANS=397 PEPMASS=100.0384 CHARGE=-1 COLLISION_ENERGY=0.0 57.5784 1900.0 58.2865 2100.0 64.2607 2200.0 66.0509 1900.0 77.4705 1900.0 77.5597 1600.0 84.0233 1900.0 87.3624 2000.0 96.8896 5700.0 97.6443 2100.0 100.0028 4600.0 100.0386 36000.0 100.3654 1800.0 END IONS BEGIN IONS 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2600.0 59.0317 2600.0 91.0284 2000.0 96.8904 2800.0 99.0628 6100.0 99.947 3100.0 100.0387 26000.0 101.0359 3800.0 101.0423 55000.0 107.1379 2200.0 116.0242 5000.0 137.724 2100.0 143.0236 9000.0 143.0354 14000.0 143.0528 4800.0 END IONS BEGIN IONS SCANS=402 PEPMASS=90.0077 CHARGE=-1 COLLISION_ENERGY=0.0 69.3556 2100.0 78.2417 2700.0 89.9968 3500.0 90.0082 370000.0 96.8872 2400.0 END IONS BEGIN IONS SCANS=403 PEPMASS=103.0133 CHARGE=-1 COLLISION_ENERGY=0.0 54.3287 1900.0 57.0905 1800.0 59.0125 280000.0 63.7 2200.0 64.1609 1900.0 65.7835 2100.0 66.2656 1800.0 69.9416 1900.0 76.005 26000.0 88.0052 3400.0 96.8862 2300.0 96.8916 3100.0 99.9109 2200.0 103.0161 74000.0 END IONS BEGIN IONS SCANS=404 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 640000.0 85.0029 11000000.0 96.8895 40000.0 104.2125 35000.0 END IONS BEGIN IONS SCANS=405 PEPMASS=260.91 CHARGE=-1 COLLISION_ENERGY=0.0 84.4772 2100.0 85.0027 67000.0 87.0606 2200.0 96.8881 5300.0 120.9004 4200.0 122.8922 19000.0 123.9 65000.0 124.9087 3400.0 132.7209 2400.0 133.9085 54000.0 141.911 93000.0 149.9032 2400.0 152.1573 2800.0 166.9051 3200.0 174.899 2500.0 192.9104 6500.0 193.9187 11000.0 201.7559 2500.0 209.9127 37000.0 260.9135 4300.0 END IONS BEGIN IONS SCANS=406 PEPMASS=130.0488 CHARGE=-1 COLLISION_ENERGY=0.0 51.5238 2200.0 57.9614 2000.0 61.9866 1900.0 66.6716 1800.0 74.5159 1900.0 77.5337 2300.0 80.7698 1900.0 88.0388 35000.0 103.0285 10000.0 120.9769 2500.0 130.0396 50000.0 131.8763 2200.0 END IONS BEGIN IONS SCANS=407 PEPMASS=191.0175 CHARGE=-1 COLLISION_ENERGY=0.0 57.0336 5000.0 58.9577 4300.0 61.429 2400.0 66.8025 2300.0 85.0279 49000.0 87.0072 70000.0 87.9236 2400.0 96.8887 2800.0 102.9473 28000.0 111.0072 200000.0 117.0182 2300.0 121.4247 2200.0 129.0174 12000.0 142.9928 2200.0 146.938 8000.0 191.0186 23000.0 209.6073 2600.0 END IONS BEGIN IONS SCANS=408 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 390000.0 61.2953 33000.0 68.0 35000.0 82.5611 32000.0 85.0029 9600000.0 96.89 55000.0 END 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83.8839 9400.0 84.1054 9000.0 84.5708 8600.0 85.522 8200.0 85.6067 7900.0 85.8219 7300.0 87.0168 7800.0 87.872 7900.0 87.9091 9000.0 88.1367 7800.0 88.5993 9400.0 89.5341 9800.0 89.6657 8100.0 89.7629 10000.0 90.1234 7200.0 90.7716 9400.0 90.7942 8800.0 91.3461 8600.0 92.0133 8600.0 92.5557 9800.0 95.1615 9100.0 95.4038 8300.0 96.4564 9000.0 97.0667 7400.0 101.4499 8800.0 102.1676 7600.0 104.0242 13000.0 105.3229 8800.0 105.6824 8400.0 110.4739 9600.0 112.0891 9000.0 112.2407 9500.0 112.4284 7600.0 118.9353 9300.0 123.38 10000.0 124.7671 9200.0 124.7758 10000.0 END IONS BEGIN IONS SCANS=415 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 50.2391 37000.0 50.8693 39000.0 53.6381 35000.0 57.9921 660000.0 64.0372 43000.0 67.9999 48000.0 69.1435 45000.0 85.0028 13000000.0 96.8897 61000.0 END IONS BEGIN IONS SCANS=416 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 67.9999 41000.0 70.4698 31000.0 70.5451 33000.0 71.1678 32000.0 85.0028 10000000.0 92.5848 35000.0 96.8896 60000.0 100.1425 34000.0 END IONS BEGIN IONS SCANS=417 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 53.5184 4200.0 56.6772 3700.0 59.0124 21000.0 60.0159 46000.0 71.9624 4500.0 72.6691 4200.0 72.7237 7300.0 74.1138 4000.0 96.8861 15000.0 96.8925 14000.0 104.0068 4000.0 104.0245 6800.0 107.0989 4200.0 END IONS BEGIN IONS SCANS=418 PEPMASS=187.9256 CHARGE=-15 COLLISION_ENERGY=0.0 243.4828 2300.0 503.4354 2200.0 1770.5806 3200.0 1978.6241 3200.0 END IONS BEGIN IONS SCANS=419 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 52.668 2200.0 59.0126 6300.0 59.3649 1900.0 61.0168 4900.0 71.9881 2300.0 75.5354 2000.0 87.9244 2000.0 91.6403 2400.0 96.8875 3300.0 97.3668 1800.0 101.6387 2100.0 101.7168 2000.0 115.8828 1900.0 END IONS BEGIN IONS SCANS=420 PEPMASS=274.0906 CHARGE=-1 COLLISION_ENERGY=0.0 58.4 2100.0 70.8897 2400.0 71.0122 17000.0 88.0386 38000.0 95.0494 3000.0 97.064 46000.0 114.0907 5100.0 114.6141 2600.0 115.0019 17000.0 132.0288 8300.0 135.9044 2400.0 140.0701 3700.0 153.1471 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33000.0 57.888 36000.0 57.992 590000.0 63.7029 36000.0 82.3319 34000.0 85.0028 12000000.0 96.8891 66000.0 END IONS BEGIN IONS SCANS=425 PEPMASS=102.0118 CHARGE=-1 COLLISION_ENERGY=0.0 54.9119 2000.0 57.9918 2100.0 59.6929 2000.0 87.3901 2100.0 87.6614 1800.0 102.0083 30000.0 117.5148 2200.0 END IONS BEGIN IONS SCANS=426 PEPMASS=87.0067 CHARGE=-1 COLLISION_ENERGY=0.0 51.5858 1800.0 59.0127 2600.0 59.6601 1800.0 59.9964 4000.0 82.0507 2000.0 87.007 94000.0 96.8918 2500.0 END IONS BEGIN IONS SCANS=427 PEPMASS=104.0284 CHARGE=-1 COLLISION_ENERGY=0.0 51.514 6400.0 54.461 5900.0 55.2597 5500.0 60.0158 6500.0 63.5588 5700.0 74.8322 5200.0 81.7949 5800.0 96.8903 10000.0 100.4858 6200.0 104.0238 21000.0 END IONS BEGIN IONS SCANS=428 PEPMASS=310.9465 CHARGE=-1 COLLISION_ENERGY=0.0 83.9947 35000.0 84.7829 2300.0 85.0026 120000.0 87.9237 9000.0 102.9349 6100.0 103.9187 10000.0 104.9265 11000.0 105.9343 11000.0 111.9353 7000.0 113.927 8500.0 115.9422 61000.0 118.0017 2200.0 123.9447 56000.0 124.9428 7500.0 128.937 15000.0 129.9218 4200.0 131.9373 4000.0 132.9451 3200.0 140.9379 7100.0 147.9565 7100.0 148.9404 7600.0 156.9323 3100.0 173.9362 9000.0 175.9505 4000.0 183.9437 14000.0 191.9465 38000.0 214.7785 2600.0 241.9406 3800.0 242.9447 8900.0 243.9532 5800.0 259.9477 42000.0 310.9489 10000.0 311.1693 43000.0 END IONS BEGIN IONS SCANS=429 PEPMASS=351.1267 CHARGE=-1 COLLISION_ENERGY=0.0 51.9952 2300.0 59.0124 8000.0 71.0123 6200.0 75.0072 6200.0 85.0278 11000.0 87.0072 3300.0 95.0119 3000.0 96.8861 3600.0 99.0069 9400.0 101.0591 80000.0 113.0226 22000.0 127.7142 2400.0 133.8475 2300.0 157.584 2400.0 175.0234 3100.0 206.2284 2300.0 219.59 2700.0 231.0517 4500.0 249.0612 24000.0 333.1181 3000.0 345.8796 2700.0 351.1299 150000.0 END IONS BEGIN IONS SCANS=430 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 56.4316 6000.0 59.0126 31000.0 60.0157 57000.0 69.5429 5700.0 85.5998 6000.0 89.1628 7100.0 96.8891 13000.0 97.4396 5400.0 102.9801 5400.0 104.0242 14000.0 117.2721 5500.0 END IONS BEGIN IONS SCANS=431 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 1600.0 50.3707 1500.0 50.4287 1500.0 50.4553 1900.0 50.8007 1800.0 51.2379 1700.0 51.5183 1700.0 51.7387 1500.0 51.8636 1500.0 52.1012 1400.0 53.3383 1400.0 53.8841 1700.0 55.9786 1500.0 57.4389 1500.0 57.9402 1500.0 58.6249 1900.0 59.5172 1600.0 60.173 1700.0 60.4755 1600.0 61.3747 1500.0 62.159 1400.0 63.0391 2000.0 63.69 1600.0 64.1786 1800.0 64.7211 1400.0 64.8625 1600.0 65.9004 1400.0 66.1732 1400.0 66.2421 1500.0 66.4867 1500.0 67.8186 1700.0 68.909 1700.0 69.4484 1800.0 71.124 1700.0 71.2258 1500.0 74.1917 1600.0 74.994 1500.0 75.5724 1600.0 76.0684 1600.0 78.0928 1900.0 79.1244 2300.0 79.3183 1600.0 80.3469 1700.0 82.2141 1800.0 82.5392 1500.0 82.8536 1500.0 84.6883 2000.0 85.2236 1600.0 85.4245 1700.0 86.009 2000.0 86.639 1500.0 87.0711 1800.0 87.2018 1600.0 89.8976 1600.0 90.7665 1900.0 93.3259 1600.0 95.1084 2000.0 95.3962 1500.0 95.6186 1400.0 96.8866 1800.0 97.569 1900.0 100.1303 1600.0 101.6006 1700.0 102.0453 1400.0 104.844 2300.0 105.4404 1600.0 108.866 1400.0 112.3604 1600.0 114.4432 1800.0 116.714 2000.0 121.8738 1700.0 123.8445 2000.0 124.7609 2000.0 END IONS BEGIN IONS SCANS=432 PEPMASS=103.0135 CHARGE=-1 COLLISION_ENERGY=0.0 56.8731 3700.0 59.0065 10000.0 59.0126 1800000.0 60.0797 3600.0 60.7822 3400.0 76.0051 29000.0 77.0782 5400.0 94.0606 3500.0 94.8559 3800.0 96.8903 4800.0 103.002 67000.0 103.0161 52000.0 114.0248 3700.0 END IONS BEGIN IONS SCANS=433 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 470000.0 85.0028 7900000.0 85.0134 42000.0 85.9032 23000.0 96.8894 47000.0 END IONS BEGIN IONS SCANS=434 PEPMASS=175.0589 CHARGE=-1 COLLISION_ENERGY=0.0 51.878 2100.0 55.1691 2000.0 57.1416 2200.0 65.5774 2200.0 73.0279 120000.0 90.999 2500.0 95.0485 46000.0 96.8891 2800.0 111.0436 12000.0 113.0589 12000.0 129.0542 18000.0 131.0708 2700.0 157.0493 14000.0 175.0278 2800.0 175.0599 590000.0 END IONS BEGIN IONS SCANS=435 PEPMASS=84.9941 CHARGE=-1 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2000.0 129.0175 14000.0 146.9375 13000.0 170.9845 2900.0 173.0083 4200.0 191.0187 31000.0 191.0328 2500.0 END IONS BEGIN IONS SCANS=440 PEPMASS=85.0085 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 440000.0 68.0003 46000.0 68.0907 31000.0 74.0341 36000.0 78.0106 32000.0 85.0028 10000000.0 85.0133 60000.0 94.35 29000.0 95.4989 29000.0 96.8857 43000.0 96.8908 45000.0 END IONS BEGIN IONS SCANS=441 PEPMASS=173.0427 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 2400.0 57.3004 2300.0 59.0123 3000.0 65.038 2600.0 66.8823 2100.0 69.0327 3200.0 70.8906 2200.0 71.0122 9600.0 73.0279 77000.0 81.0331 5300.0 83.0487 29000.0 85.028 19000.0 93.0329 130000.0 96.8881 3900.0 99.007 22000.0 99.0433 23000.0 101.0231 3400.0 111.0072 5500.0 111.0436 67000.0 112.0574 2100.0 113.0228 2500.0 129.0183 8700.0 137.023 48000.0 143.0341 9100.0 146.0354 2300.0 155.034 17000.0 173.0443 24000.0 178.3513 2200.0 193.4821 2400.0 END IONS BEGIN IONS SCANS=442 PEPMASS=104.0317 CHARGE=-1 COLLISION_ENERGY=0.0 51.4238 7500.0 53.5105 8600.0 59.0124 9600.0 60.0158 22000.0 65.8189 7700.0 73.5823 7200.0 96.889 10000.0 104.0239 13000.0 END IONS BEGIN IONS SCANS=443 PEPMASS=267.0709 CHARGE=-1 COLLISION_ENERGY=0.0 66.777 2300.0 108.0189 11000.0 151.0246 400000.0 177.0407 12000.0 247.6156 2600.0 267.0726 150000.0 267.1125 3000.0 END IONS BEGIN IONS SCANS=444 PEPMASS=104.0328 CHARGE=-1 COLLISION_ENERGY=0.0 53.6477 6400.0 60.0157 8500.0 90.6208 7800.0 96.891 12000.0 104.024 22000.0 109.1842 7600.0 115.8504 7500.0 END IONS BEGIN IONS SCANS=445 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 650000.0 85.0027 12000000.0 85.8892 43000.0 88.0998 45000.0 96.8908 84000.0 END IONS BEGIN IONS SCANS=446 PEPMASS=104.0274 CHARGE=-1 COLLISION_ENERGY=0.0 50.3928 5200.0 50.9915 4400.0 51.0567 4600.0 51.4668 4900.0 51.8417 5500.0 53.056 4800.0 54.8816 4800.0 55.098 4800.0 56.8231 4700.0 59.0588 5800.0 60.0157 5500.0 60.1271 5900.0 61.2078 5300.0 61.2429 5500.0 62.1446 4500.0 62.1664 4700.0 63.4951 4600.0 65.8274 5000.0 65.9663 4100.0 66.7667 4500.0 67.8757 4900.0 68.8212 5600.0 69.2115 4900.0 69.6235 4500.0 72.6542 4900.0 74.918 5200.0 77.5505 4900.0 78.3395 4600.0 78.4718 4900.0 78.5901 4500.0 79.6002 4100.0 80.0544 4700.0 80.3233 4700.0 82.1821 4600.0 83.5621 4100.0 84.3642 5800.0 85.468 4500.0 85.6313 5400.0 85.7671 4100.0 85.933 4300.0 87.2758 5000.0 87.8938 4400.0 87.9517 4300.0 88.5402 4700.0 89.564 5300.0 91.0751 4500.0 92.1067 4500.0 92.5846 4300.0 95.6915 5100.0 96.8919 5100.0 98.6714 5300.0 99.1618 5300.0 99.4296 5000.0 99.6042 5300.0 99.8857 4700.0 104.0241 18000.0 105.5384 5000.0 105.5825 4600.0 108.549 5000.0 108.5993 4400.0 112.8344 5300.0 117.5074 4600.0 117.8631 4400.0 118.6939 4800.0 119.0019 5000.0 119.9263 5700.0 121.1627 5500.0 124.1459 5600.0 124.8143 5600.0 END IONS BEGIN IONS SCANS=447 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 51.5968 35000.0 57.9922 520000.0 68.0001 37000.0 85.0029 11000000.0 85.0135 64000.0 END IONS BEGIN IONS SCANS=448 PEPMASS=84.9945 CHARGE=-1 COLLISION_ENERGY=0.0 51.5762 36000.0 55.6088 34000.0 57.9922 590000.0 61.2768 36000.0 68.0002 39000.0 85.0029 11000000.0 96.8863 35000.0 END IONS BEGIN IONS SCANS=449 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 58.4669 34000.0 68.0001 54000.0 84.9924 61000.0 85.0028 12000000.0 END IONS BEGIN IONS SCANS=450 PEPMASS=103.01 CHARGE=-1 COLLISION_ENERGY=0.0 51.5507 3000.0 59.0065 11000.0 59.0127 1500000.0 70.9872 2500.0 76.0049 21000.0 77.078 4600.0 96.8867 3600.0 103.0022 60000.0 103.0158 39000.0 END IONS BEGIN IONS SCANS=451 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 7900.0 60.0156 23000.0 60.4928 5600.0 65.4471 4800.0 69.3324 5000.0 77.9179 4600.0 81.5259 4900.0 96.8885 9400.0 104.0239 10000.0 112.7663 5300.0 END IONS BEGIN IONS SCANS=452 PEPMASS=103.0149 CHARGE=-1 COLLISION_ENERGY=0.0 55.4326 2400.0 59.0123 120000.0 76.005 21000.0 92.111 1900.0 96.8907 2500.0 97.161 2000.0 103.0162 53000.0 103.0277 2700.0 END IONS BEGIN IONS SCANS=453 PEPMASS=103.0058 CHARGE=-1 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2600.0 253.0497 21000.0 271.0589 4900.0 327.0712 4500.0 391.5549 3100.0 433.1144 85000.0 552.637 3200.0 563.0912 4100.0 END IONS BEGIN IONS SCANS=456 PEPMASS=103.0026 CHARGE=-1 COLLISION_ENERGY=0.0 54.4259 8000.0 54.9085 7600.0 59.0065 21000.0 59.0126 3400000.0 60.6197 8300.0 65.9683 8000.0 70.9735 7300.0 76.0053 27000.0 83.7938 8000.0 91.3952 7900.0 96.8904 21000.0 103.0022 150000.0 103.0156 46000.0 122.3179 8000.0 END IONS BEGIN IONS SCANS=457 PEPMASS=104.0315 CHARGE=-1 COLLISION_ENERGY=0.0 56.7923 6200.0 56.8166 8500.0 58.7085 6800.0 59.0125 13000.0 60.0156 42000.0 73.5512 7700.0 78.9213 7400.0 82.6152 7000.0 89.3318 7400.0 104.0241 14000.0 END IONS BEGIN IONS SCANS=458 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 590000.0 68.0001 36000.0 69.7144 40000.0 77.3047 36000.0 84.9921 60000.0 85.0028 10000000.0 90.0676 31000.0 96.8913 39000.0 END IONS BEGIN IONS SCANS=459 PEPMASS=205.0339 CHARGE=-1 COLLISION_ENERGY=0.0 53.5269 2100.0 62.2434 2100.0 68.6022 2300.0 71.0488 3200.0 72.3226 2100.0 80.0017 2100.0 85.3439 2200.0 87.0072 2900.0 96.6778 2900.0 99.0435 28000.0 101.0229 27000.0 111.0077 3800.0 115.0384 13000.0 116.2346 2000.0 125.0227 84000.0 130.9075 2400.0 143.0331 14000.0 143.0689 2600.0 145.0126 46000.0 187.0235 27000.0 205.035 40000.0 205.0713 2600.0 END IONS BEGIN IONS SCANS=460 PEPMASS=191.0179 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 15000.0 58.9574 2700.0 65.1434 2100.0 67.0173 3200.0 73.0275 2300.0 78.2587 2400.0 80.221 2800.0 85.0279 120000.0 85.0339 4400.0 86.6758 2100.0 87.0072 170000.0 87.0139 4600.0 87.0147 3000.0 96.8912 2300.0 98.6001 2100.0 102.9472 32000.0 111.0072 540000.0 129.0175 31000.0 129.2577 2400.0 140.5104 2600.0 141.2735 2100.0 146.9379 6900.0 147.0286 3600.0 154.9975 5200.0 160.4418 2300.0 173.0088 7800.0 191.019 62000.0 END IONS BEGIN IONS SCANS=461 PEPMASS=142.049 CHARGE=-1 COLLISION_ENERGY=0.0 51.5359 2400.0 53.7984 2200.0 58.0285 3600.0 58.1207 2100.0 64.6004 1900.0 96.8877 3900.0 98.0594 5400.0 100.0387 70000.0 115.012 2700.0 141.8943 2600.0 142.0233 2600.0 142.0391 13000.0 142.0502 4000.0 END IONS BEGIN IONS SCANS=462 PEPMASS=351.1289 CHARGE=-1 COLLISION_ENERGY=0.0 51.5351 2500.0 53.4894 2400.0 59.907 2300.0 73.0276 25000.0 90.8942 2800.0 90.9895 2400.0 93.0324 4600.0 95.0485 11000.0 96.8904 5400.0 111.0433 10000.0 113.0589 5600.0 121.0275 7600.0 135.6687 2600.0 149.2529 2600.0 155.0332 6300.0 157.0491 5500.0 173.0437 26000.0 175.0281 3300.0 175.0597 660000.0 225.3677 2600.0 234.6013 2800.0 289.2776 2600.0 306.4697 2800.0 351.1286 7200.0 END IONS BEGIN IONS SCANS=463 PEPMASS=175.0607 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 25000.0 58.0043 16000.0 71.0122 28000.0 73.0279 1100000.0 73.0332 37000.0 83.0482 20000.0 85.0276 58000.0 93.0327 320000.0 95.0483 450000.0 96.8909 18000.0 104.5609 16000.0 110.6641 16000.0 111.0431 340000.0 113.0591 190000.0 120.7761 16000.0 121.0275 360000.0 129.0539 66000.0 137.0223 23000.0 139.0386 24000.0 141.8504 16000.0 155.0331 170000.0 157.0493 180000.0 166.3795 18000.0 173.0435 630000.0 175.0597 4400000.0 175.0864 35000.0 175.0903 25000.0 193.2808 20000.0 END IONS BEGIN IONS SCANS=464 PEPMASS=132.8652 CHARGE=-1 COLLISION_ENERGY=0.0 51.5362 2500.0 58.8998 2100.0 71.0122 25000.0 72.9913 3600.0 76.3732 2100.0 96.8863 3100.0 115.0019 39000.0 132.8662 240000.0 133.0129 10000.0 END IONS BEGIN IONS SCANS=465 PEPMASS=176.0622 CHARGE=-1 COLLISION_ENERGY=0.0 51.5286 2400.0 51.7821 2100.0 54.3271 2100.0 56.7489 1900.0 58.0046 3200.0 66.2272 2000.0 73.028 59000.0 74.0312 38000.0 86.0312 4400.0 93.0325 2100.0 94.0362 24000.0 95.0485 8000.0 96.0519 35000.0 96.8903 2500.0 109.3794 2300.0 111.0434 6100.0 112.0467 30000.0 114.0629 14000.0 122.031 35000.0 156.0371 19000.0 158.0521 12000.0 174.0474 53000.0 176.0634 370000.0 END IONS BEGIN IONS SCANS=466 PEPMASS=191.0186 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 9400.0 57.4505 2100.0 58.9578 2900.0 78.2291 2200.0 85.0278 68000.0 87.0072 110000.0 96.8884 3100.0 101.0236 2500.0 102.9475 35000.0 108.3318 2300.0 111.0072 320000.0 129.0172 20000.0 139.9394 2400.0 141.5176 2100.0 146.9372 9900.0 173.0085 4800.0 191.019 39000.0 END IONS BEGIN IONS SCANS=467 PEPMASS=221.0657 CHARGE=-1 COLLISION_ENERGY=0.0 60.3566 2100.0 73.0278 4100.0 78.8026 2400.0 80.6532 2500.0 82.5436 2300.0 95.3223 2600.0 96.5224 2400.0 96.8892 2800.0 102.1344 2300.0 173.0441 2500.0 175.0598 82000.0 213.555 2000.0 END IONS BEGIN IONS SCANS=468 PEPMASS=133.0119 CHARGE=-1 COLLISION_ENERGY=0.0 71.0122 45000.0 72.9915 11000.0 81.9557 2000.0 86.5548 2500.0 89.0225 6800.0 96.8888 3800.0 98.0225 2100.0 108.653 2000.0 115.002 88000.0 116.2655 2100.0 132.8515 2500.0 132.8663 200000.0 133.0126 19000.0 141.8627 2100.0 146.4742 2400.0 147.0084 2000.0 END IONS BEGIN IONS SCANS=469 PEPMASS=134.863 CHARGE=-1 COLLISION_ENERGY=0.0 51.5406 2400.0 53.7488 1900.0 75.0332 2300.0 77.8579 2100.0 96.887 2400.0 100.4274 1800.0 122.8561 2300.0 134.8638 270000.0 146.8338 2200.0 END IONS BEGIN IONS SCANS=470 PEPMASS=104.0053 CHARGE=-1 COLLISION_ENERGY=0.0 51.536 6700.0 59.0126 17000.0 60.0158 38000.0 60.4827 4500.0 64.9111 4700.0 72.5466 11000.0 79.0229 4900.0 96.8847 10000.0 96.8915 29000.0 104.024 18000.0 108.2149 4700.0 END IONS BEGIN IONS SCANS=471 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 54.6993 9700.0 59.0127 3300000.0 63.0257 7700.0 76.0053 35000.0 77.0783 8800.0 96.8889 15000.0 102.4986 8800.0 103.0022 150000.0 103.0163 53000.0 109.9532 9200.0 END IONS BEGIN IONS SCANS=472 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 500000.0 68.0002 39000.0 69.7983 36000.0 72.7776 56000.0 85.0028 9600000.0 96.8845 54000.0 96.8904 170000.0 96.8976 35000.0 99.5792 32000.0 END IONS BEGIN IONS SCANS=473 PEPMASS=103.0025 CHARGE=-1 COLLISION_ENERGY=0.0 58.9971 6000.0 59.0127 3900000.0 59.0189 23000.0 68.5486 7200.0 74.6168 7700.0 76.0052 36000.0 77.0779 8700.0 96.8872 8200.0 103.0022 160000.0 103.016 56000.0 118.023 7700.0 END IONS BEGIN IONS SCANS=474 PEPMASS=251.094 CHARGE=-1 COLLISION_ENERGY=0.0 65.2864 2700.0 71.9483 3000.0 79.2977 2400.0 79.9556 39000.0 80.9637 65000.0 120.8302 2300.0 163.7966 2300.0 183.9271 2300.0 194.0545 2600.0 207.1054 26000.0 233.0836 19000.0 251.0586 3100.0 251.0953 280000.0 END IONS BEGIN IONS SCANS=475 PEPMASS=310.9462 CHARGE=-1 COLLISION_ENERGY=0.0 63.559 2200.0 83.9947 18000.0 84.6486 2600.0 85.0026 70000.0 87.9237 3800.0 96.8896 4700.0 101.9264 2900.0 102.9347 4200.0 103.9185 6100.0 104.9263 9000.0 105.934 11000.0 111.9347 5100.0 113.9273 3300.0 114.0277 2500.0 115.9422 41000.0 119.3729 2400.0 123.9446 31000.0 128.9377 13000.0 140.9381 4700.0 144.6157 2500.0 147.9565 2900.0 148.9395 5200.0 152.9372 2800.0 173.9357 8400.0 183.944 11000.0 187.9387 2900.0 191.9461 31000.0 209.9204 2300.0 242.9449 9600.0 243.9546 5400.0 259.9482 27000.0 310.9493 8000.0 311.1684 33000.0 END IONS BEGIN IONS SCANS=476 PEPMASS=103.0118 CHARGE=-1 COLLISION_ENERGY=0.0 59.0066 9400.0 59.0127 1800000.0 67.6576 4400.0 76.0053 29000.0 77.0778 5900.0 103.0022 70000.0 103.0161 55000.0 END IONS BEGIN IONS SCANS=477 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 470000.0 60.5626 24000.0 82.8316 25000.0 85.0028 9200000.0 92.1897 26000.0 END IONS BEGIN IONS SCANS=478 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 56.7525 5900.0 59.0125 21000.0 60.0155 44000.0 69.9244 6300.0 71.1076 7100.0 88.205 6800.0 88.6659 8300.0 96.4862 7700.0 104.0238 27000.0 END IONS BEGIN IONS SCANS=479 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 64.343 36000.0 68.0 53000.0 85.0028 12000000.0 85.0133 61000.0 96.89 52000.0 END IONS BEGIN IONS SCANS=480 PEPMASS=103.0082 CHARGE=-1 COLLISION_ENERGY=0.0 54.6993 9700.0 59.0127 3300000.0 63.0257 7700.0 76.0053 35000.0 77.0783 8800.0 96.8889 15000.0 102.4986 8800.0 103.0022 150000.0 103.0163 53000.0 109.9532 9200.0 END IONS BEGIN IONS SCANS=481 PEPMASS=295.029 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 53000.0 80.5727 2500.0 90.1436 2100.0 96.889 4000.0 103.002 170000.0 108.0549 2200.0 182.4902 2400.0 285.5255 2600.0 END IONS BEGIN IONS SCANS=482 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0068 2200.0 57.0333 22000.0 59.0126 8800.0 67.0172 2900.0 71.0124 16000.0 75.7754 2200.0 79.0814 2300.0 83.0119 6400.0 85.0278 90000.0 87.0071 130000.0 87.924 4600.0 96.886 6800.0 96.8928 3500.0 97.9562 2700.0 99.007 11000.0 101.0229 4100.0 102.9471 36000.0 111.0072 390000.0 112.9863 45000.0 124.3199 2300.0 129.0176 30000.0 146.9372 7700.0 156.9254 2400.0 171.9887 2200.0 173.0078 8000.0 191.0187 45000.0 193.1613 2500.0 END IONS BEGIN IONS SCANS=483 PEPMASS=226.9953 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 18000.0 59.0125 3400.0 60.5219 2400.0 60.6606 2200.0 68.9968 3300.0 71.0122 23000.0 73.0278 5300.0 74.2374 2600.0 83.0121 13000.0 85.0275 18000.0 87.0068 3300.0 96.8904 4000.0 99.0068 100000.0 111.0069 65000.0 112.9862 130000.0 129.0173 28000.0 142.9969 14000.0 173.0073 34000.0 191.0182 3800.0 203.3461 2500.0 219.0447 2400.0 226.9944 11000.0 END IONS BEGIN IONS SCANS=484 PEPMASS=219.0136 CHARGE=-1 COLLISION_ENERGY=0.0 55.1254 2200.0 55.1789 2200.0 57.0332 4600.0 58.4589 1900.0 63.782 1900.0 63.8676 2100.0 71.0123 8200.0 73.0282 2500.0 73.5257 2300.0 78.4054 2400.0 83.0122 3100.0 83.2263 2000.0 85.0283 5500.0 93.947 2600.0 95.0368 2100.0 96.8892 7500.0 99.007 15000.0 111.0071 8400.0 112.9865 10000.0 129.0179 9000.0 142.9969 3900.0 166.9442 2500.0 192.1158 2600.0 210.114 2300.0 END IONS BEGIN IONS SCANS=485 PEPMASS=254.0131 CHARGE=-1 COLLISION_ENERGY=0.0 61.9871 380000.0 74.2726 3300.0 96.8914 2700.0 132.0073 2400.0 142.9972 4000.0 154.4471 2300.0 END IONS BEGIN IONS SCANS=486 PEPMASS=295.0313 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 190000.0 96.8867 3700.0 103.0023 680000.0 111.1106 3100.0 113.6216 2900.0 134.9302 3800.0 140.7179 3200.0 153.414 3100.0 309.9997 3100.0 316.918 3700.0 END IONS BEGIN IONS SCANS=487 PEPMASS=129.0174 CHARGE=-1 COLLISION_ENERGY=0.0 51.5288 2400.0 56.2058 2100.0 57.0332 5000.0 67.0173 11000.0 73.2351 2200.0 82.9557 2200.0 85.0281 2500.0 96.8881 3300.0 100.195 2100.0 102.0077 2300.0 102.0203 2800.0 114.2119 2200.0 114.3721 2200.0 129.0148 3200.0 129.0324 2400.0 129.0448 2600.0 130.0954 2000.0 145.4698 2300.0 147.3293 2400.0 END IONS BEGIN IONS SCANS=488 PEPMASS=99.0066 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 5200.0 53.0019 3100.0 53.1181 1900.0 53.9596 2100.0 57.3488 1900.0 64.4593 2100.0 68.657 1900.0 68.997 2500.0 71.0124 81000.0 96.8874 2000.0 98.9544 4900.0 99.0076 10000.0 99.0183 19000.0 106.5927 1900.0 106.9162 1900.0 110.2022 1900.0 END IONS BEGIN IONS SCANS=489 PEPMASS=142.9967 CHARGE=-1 COLLISION_ENERGY=0.0 51.5227 2300.0 53.0021 6300.0 64.5162 2000.0 68.9967 2600.0 71.0123 19000.0 71.9617 2000.0 73.8218 1900.0 80.9968 2100.0 87.0074 3400.0 89.0132 2600.0 96.2474 2200.0 96.886 2800.0 96.8913 5100.0 96.9919 6700.0 112.9865 17000.0 116.0241 4500.0 117.993 2000.0 118.0017 2000.0 124.9864 29000.0 140.9823 5200.0 142.9972 61000.0 143.0238 5500.0 143.0353 23000.0 156.6069 1900.0 158.9929 3000.0 END IONS BEGIN IONS SCANS=490 PEPMASS=226.9959 CHARGE=-1 COLLISION_ENERGY=0.0 52.2281 2200.0 57.0332 11000.0 57.1163 2200.0 61.0749 2200.0 70.2901 2000.0 71.0124 13000.0 73.0282 3800.0 83.0124 8600.0 85.0278 10000.0 96.8876 5700.0 99.0072 55000.0 101.0229 2500.0 102.4619 2200.0 111.0072 32000.0 112.9865 70000.0 129.0175 16000.0 129.1131 2300.0 142.9974 8700.0 156.4458 2400.0 171.1921 2600.0 173.0071 23000.0 174.7874 2600.0 191.0199 2800.0 226.9971 8600.0 END IONS BEGIN IONS SCANS=491 PEPMASS=111.0067 CHARGE=-1 COLLISION_ENERGY=0.0 51.9079 2000.0 55.0176 21000.0 65.9973 2500.0 83.0122 58000.0 96.8901 3500.0 106.7673 2200.0 111.0076 9500.0 END IONS BEGIN IONS SCANS=492 PEPMASS=173.007 CHARGE=-1 COLLISION_ENERGY=0.0 51.5381 2100.0 53.0016 2800.0 55.0175 11000.0 57.0332 4600.0 59.0123 13000.0 62.0306 2000.0 65.1219 2300.0 67.0173 3900.0 68.9967 3700.0 71.0123 160000.0 71.0174 3400.0 72.9918 4800.0 73.0281 8100.0 76.2808 2300.0 80.9964 2900.0 83.0123 20000.0 84.9914 2900.0 85.0279 8400.0 87.007 4400.0 94.1357 2500.0 96.8892 5400.0 99.007 68000.0 99.3323 2400.0 111.0072 16000.0 112.9863 160000.0 115.0023 7800.0 124.9861 31000.0 129.018 4200.0 140.9824 3100.0 142.997 170000.0 145.0141 4000.0 147.9833 2300.0 172.4359 2500.0 173.0076 24000.0 191.3369 2100.0 END IONS BEGIN IONS SCANS=493 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 470000.0 58.2623 37000.0 85.0028 10000000.0 END IONS BEGIN IONS SCANS=494 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 17000.0 60.0159 33000.0 72.8059 17000.0 80.4738 8600.0 87.538 8400.0 96.8847 18000.0 96.8914 43000.0 98.2234 8000.0 104.0242 25000.0 END IONS BEGIN IONS SCANS=495 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 56.4214 31000.0 57.992 560000.0 65.3026 34000.0 70.3398 32000.0 74.757 33000.0 77.334 29000.0 84.9919 51000.0 85.0027 10000000.0 90.9492 32000.0 94.6705 35000.0 96.8915 47000.0 END IONS BEGIN IONS SCANS=496 PEPMASS=163.0236 CHARGE=-1 COLLISION_ENERGY=0.0 52.1687 2000.0 65.0131 510000.0 69.0965 2100.0 79.3533 2300.0 82.3072 1900.0 91.9267 2100.0 97.7102 2400.0 105.8357 2100.0 118.9914 7000.0 130.7477 2100.0 132.361 2400.0 END IONS BEGIN IONS SCANS=497 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.0127 22000.0 60.0157 41000.0 89.2239 7300.0 96.8892 17000.0 104.0244 7900.0 END IONS BEGIN IONS SCANS=498 PEPMASS=191.0173 CHARGE=-1 COLLISION_ENERGY=0.0 57.0331 12000.0 59.0121 4300.0 71.0122 14000.0 82.5632 2400.0 83.0121 3700.0 85.0278 45000.0 87.007 65000.0 87.9234 2500.0 96.8914 7300.0 97.8178 2300.0 99.0076 8000.0 102.9471 22000.0 111.0069 200000.0 112.9861 35000.0 115.0034 3000.0 115.2717 2600.0 129.0175 13000.0 146.9373 6600.0 167.6307 2600.0 173.0083 3400.0 187.0934 2300.0 191.0185 21000.0 196.4319 2300.0 END IONS BEGIN IONS SCANS=499 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 52.0052 4900.0 55.4061 4900.0 57.6206 5300.0 59.0123 29000.0 60.0157 50000.0 75.5409 5000.0 93.0094 5100.0 104.0058 5400.0 104.024 11000.0 111.4554 5400.0 113.9947 5600.0 END IONS BEGIN IONS SCANS=500 PEPMASS=104.0311 CHARGE=-1 COLLISION_ENERGY=0.0 56.7525 5900.0 59.0125 21000.0 60.0155 44000.0 69.9244 6300.0 71.1076 7100.0 88.205 6800.0 88.6659 8300.0 96.4862 7700.0 104.0238 27000.0 END IONS BEGIN IONS SCANS=501 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 490000.0 73.32 64000.0 85.0028 10000000.0 85.0133 67000.0 96.8869 160000.0 END IONS BEGIN IONS SCANS=502 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 56.0285 29000.0 57.9921 370000.0 61.2255 27000.0 70.2352 33000.0 85.0028 7900000.0 96.8905 38000.0 END IONS BEGIN IONS SCANS=503 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 53.8788 4300.0 54.9794 5100.0 57.5569 5000.0 59.0127 2100000.0 66.206 5100.0 76.005 29000.0 77.0781 5300.0 96.8907 7400.0 103.002 89000.0 103.0157 51000.0 109.2734 5300.0 111.2721 5000.0 123.4025 5000.0 END IONS BEGIN IONS SCANS=504 PEPMASS=295.0264 CHARGE=-1 COLLISION_ENERGY=0.0 51.5371 2600.0 59.0122 23000.0 66.1286 2500.0 96.8892 5800.0 103.0021 100000.0 114.525 2500.0 166.3405 2300.0 194.2712 2400.0 230.1046 2800.0 END IONS BEGIN IONS SCANS=505 PEPMASS=85.006 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 360000.0 63.896 24000.0 65.0114 22000.0 68.0003 28000.0 84.2472 22000.0 85.0028 7600000.0 85.0134 41000.0 86.2661 22000.0 96.8893 47000.0 END IONS BEGIN IONS SCANS=506 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 52.1263 32000.0 54.8195 30000.0 57.9921 510000.0 59.1602 31000.0 59.524 31000.0 61.3036 29000.0 61.3567 33000.0 67.0996 30000.0 67.9997 46000.0 74.736 29000.0 85.0029 10000000.0 END IONS BEGIN IONS SCANS=507 PEPMASS=261.0852 CHARGE=-1 COLLISION_ENERGY=0.0 54.0529 2500.0 58.21 2100.0 59.0123 4200.0 61.951 2100.0 64.012 2300.0 70.0283 12000.0 72.0438 5800.0 74.023 93000.0 92.1552 2100.0 96.887 3800.0 98.023 25000.0 106.1342 2400.0 116.0335 76000.0 127.7521 2200.0 128.0338 8000.0 130.9428 2900.0 132.0441 27000.0 139.5784 2400.0 140.9762 2200.0 144.0451 5000.0 174.9323 5800.0 201.0655 19000.0 202.5103 2100.0 249.4771 2300.0 261.087 30000.0 278.811 2400.0 END IONS BEGIN IONS SCANS=508 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.5205 45000.0 52.4778 38000.0 57.9921 660000.0 85.0027 13000000.0 87.0689 35000.0 96.8852 43000.0 96.8904 64000.0 END IONS BEGIN IONS SCANS=509 PEPMASS=191.0175 CHARGE=-1 COLLISION_ENERGY=0.0 50.7614 2000.0 57.0334 8300.0 58.9574 3100.0 59.0245 2300.0 66.1118 2100.0 67.0173 2500.0 80.1341 2400.0 85.0279 73000.0 87.0071 110000.0 96.8895 4300.0 102.9471 37000.0 108.5922 2200.0 111.0072 330000.0 129.0174 16000.0 146.9372 7700.0 154.997 2300.0 170.9838 2400.0 173.0078 6900.0 183.1882 2600.0 191.0191 37000.0 214.1257 2600.0 END IONS BEGIN IONS SCANS=510 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5732 5100.0 55.7863 5000.0 59.0122 7200.0 60.0158 25000.0 60.4808 8300.0 62.7714 5100.0 75.2361 5900.0 78.5929 5100.0 96.8905 7900.0 104.0241 11000.0 104.2333 4400.0 124.1215 4900.0 END IONS BEGIN IONS SCANS=511 PEPMASS=104.0283 CHARGE=-1 COLLISION_ENERGY=0.0 51.422 5400.0 51.5233 5100.0 78.4734 5700.0 96.8895 15000.0 103.9186 180000.0 104.0243 11000.0 113.7608 6400.0 END IONS BEGIN IONS SCANS=512 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 53.1908 5900.0 59.0127 7600.0 59.7108 5800.0 60.0159 26000.0 62.6429 6500.0 66.8821 5900.0 68.2391 6200.0 68.5239 5600.0 74.5747 6100.0 94.8171 8000.0 96.8905 9800.0 104.0238 24000.0 END IONS BEGIN IONS SCANS=513 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 56.9451 41000.0 57.9921 620000.0 62.9439 38000.0 65.5216 37000.0 68.0003 42000.0 71.9501 47000.0 72.9317 38000.0 79.8614 35000.0 85.0028 11000000.0 91.6132 37000.0 96.8906 49000.0 END IONS BEGIN IONS SCANS=514 PEPMASS=103.0142 CHARGE=-1 COLLISION_ENERGY=0.0 57.6414 6200.0 59.0126 2500000.0 59.0204 7400.0 76.0051 33000.0 77.078 8800.0 78.9546 5500.0 85.2186 6500.0 85.39 5600.0 90.3549 5800.0 103.0018 110000.0 103.0163 43000.0 103.0836 5500.0 END IONS BEGIN IONS SCANS=515 PEPMASS=84.996 CHARGE=-1 COLLISION_ENERGY=0.0 51.5199 35000.0 54.1829 34000.0 57.9921 570000.0 68.0 58000.0 74.6863 34000.0 76.1704 35000.0 85.0028 13000000.0 85.0135 75000.0 90.2572 33000.0 90.6383 35000.0 94.2302 30000.0 96.8875 42000.0 END IONS BEGIN IONS SCANS=516 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 51.33 5400.0 59.0124 7800.0 60.0157 21000.0 60.8051 5400.0 67.7006 7100.0 73.1943 6200.0 74.94 6100.0 77.8888 6100.0 90.7693 6500.0 96.8863 6300.0 96.8917 8500.0 104.024 20000.0 121.9739 6700.0 END IONS BEGIN IONS SCANS=517 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.179 32000.0 51.5247 32000.0 57.992 370000.0 61.3753 34000.0 67.9998 29000.0 78.4259 28000.0 79.1154 31000.0 82.0444 30000.0 85.0028 7800000.0 END IONS BEGIN IONS SCANS=518 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 550000.0 59.479 35000.0 60.1189 32000.0 61.0022 36000.0 61.2182 31000.0 67.7077 33000.0 68.0001 48000.0 74.2143 30000.0 82.6203 32000.0 85.0027 9000000.0 96.8896 46000.0 END IONS BEGIN IONS SCANS=519 PEPMASS=105.0207 CHARGE=-1 COLLISION_ENERGY=0.0 50.3473 1800.0 51.889 2100.0 53.342 1900.0 61.0165 2500.0 63.5566 2000.0 68.3327 2300.0 72.7755 2000.0 85.9465 1900.0 96.889 3900.0 96.9107 2200.0 110.3862 2500.0 110.3956 1900.0 END IONS BEGIN IONS SCANS=520 PEPMASS=163.0235 CHARGE=-1 COLLISION_ENERGY=0.0 65.0131 500000.0 65.8645 2100.0 73.2232 1900.0 84.6726 2000.0 96.9388 2200.0 98.6568 2400.0 118.9907 6700.0 134.2024 2300.0 162.8378 2900.0 180.5379 2500.0 END IONS BEGIN IONS SCANS=521 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 1100000.0 76.0051 26000.0 88.005 2600.0 88.5445 2300.0 96.8873 2300.0 103.002 38000.0 103.0161 58000.0 103.0284 4200.0 106.9507 2200.0 107.5658 2200.0 110.392 2300.0 END IONS BEGIN IONS SCANS=522 PEPMASS=84.9991 CHARGE=-1 COLLISION_ENERGY=0.0 56.7915 33000.0 57.9918 450000.0 61.5837 28000.0 70.2193 36000.0 85.0027 9400000.0 85.0704 33000.0 87.6107 29000.0 96.89 50000.0 END IONS BEGIN IONS SCANS=523 PEPMASS=104.0201 CHARGE=-1 COLLISION_ENERGY=0.0 51.7079 6100.0 56.7789 7000.0 60.016 13000.0 60.8132 7100.0 62.77 6600.0 75.6531 7200.0 96.8638 6300.0 96.8897 8500.0 104.0248 6600.0 105.2666 6200.0 END IONS BEGIN IONS SCANS=524 PEPMASS=104.0319 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 11000.0 60.0159 13000.0 62.7346 6800.0 72.7887 14000.0 89.6351 6700.0 96.887 29000.0 96.8929 13000.0 104.0243 14000.0 END IONS BEGIN IONS SCANS=525 PEPMASS=435.1277 CHARGE=-1 COLLISION_ENERGY=0.0 64.118 2500.0 85.248 2600.0 93.033 5400.0 109.0281 5700.0 116.4668 2500.0 119.0478 2700.0 122.0364 3000.0 123.0433 20000.0 134.0353 3100.0 135.0433 18000.0 136.0515 6200.0 137.0595 4700.0 145.8985 2500.0 148.0149 6800.0 149.0233 3900.0 150.0314 4300.0 151.0385 29000.0 161.0234 9800.0 162.0307 24000.0 163.0388 43000.0 165.0175 2500.0 165.0534 3400.0 167.0341 3200.0 174.916 2800.0 175.0389 3800.0 179.0356 3600.0 181.0486 7700.0 189.0177 7300.0 190.0263 49000.0 191.0343 65000.0 192.0407 2900.0 193.0492 3400.0 202.027 3900.0 203.0349 4400.0 204.0455 3300.0 208.038 2800.0 209.0448 36000.0 220.0378 32000.0 221.0444 26000.0 230.0272 3300.0 239.0561 13000.0 243.1028 3200.0 269.081 4200.0 271.0986 3600.0 276.556 3500.0 283.0992 3200.0 297.0777 40000.0 299.094 6300.0 309.0767 6200.0 315.088 220000.0 327.0865 12000.0 345.0989 70000.0 357.1 4700.0 399.1035 3100.0 417.1191 12000.0 435.1296 94000.0 END IONS BEGIN IONS SCANS=526 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 510000.0 64.4785 28000.0 68.0002 33000.0 84.992 77000.0 85.0027 11000000.0 85.0263 30000.0 96.8902 41000.0 END IONS BEGIN IONS SCANS=527 PEPMASS=104.0293 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 17000.0 60.0159 33000.0 72.8059 17000.0 80.4738 8600.0 87.538 8400.0 96.8847 18000.0 96.8914 43000.0 98.2234 8000.0 104.0242 25000.0 END IONS BEGIN IONS SCANS=528 PEPMASS=104.0282 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 11000.0 60.0159 13000.0 62.7346 6800.0 72.7887 14000.0 89.6351 6700.0 96.887 29000.0 96.8929 13000.0 104.0243 14000.0 END IONS BEGIN IONS SCANS=529 PEPMASS=310.9459 CHARGE=-1 COLLISION_ENERGY=0.0 51.5252 3100.0 64.9737 2500.0 69.0077 2700.0 71.4366 2500.0 71.9526 2200.0 80.1958 2500.0 83.6127 2300.0 83.9946 25000.0 85.0026 97000.0 87.9238 7900.0 99.9468 2200.0 101.9272 3100.0 102.9347 6200.0 103.9189 11000.0 104.2718 2300.0 104.9262 8800.0 105.9343 11000.0 106.9418 2900.0 111.9349 3200.0 113.9262 3700.0 115.9421 46000.0 123.9444 43000.0 124.9422 3000.0 126.4975 2400.0 128.9375 12000.0 129.9214 3000.0 129.9454 3100.0 131.9368 3900.0 134.7983 2300.0 140.9383 2500.0 147.9565 3500.0 148.9401 6400.0 173.9365 7800.0 175.9514 3700.0 183.011 4700.0 183.9443 9900.0 191.9464 25000.0 207.4086 2600.0 241.9377 3500.0 242.9457 6700.0 243.9544 4800.0 259.9473 32000.0 310.9489 7100.0 311.169 43000.0 END IONS BEGIN IONS SCANS=530 PEPMASS=102.0084 CHARGE=-1 COLLISION_ENERGY=0.0 52.4969 1700.0 53.7997 2100.0 59.0123 18000.0 61.0043 2100.0 74.4794 2000.0 87.3572 2100.0 96.8869 2500.0 96.8922 2600.0 102.0079 16000.0 109.1381 2000.0 END IONS BEGIN IONS SCANS=531 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.1945 37000.0 54.6609 39000.0 57.9921 650000.0 66.4409 45000.0 69.0305 43000.0 80.6524 41000.0 85.0028 12000000.0 85.0136 73000.0 95.6577 41000.0 96.8893 46000.0 104.7054 40000.0 END IONS BEGIN IONS SCANS=532 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 9000.0 60.0159 23000.0 61.0758 7600.0 61.0882 7300.0 72.7302 9300.0 80.1579 6600.0 96.8877 32000.0 96.8937 17000.0 98.9289 7300.0 104.0245 14000.0 END IONS BEGIN IONS SCANS=533 PEPMASS=103.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.6929 2300.0 59.0126 710000.0 61.1802 2100.0 61.3037 2000.0 76.0049 12000.0 77.7744 2300.0 78.2306 2200.0 78.9569 2100.0 95.7901 2500.0 100.8824 2200.0 103.0021 31000.0 103.0159 37000.0 111.3965 2100.0 114.9023 2100.0 115.6593 2200.0 END IONS BEGIN IONS SCANS=534 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 50.5076 26000.0 50.8039 30000.0 51.5217 28000.0 51.6664 28000.0 57.9921 510000.0 58.5262 29000.0 61.8028 28000.0 63.0772 29000.0 67.9998 29000.0 78.1474 27000.0 85.0028 9700000.0 85.0135 71000.0 96.8873 30000.0 END IONS BEGIN IONS SCANS=535 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 55.0987 5900.0 60.0156 5800.0 63.7251 5200.0 69.6199 5100.0 72.8588 5300.0 76.0529 5200.0 84.0319 4900.0 96.8886 8200.0 104.0243 12000.0 END IONS BEGIN IONS SCANS=536 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 50.1593 34000.0 57.9921 520000.0 59.1056 35000.0 65.107 36000.0 67.9999 54000.0 85.0028 11000000.0 85.0134 69000.0 94.3806 45000.0 96.8869 48000.0 END IONS BEGIN IONS SCANS=537 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 52.1945 37000.0 54.6609 39000.0 57.9921 650000.0 66.4409 45000.0 69.0305 43000.0 80.6524 41000.0 85.0028 12000000.0 85.0136 73000.0 95.6577 41000.0 96.8893 46000.0 104.7054 40000.0 END IONS BEGIN IONS SCANS=538 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 390000.0 85.0028 7400000.0 96.8917 34000.0 97.316 26000.0 101.7527 24000.0 END IONS BEGIN IONS SCANS=539 PEPMASS=103.0124 CHARGE=-1 COLLISION_ENERGY=0.0 51.3174 3300.0 55.1671 2800.0 58.9971 3800.0 59.0065 9100.0 59.0126 1500000.0 76.005 23000.0 77.0782 5300.0 83.1974 3000.0 90.8735 3200.0 96.8885 5200.0 103.0021 55000.0 103.0162 68000.0 END IONS BEGIN IONS SCANS=540 PEPMASS=103.0153 CHARGE=-1 COLLISION_ENERGY=0.0 51.4954 2200.0 59.0127 610000.0 76.0051 16000.0 82.0038 2100.0 92.6085 2000.0 96.7422 2200.0 103.0023 22000.0 103.0163 39000.0 103.0285 2900.0 END IONS BEGIN IONS SCANS=541 PEPMASS=104.0319 CHARGE=-1 COLLISION_ENERGY=0.0 55.9712 7000.0 56.3702 7200.0 59.0123 8400.0 60.0157 11000.0 60.4625 7200.0 69.8325 6400.0 73.5303 6300.0 104.0241 18000.0 124.4371 7300.0 END IONS BEGIN IONS SCANS=542 PEPMASS=104.0325 CHARGE=-1 COLLISION_ENERGY=0.0 51.439 4300.0 51.5134 4900.0 54.9379 4500.0 59.0125 4600.0 60.0158 15000.0 69.5362 4300.0 78.3042 4200.0 96.8872 7700.0 101.6875 4400.0 104.024 14000.0 113.2913 4500.0 122.8467 4700.0 END IONS BEGIN IONS SCANS=543 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 51.5324 8900.0 76.358 5900.0 96.8904 14000.0 104.0235 14000.0 115.1993 6800.0 124.6966 7600.0 END IONS BEGIN IONS SCANS=544 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 450000.0 68.0002 35000.0 76.0656 46000.0 85.0028 9600000.0 END IONS BEGIN IONS SCANS=545 PEPMASS=237.0787 CHARGE=-1 COLLISION_ENERGY=0.0 56.1455 2300.0 69.7529 2400.0 70.0878 2100.0 71.3162 2400.0 79.9559 49000.0 80.9635 53000.0 87.0507 2900.0 96.8876 3100.0 107.4683 2600.0 134.4485 2600.0 193.0894 8400.0 219.0693 7600.0 237.0798 310000.0 END IONS BEGIN IONS SCANS=546 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.8459 37000.0 57.992 510000.0 67.9999 69000.0 69.834 35000.0 85.0028 12000000.0 85.0133 71000.0 96.8913 45000.0 END IONS BEGIN IONS SCANS=547 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 400000.0 69.2352 29000.0 78.4431 25000.0 85.0029 7300000.0 96.8887 47000.0 END IONS BEGIN IONS SCANS=548 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 52.5358 23000.0 57.992 410000.0 64.5427 24000.0 70.163 27000.0 71.4098 28000.0 85.0028 7000000.0 85.0135 51000.0 96.89 67000.0 100.0551 23000.0 END IONS BEGIN IONS SCANS=549 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 51.5191 2100.0 54.8295 2100.0 57.0332 19000.0 66.0776 2200.0 66.325 2100.0 67.0169 2400.0 75.363 2100.0 83.4395 2400.0 85.0279 93000.0 87.0071 130000.0 87.2603 2300.0 87.3246 2400.0 87.9236 3000.0 101.023 2400.0 102.9472 25000.0 111.0073 420000.0 129.0176 22000.0 146.9375 8200.0 147.0267 3100.0 154.3161 2200.0 158.9034 2400.0 160.0223 2100.0 172.3197 2300.0 173.0077 7400.0 191.0189 51000.0 191.0546 2800.0 END IONS BEGIN IONS SCANS=550 PEPMASS=103.0054 CHARGE=-1 COLLISION_ENERGY=0.0 51.537 2100.0 59.0126 820000.0 67.666 2000.0 68.3131 2200.0 76.0051 20000.0 77.078 2500.0 88.0052 2200.0 96.8896 6200.0 103.0021 31000.0 103.0158 44000.0 103.0284 3900.0 116.92 2100.0 END IONS BEGIN IONS SCANS=551 PEPMASS=157.012 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 790000.0 59.0122 2900.0 67.0174 3600.0 69.033 8100.0 70.6 2100.0 71.0119 2900.0 71.8726 2100.0 85.0279 51000.0 96.888 2700.0 102.0081 13000.0 113.0228 150000.0 118.7066 2900.0 142.3673 3000.0 157.0127 22000.0 157.0507 4200.0 157.1212 2800.0 END IONS BEGIN IONS SCANS=552 PEPMASS=125.0219 CHARGE=-1 COLLISION_ENERGY=0.0 58.5093 1900.0 59.8633 2000.0 62.88 2000.0 65.8304 1900.0 67.018 2500.0 73.4849 1900.0 76.6282 1800.0 81.033 6400.0 87.0488 2100.0 125.0232 6900.0 END IONS BEGIN IONS SCANS=553 PEPMASS=187.0228 CHARGE=-1 COLLISION_ENERGY=0.0 53.2224 2400.0 57.4023 2200.0 67.0174 4200.0 81.0332 10000.0 96.8881 3900.0 99.0433 85000.0 115.0385 4000.0 125.0224 280000.0 126.7435 2100.0 143.033 12000.0 143.0695 2200.0 187.0238 15000.0 END IONS BEGIN IONS SCANS=554 PEPMASS=187.0239 CHARGE=-1 COLLISION_ENERGY=0.0 58.4746 2200.0 67.0173 4000.0 75.2343 2600.0 81.0333 20000.0 99.0436 150000.0 99.0525 2700.0 99.9234 2600.0 115.0383 7500.0 119.0976 3000.0 125.0229 510000.0 125.039 4200.0 125.0415 3900.0 126.9832 2300.0 129.8533 2100.0 143.0336 18000.0 155.0938 2300.0 156.101 2000.0 187.0241 25000.0 193.3911 2400.0 END IONS BEGIN IONS SCANS=555 PEPMASS=223.0626 CHARGE=-1 COLLISION_ENERGY=0.0 51.5383 2900.0 61.2774 2600.0 63.541 2200.0 74.9922 2200.0 79.9557 42000.0 80.9635 83000.0 81.3946 2400.0 93.9749 2200.0 96.8868 3300.0 127.0129 2200.0 179.073 30000.0 189.2091 2300.0 205.0526 26000.0 223.0638 330000.0 END IONS BEGIN IONS SCANS=556 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 56.6902 30000.0 57.9921 500000.0 57.9956 56000.0 62.609 40000.0 64.0728 30000.0 66.0882 35000.0 68.0001 47000.0 85.0028 11000000.0 85.0133 59000.0 93.6459 41000.0 96.8869 38000.0 END IONS BEGIN IONS SCANS=557 PEPMASS=223.064 CHARGE=-1 COLLISION_ENERGY=0.0 61.9736 2000.0 79.9558 53000.0 80.9636 94000.0 101.2066 2500.0 105.3666 2700.0 107.1637 2500.0 125.0631 2300.0 140.9447 2100.0 160.681 2300.0 179.0731 28000.0 184.9078 2300.0 205.0533 35000.0 223.0639 410000.0 END IONS BEGIN IONS SCANS=558 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 57.2792 6400.0 59.0126 6700.0 60.0157 10000.0 63.7381 6100.0 65.2429 6400.0 65.9547 5900.0 66.6063 6600.0 66.6273 5400.0 71.9506 6200.0 72.1067 5800.0 96.8907 15000.0 97.5904 6500.0 104.0237 16000.0 END IONS BEGIN IONS SCANS=559 PEPMASS=86.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 8500.0 58.989 2100.0 58.9955 6300.0 86.0 70000.0 86.0062 210000.0 96.8894 3600.0 END IONS BEGIN IONS SCANS=560 PEPMASS=103.0136 CHARGE=-1 COLLISION_ENERGY=0.0 59.0083 3000.0 59.0089 3800.0 59.0125 210000.0 76.0049 24000.0 88.0048 2100.0 96.8923 2500.0 103.016 59000.0 103.0291 2300.0 114.1392 2200.0 123.4995 2500.0 END IONS BEGIN IONS SCANS=561 PEPMASS=85.0122 CHARGE=-1 COLLISION_ENERGY=0.0 51.9842 29000.0 57.9921 360000.0 65.7635 29000.0 85.0028 7600000.0 88.1544 34000.0 96.8909 47000.0 END IONS BEGIN IONS SCANS=562 PEPMASS=163.0237 CHARGE=-1 COLLISION_ENERGY=0.0 61.987 6800.0 65.0131 350000.0 90.8944 2600.0 96.8891 2700.0 109.4684 2200.0 118.9914 3300.0 124.4119 2100.0 135.7655 2100.0 162.8377 34000.0 END IONS BEGIN IONS SCANS=563 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 50.0028 7300.0 55.9237 9300.0 57.0667 7500.0 59.0123 11000.0 60.0159 24000.0 62.1651 7200.0 67.3213 7900.0 72.183 7900.0 72.3564 7500.0 86.3232 7900.0 87.6288 8500.0 96.8862 16000.0 96.8921 19000.0 104.0241 21000.0 116.6956 8700.0 124.73 7800.0 END IONS BEGIN IONS SCANS=564 PEPMASS=84.9963 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 530000.0 63.9194 38000.0 71.2504 38000.0 76.3739 40000.0 84.595 42000.0 85.0028 11000000.0 96.887 86000.0 96.8925 52000.0 99.022 41000.0 END IONS BEGIN IONS SCANS=565 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 620000.0 59.806 35000.0 60.555 34000.0 63.8981 31000.0 67.9999 59000.0 85.0028 12000000.0 92.3781 35000.0 96.8871 51000.0 END IONS BEGIN IONS SCANS=566 PEPMASS=243.8814 CHARGE=-1 COLLISION_ENERGY=0.0 51.0799 2400.0 53.214 2300.0 60.0249 2600.0 61.9823 380000.0 75.0365 2400.0 77.6379 2600.0 96.8953 3700.0 99.9167 11000.0 106.9092 57000.0 115.5218 2500.0 119.9137 4300.0 119.9219 2500.0 147.8381 2200.0 150.9204 2400.0 151.9008 5500.0 152.8873 5000.0 152.899 67000.0 152.9117 3300.0 162.0445 2300.0 178.9111 2700.0 180.9751 8900.0 193.4232 2800.0 196.9865 2500.0 197.8911 120000.0 198.889 190000.0 199.8355 2500.0 200.8437 6600.0 204.9744 5400.0 224.9801 4400.0 243.8561 5000.0 243.8814 120000.0 243.9007 1600.0 244.8793 5000.0 END IONS BEGIN IONS SCANS=567 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 52.3425 34000.0 57.992 500000.0 76.6285 38000.0 81.1595 33000.0 81.1982 37000.0 85.0028 11000000.0 88.896 41000.0 END IONS BEGIN IONS SCANS=568 PEPMASS=146.954 CHARGE=-1 COLLISION_ENERGY=0.0 58.9531 14000.0 60.0578 2100.0 61.9823 460000.0 68.9892 3800.0 77.9454 2200.0 87.9174 25000.0 89.9177 6000.0 90.2726 2100.0 90.9157 10000.0 90.9255 13000.0 91.9231 17000.0 93.9388 3500.0 96.8954 3200.0 99.9169 5100.0 100.9248 4300.0 102.9238 11000.0 102.9398 45000.0 103.9282 2700.0 115.911 5200.0 117.9089 13000.0 118.9145 7400.0 120.5985 2200.0 146.8869 3000.0 146.9546 6000.0 146.9762 13000.0 146.9947 3800.0 END IONS BEGIN IONS SCANS=569 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 53.9952 31000.0 57.9921 630000.0 65.8098 39000.0 67.1344 33000.0 68.0 52000.0 68.4358 32000.0 71.9407 55000.0 76.5559 35000.0 84.9891 47000.0 85.0028 12000000.0 85.0135 81000.0 85.2744 35000.0 96.8881 53000.0 END IONS BEGIN IONS SCANS=570 PEPMASS=104.0283 CHARGE=-1 COLLISION_ENERGY=0.0 50.9812 6100.0 51.5228 6900.0 60.1126 6500.0 60.4686 6700.0 64.2292 6000.0 85.0544 5200.0 92.2825 6500.0 96.8871 6000.0 104.0245 21000.0 110.736 5500.0 114.3057 6200.0 END IONS BEGIN IONS SCANS=571 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 69.694 4500.0 91.0654 4300.0 96.8896 4700.0 104.0239 12000.0 108.2756 4400.0 120.2943 4800.0 END IONS BEGIN IONS SCANS=572 PEPMASS=104.0324 CHARGE=-1 COLLISION_ENERGY=0.0 51.5186 6000.0 59.0122 7100.0 60.0159 7300.0 66.9246 5500.0 75.1502 5800.0 85.1659 6600.0 87.0677 7200.0 89.1484 6900.0 104.0242 13000.0 104.2516 5900.0 107.5335 6100.0 109.8375 5300.0 109.8866 6400.0 END IONS BEGIN IONS SCANS=573 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 57.5234 34000.0 57.9921 590000.0 67.9998 34000.0 70.6871 33000.0 83.7366 36000.0 84.9924 54000.0 84.9938 49000.0 85.0028 10000000.0 95.1718 35000.0 96.8896 66000.0 END IONS BEGIN IONS SCANS=574 PEPMASS=179.055 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 17000.0 59.0125 100000.0 60.4581 2700.0 71.0122 17000.0 73.028 3800.0 81.0335 2600.0 83.0123 74000.0 85.0277 3200.0 87.0435 4400.0 89.0229 12000.0 96.8884 2600.0 99.0067 5500.0 101.0229 220000.0 101.0319 2400.0 107.6546 2000.0 117.0542 4300.0 161.0441 4700.0 179.0547 43000.0 END IONS BEGIN IONS SCANS=575 PEPMASS=179.0537 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 21000.0 59.0124 150000.0 63.9913 2200.0 65.4573 2600.0 71.0123 20000.0 73.0283 5500.0 81.0331 5100.0 83.0122 100000.0 85.0275 4200.0 87.0436 6300.0 89.0227 15000.0 96.8855 2500.0 96.8919 2800.0 99.0076 3800.0 101.0229 280000.0 107.4791 2500.0 117.0546 7600.0 121.6104 2300.0 131.035 2000.0 135.0656 2500.0 154.4095 2200.0 161.0441 4900.0 162.036 2400.0 179.0545 57000.0 191.1746 2200.0 195.7387 2500.0 END IONS BEGIN IONS SCANS=576 PEPMASS=191.0173 CHARGE=-1 COLLISION_ENERGY=0.0 51.5122 2500.0 56.0965 2300.0 57.0333 8600.0 61.3607 2100.0 71.0122 2200.0 72.9914 2400.0 78.1591 1900.0 82.6724 2100.0 85.0278 46000.0 85.4234 2200.0 87.0071 69000.0 89.0227 5200.0 93.3119 2300.0 101.0228 19000.0 102.9472 31000.0 111.0071 210000.0 114.7728 2300.0 129.0174 11000.0 129.0543 13000.0 137.1846 2000.0 145.6318 2300.0 146.9373 8000.0 154.9975 3800.0 173.0088 7800.0 173.045 3200.0 183.8892 2200.0 191.0188 24000.0 191.0544 12000.0 194.7641 2700.0 210.5111 2800.0 END IONS BEGIN IONS SCANS=577 PEPMASS=85.0001 CHARGE=-1 COLLISION_ENERGY=0.0 51.5218 29000.0 57.992 380000.0 67.559 27000.0 68.0 30000.0 82.1482 25000.0 84.9921 35000.0 85.0027 8400000.0 96.8885 68000.0 END IONS BEGIN IONS SCANS=578 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 560000.0 62.4555 33000.0 67.9999 68000.0 75.8768 34000.0 85.0028 10000000.0 87.0698 30000.0 96.8888 52000.0 END IONS BEGIN IONS SCANS=579 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 74.3424 4300.0 77.5504 5400.0 78.1173 5200.0 96.8916 14000.0 102.0588 4900.0 103.9187 140000.0 104.0238 16000.0 END IONS BEGIN IONS SCANS=580 PEPMASS=84.9972 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 500000.0 58.0377 26000.0 68.0002 36000.0 84.9265 25000.0 84.992 62000.0 85.0028 9100000.0 96.889 40000.0 END IONS BEGIN IONS SCANS=581 PEPMASS=104.0204 CHARGE=-1 COLLISION_ENERGY=0.0 50.9293 5500.0 60.0157 5900.0 82.7254 5500.0 91.1122 5200.0 92.9011 7000.0 96.7382 6100.0 96.8884 8100.0 104.024 13000.0 END IONS BEGIN IONS SCANS=582 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 71.8559 5000.0 78.9953 5500.0 96.8879 11000.0 100.9367 4700.0 103.9186 97000.0 104.0246 11000.0 111.6392 5400.0 116.9024 5000.0 END IONS BEGIN IONS SCANS=583 PEPMASS=163.0234 CHARGE=-1 COLLISION_ENERGY=0.0 58.146 2200.0 58.4742 2400.0 60.4644 2300.0 65.0131 340000.0 71.8601 2400.0 78.9723 2100.0 85.5866 2000.0 118.9918 6500.0 119.0487 2500.0 127.362 2500.0 134.4576 2100.0 135.6425 2100.0 153.2836 2000.0 162.8388 4000.0 181.0649 2100.0 END IONS BEGIN IONS SCANS=584 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 560000.0 63.1152 34000.0 68.0002 33000.0 70.7468 28000.0 80.4378 28000.0 84.9923 58000.0 85.0028 9900000.0 88.8288 30000.0 96.0404 29000.0 96.8898 36000.0 END IONS BEGIN IONS SCANS=585 PEPMASS=223.0638 CHARGE=-1 COLLISION_ENERGY=0.0 59.1026 2200.0 59.838 2100.0 62.1368 2300.0 79.9558 63000.0 80.9637 61000.0 92.2392 2200.0 96.8882 2500.0 105.293 2200.0 109.5666 2300.0 141.447 2400.0 149.6655 2300.0 179.0738 9400.0 205.0535 9200.0 223.0639 350000.0 240.5475 2200.0 END IONS BEGIN IONS SCANS=586 PEPMASS=223.0625 CHARGE=-1 COLLISION_ENERGY=0.0 55.1691 2100.0 79.9558 52000.0 80.9636 50000.0 83.8109 2400.0 87.5011 2400.0 96.8887 3100.0 131.5114 2100.0 169.627 2100.0 179.0727 5000.0 205.0531 8600.0 211.6499 2400.0 223.0637 330000.0 END IONS BEGIN IONS SCANS=587 PEPMASS=191.0175 CHARGE=-1 COLLISION_ENERGY=0.0 52.1484 2100.0 55.135 2400.0 56.8673 2400.0 57.0333 13000.0 57.6268 2500.0 85.0278 80000.0 85.2902 2300.0 87.0069 120000.0 89.0234 2500.0 90.1414 2400.0 96.8878 4500.0 101.0227 13000.0 102.947 37000.0 111.007 360000.0 117.0186 2200.0 123.9946 2200.0 129.0174 19000.0 129.0536 7000.0 146.9367 13000.0 154.9969 5600.0 173.0083 7300.0 173.0451 2500.0 184.8145 2300.0 191.018 39000.0 191.0548 7200.0 END IONS BEGIN IONS SCANS=588 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 450000.0 68.0002 56000.0 85.0029 9500000.0 96.8896 52000.0 END IONS BEGIN IONS SCANS=589 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 50.8165 29000.0 57.5834 31000.0 57.9919 430000.0 67.1069 30000.0 67.48 29000.0 68.0001 30000.0 68.3034 26000.0 83.7544 27000.0 84.8873 29000.0 84.992 92000.0 85.0028 11000000.0 85.0165 42000.0 96.8903 39000.0 END IONS BEGIN IONS SCANS=590 PEPMASS=85.0083 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 560000.0 62.4555 33000.0 67.9999 68000.0 75.8768 34000.0 85.0028 10000000.0 87.0698 30000.0 96.8888 52000.0 END IONS BEGIN IONS SCANS=591 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 71.8559 5000.0 78.9953 5500.0 96.8879 11000.0 100.9367 4700.0 103.9186 97000.0 104.0246 11000.0 111.6392 5400.0 116.9024 5000.0 END IONS BEGIN IONS SCANS=592 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 41000.0 57.9921 600000.0 59.7463 33000.0 64.9997 31000.0 68.0003 58000.0 84.5301 32000.0 84.9921 97000.0 85.0028 13000000.0 END IONS BEGIN IONS SCANS=593 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 55.6082 6400.0 65.2269 8300.0 67.1394 8200.0 68.4487 7000.0 73.2494 7100.0 80.043 7000.0 96.8867 18000.0 96.8924 11000.0 99.2762 8100.0 104.024 17000.0 115.0822 6500.0 END IONS BEGIN IONS SCANS=594 PEPMASS=85.012 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 41000.0 57.9921 600000.0 59.7463 33000.0 64.9997 31000.0 68.0003 58000.0 84.5301 32000.0 84.9921 97000.0 85.0028 13000000.0 END IONS BEGIN IONS SCANS=595 PEPMASS=103.0132 CHARGE=-1 COLLISION_ENERGY=0.0 51.5314 4500.0 59.0065 11000.0 59.0127 1600000.0 76.0052 26000.0 77.0779 4700.0 84.4787 4100.0 96.8896 11000.0 103.0022 69000.0 103.016 55000.0 116.9317 4000.0 END IONS BEGIN IONS SCANS=596 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 53.6385 34000.0 57.9921 410000.0 65.04 31000.0 69.9226 33000.0 83.8985 31000.0 85.0027 8000000.0 94.8581 34000.0 96.8889 46000.0 END IONS BEGIN IONS SCANS=597 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 56.8061 32000.0 57.992 560000.0 68.0 56000.0 72.5557 31000.0 77.0855 37000.0 79.4386 29000.0 85.0028 10000000.0 94.66 28000.0 94.668 32000.0 96.888 39000.0 101.5112 31000.0 END IONS BEGIN IONS SCANS=598 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.0975 6000.0 51.5129 6200.0 56.0125 6700.0 59.9761 8000.0 60.0156 5600.0 60.5635 5500.0 70.247 5800.0 78.3194 6700.0 78.6582 7000.0 96.8885 12000.0 104.0244 21000.0 END IONS BEGIN IONS SCANS=599 PEPMASS=103.002 CHARGE=-1 COLLISION_ENERGY=0.0 52.0927 2100.0 56.1492 1900.0 57.353 2000.0 58.3565 2100.0 58.7379 1900.0 59.0126 310000.0 69.7821 1900.0 73.6801 1900.0 76.0049 13000.0 80.2439 2100.0 86.2153 2100.0 96.8867 3100.0 96.8921 2200.0 99.9082 2100.0 103.0022 8200.0 103.0159 30000.0 103.0285 2200.0 END IONS BEGIN IONS SCANS=600 PEPMASS=169.9793 CHARGE=-1 COLLISION_ENERGY=0.0 56.9663 2000.0 58.3425 2000.0 60.4664 2400.0 61.9868 16000.0 65.5355 2300.0 73.5419 3500.0 85.0026 500000.0 87.072 2300.0 96.8891 9300.0 143.0359 2500.0 151.2984 2400.0 167.6255 2000.0 169.8663 5400.0 177.7048 2100.0 END IONS BEGIN IONS SCANS=601 PEPMASS=133.0119 CHARGE=-1 COLLISION_ENERGY=0.0 55.8678 2000.0 61.6588 1900.0 68.0914 1900.0 71.0125 59000.0 72.9917 12000.0 75.0072 2100.0 75.8331 1900.0 89.023 8500.0 92.4768 2000.0 96.8896 8200.0 109.8146 2100.0 115.0021 100000.0 132.8664 120000.0 133.013 29000.0 133.0389 2300.0 END IONS BEGIN IONS SCANS=602 PEPMASS=313.1132 CHARGE=-1 COLLISION_ENERGY=0.0 58.2 2300.0 59.0126 4500.0 71.0127 9500.0 73.0275 2400.0 89.0229 2700.0 101.0229 12000.0 105.0547 3200.0 113.0229 3700.0 136.4093 2500.0 139.4151 2400.0 156.5683 3100.0 157.2073 2300.0 161.0452 11000.0 200.8181 2300.0 206.4032 2600.0 236.0952 2300.0 267.108 55000.0 281.3985 2200.0 313.1159 4600.0 END IONS BEGIN IONS SCANS=603 PEPMASS=283.0768 CHARGE=-1 COLLISION_ENERGY=0.0 53.8286 2200.0 61.987 210000.0 72.2789 2300.0 96.8914 3500.0 100.0958 2200.0 105.9498 2300.0 169.0359 2200.0 268.4314 2600.0 278.3577 2500.0 END IONS BEGIN IONS SCANS=604 PEPMASS=104.0324 CHARGE=-1 COLLISION_ENERGY=0.0 77.0082 7500.0 96.8855 5900.0 104.0241 12000.0 END IONS BEGIN IONS SCANS=605 PEPMASS=84.9985 CHARGE=-1 COLLISION_ENERGY=0.0 51.4452 28000.0 57.9922 490000.0 67.6841 31000.0 84.3484 28000.0 85.0029 9500000.0 85.0136 71000.0 96.8861 69000.0 96.8917 72000.0 END IONS BEGIN IONS SCANS=606 PEPMASS=330.1039 CHARGE=-1 COLLISION_ENERGY=0.0 56.5628 2700.0 61.9871 370000.0 87.302 2300.0 126.7654 2800.0 158.9523 2400.0 257.3419 2900.0 260.3864 2400.0 END IONS BEGIN IONS SCANS=607 PEPMASS=330.1023 CHARGE=-1 COLLISION_ENERGY=0.0 59.8315 2800.0 61.9869 210000.0 61.9914 4700.0 62.7254 2900.0 67.2787 2300.0 77.9243 2100.0 100.7383 2300.0 101.8119 2600.0 104.3274 2400.0 114.0094 2400.0 165.5335 2600.0 268.5295 2700.0 270.4217 2300.0 275.2952 2400.0 316.5934 2400.0 END IONS BEGIN IONS SCANS=608 PEPMASS=209.0478 CHARGE=-1 COLLISION_ENERGY=0.0 52.4049 2400.0 60.2632 2400.0 63.4213 2300.0 70.2012 2100.0 71.8536 2000.0 79.9558 54000.0 80.9637 110000.0 85.0283 4900.0 89.8773 2200.0 92.6252 2600.0 92.9943 2500.0 123.4338 2300.0 165.0578 41000.0 191.0376 30000.0 209.0483 360000.0 END IONS BEGIN IONS SCANS=609 PEPMASS=191.0192 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 46000.0 59.0127 4100.0 67.0174 11000.0 71.0128 3000.0 77.0993 2700.0 85.0279 290000.0 87.0072 450000.0 89.0229 4200.0 96.8863 5000.0 96.8922 6500.0 100.1988 2600.0 101.0229 19000.0 102.2567 2600.0 102.9471 7000.0 103.0384 3200.0 111.0073 1300000.0 111.0199 7100.0 111.0229 6700.0 115.9192 3700.0 129.0177 61000.0 129.0537 14000.0 130.997 5100.0 147.0293 6100.0 154.9973 11000.0 173.0077 22000.0 189.9516 2900.0 191.0187 150000.0 191.0538 16000.0 END IONS BEGIN IONS SCANS=610 PEPMASS=191.0182 CHARGE=-1 COLLISION_ENERGY=0.0 51.7067 2600.0 57.0332 33000.0 59.0123 2800.0 59.3723 2400.0 67.0173 6700.0 85.0279 210000.0 87.0072 330000.0 88.0056 2200.0 89.023 4200.0 96.886 3500.0 96.8921 3600.0 101.0229 20000.0 102.947 6300.0 111.0073 960000.0 115.9192 2700.0 117.0182 3000.0 118.1389 2800.0 129.0178 48000.0 129.0536 15000.0 130.9975 2900.0 147.0285 7200.0 154.9964 5700.0 161.8613 2500.0 173.0074 16000.0 191.0189 100000.0 191.0548 18000.0 END IONS BEGIN IONS SCANS=611 PEPMASS=239.0754 CHARGE=-1 COLLISION_ENERGY=0.0 53.0968 2400.0 60.5988 2300.0 62.3196 2100.0 65.6717 2200.0 68.9839 2500.0 71.9769 2200.0 73.8882 2400.0 96.8903 4400.0 127.8058 2300.0 185.5511 2200.0 193.0717 6900.0 END IONS BEGIN IONS SCANS=612 PEPMASS=205.0339 CHARGE=-1 COLLISION_ENERGY=0.0 50.1554 2100.0 58.4488 2100.0 61.9871 7600.0 68.5892 2100.0 81.034 2100.0 85.0282 2100.0 94.855 2400.0 96.8877 3500.0 97.4188 2300.0 99.0435 31000.0 99.9242 6200.0 101.0227 22000.0 111.0071 3100.0 115.0388 14000.0 120.9898 2600.0 123.4608 2300.0 125.0226 94000.0 143.0332 15000.0 145.0127 53000.0 145.0753 2300.0 148.9396 4200.0 160.928 2700.0 181.002 2600.0 185.227 2300.0 187.0235 35000.0 189.1957 2500.0 193.0861 2200.0 205.0344 44000.0 END IONS BEGIN IONS SCANS=613 PEPMASS=239.0765 CHARGE=-1 COLLISION_ENERGY=0.0 51.509 3100.0 77.2369 2100.0 87.05 2700.0 96.885 3000.0 96.8908 7200.0 101.9234 8800.0 103.0382 3600.0 132.4861 2400.0 147.9169 6900.0 151.0863 4300.0 161.0439 2700.0 189.537 2300.0 191.4595 2600.0 193.0706 4200.0 193.9105 4400.0 195.0768 5000.0 211.9204 4900.0 239.069 2500.0 END IONS BEGIN IONS SCANS=614 PEPMASS=241.8994 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 420000.0 62.3673 25000.0 103.9186 6900000.0 149.9115 4100000.0 149.9372 34000.0 167.9224 130000.0 195.879 37000.0 195.8824 43000.0 195.905 3800000.0 205.0755 30000.0 210.8873 32000.0 213.8858 38000.0 213.8913 57000.0 213.9158 2800000.0 241.8982 180000.0 260.7255 32000.0 END IONS BEGIN IONS SCANS=615 PEPMASS=103.9185 CHARGE=-1 COLLISION_ENERGY=0.0 51.3306 3500.0 51.5055 4700.0 53.0151 3400.0 96.8908 9700.0 103.9186 290000.0 104.0233 12000.0 104.3087 3600.0 106.5165 3300.0 112.7884 3800.0 112.8617 4000.0 113.2884 3700.0 END IONS BEGIN IONS SCANS=616 PEPMASS=195.9052 CHARGE=-1 COLLISION_ENERGY=0.0 61.9824 4300.0 61.9831 7500.0 61.987 380000.0 87.924 8500.0 96.889 12000.0 103.8839 8800.0 103.9043 59000.0 103.9077 29000.0 103.9189 7800000.0 103.9303 56000.0 103.9332 56000.0 103.9377 24000.0 103.9413 8900.0 103.9497 7800.0 103.9574 6000.0 107.4683 4600.0 119.0592 4000.0 149.9117 1100000.0 167.9223 94000.0 195.905 37000.0 213.9156 63000.0 END IONS BEGIN IONS SCANS=617 PEPMASS=242.8975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5037 2300.0 55.191 2400.0 60.9636 2500.0 61.9868 31000.0 62.9842 3200.0 91.9886 2400.0 96.8871 4100.0 96.8923 2700.0 103.9186 130000.0 104.919 240000.0 115.4626 2200.0 122.892 2800.0 127.2998 3300.0 130.8997 2500.0 146.9944 2200.0 149.9115 57000.0 150.896 3800.0 150.9119 160000.0 167.9226 3200.0 168.9222 15000.0 170.8724 2500.0 186.3801 2400.0 195.9052 23000.0 196.905 140000.0 213.9156 34000.0 214.9156 250000.0 214.9461 2800.0 242.9013 9700.0 259.8982 2400.0 END IONS BEGIN IONS SCANS=618 PEPMASS=239.9032 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 50000.0 69.9788 2600.0 82.0572 2300.0 96.8894 9400.0 101.9234 760000.0 108.7338 2600.0 147.9163 480000.0 165.9268 32000.0 193.8849 3600.0 193.9098 320000.0 211.9205 560000.0 239.9026 16000.0 END IONS BEGIN IONS SCANS=619 PEPMASS=245.8929 CHARGE=-1 COLLISION_ENERGY=0.0 50.1823 2400.0 51.5247 2400.0 52.5893 2500.0 53.6302 2400.0 57.4778 2600.0 58.8602 2200.0 59.0992 2600.0 61.9806 9200.0 61.9871 1400000.0 63.9911 16000.0 69.4664 2600.0 80.963 4800.0 96.8906 3300.0 121.9175 8500.0 153.9073 20000.0 153.9329 6400.0 194.1665 2400.0 197.9033 3700.0 199.9009 420000.0 245.8941 390000.0 END IONS BEGIN IONS SCANS=620 PEPMASS=243.8989 CHARGE=-1 COLLISION_ENERGY=0.0 59.7626 7100.0 61.9805 18000.0 61.9871 3200000.0 74.1385 6500.0 80.9629 8700.0 96.8899 20000.0 103.401 6400.0 103.9185 130000.0 105.9166 22000.0 105.923 45000.0 119.9227 21000.0 120.4397 6000.0 149.912 49000.0 151.9138 93000.0 195.9045 22000.0 197.9056 990000.0 213.916 24000.0 215.9193 100000.0 243.8988 840000.0 END IONS BEGIN IONS SCANS=621 PEPMASS=241.8975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5336 2500.0 52.1 2300.0 57.0677 2500.0 60.0996 2800.0 61.987 96000.0 86.4147 2200.0 96.89 2800.0 103.9186 320000.0 111.8296 2300.0 145.0166 2400.0 149.9117 210000.0 167.9225 21000.0 195.9049 140000.0 196.1967 2300.0 199.4791 2800.0 213.9158 310000.0 216.0847 2500.0 224.9094 2200.0 241.898 12000.0 END IONS BEGIN IONS SCANS=622 PEPMASS=241.8982 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 95000.0 62.5956 2400.0 90.8386 2400.0 96.8927 2500.0 103.9187 350000.0 121.9582 2400.0 130.6233 2100.0 146.7546 2000.0 149.8941 3300.0 149.8973 4000.0 149.9117 220000.0 167.9225 13000.0 195.9051 160000.0 213.8858 3200.0 213.8913 4300.0 213.9159 240000.0 222.7294 2800.0 241.8991 9000.0 END IONS BEGIN IONS SCANS=623 PEPMASS=242.0498 CHARGE=-1 COLLISION_ENERGY=0.0 50.5924 2400.0 54.6965 2300.0 60.9057 2200.0 61.987 160000.0 62.0769 2300.0 96.8914 3200.0 103.9186 360000.0 113.7167 2100.0 128.1373 2700.0 149.9115 200000.0 155.2538 2700.0 167.9218 21000.0 181.1834 2600.0 195.9051 120000.0 213.9157 260000.0 213.9413 3800.0 213.9455 3100.0 216.3368 2300.0 217.3939 2300.0 241.8997 5700.0 252.1152 2700.0 END IONS BEGIN IONS SCANS=624 PEPMASS=146.964 CHARGE=-1 COLLISION_ENERGY=0.0 51.5139 2700.0 61.9871 430000.0 64.9062 2000.0 96.8895 4000.0 116.9922 2200.0 141.0119 2400.0 146.964 2000.0 156.3178 2000.0 END IONS BEGIN IONS SCANS=625 PEPMASS=85.9992 CHARGE=-1 COLLISION_ENERGY=0.0 57.9923 4000.0 58.9953 4500.0 65.3602 2000.0 76.973 1700.0 79.8469 2000.0 86.0 46000.0 86.0063 140000.0 86.0127 3400.0 96.8871 2900.0 100.8196 2100.0 END IONS BEGIN IONS SCANS=626 PEPMASS=264.9133 CHARGE=-1 COLLISION_ENERGY=0.0 50.6561 2600.0 54.2296 2400.0 59.8183 2300.0 61.9869 35000.0 65.7682 2300.0 85.0027 44000.0 96.8861 4400.0 96.8915 5600.0 103.9186 330000.0 104.9264 100000.0 118.0306 2500.0 128.9374 7700.0 148.94 24000.0 149.9116 170000.0 150.9191 14000.0 160.9279 18000.0 167.9213 13000.0 168.93 200000.0 179.9101 5700.0 195.9051 98000.0 196.9123 13000.0 197.9205 11000.0 213.9157 200000.0 218.922 6700.0 236.9312 32000.0 242.5412 2900.0 264.9149 9900.0 END IONS BEGIN IONS SCANS=627 PEPMASS=240.9015 CHARGE=-1 COLLISION_ENERGY=0.0 54.3282 2100.0 56.822 2300.0 61.7167 2500.0 61.987 260000.0 73.6945 3000.0 96.8912 5400.0 101.9232 4900.0 102.9218 21000.0 103.9186 6800.0 118.9166 180000.0 121.708 2500.0 134.4126 2500.0 148.9142 16000.0 149.912 3000.0 164.9091 12000.0 194.9082 16000.0 212.9189 90000.0 213.9158 3500.0 240.2117 2300.0 240.9016 120000.0 END IONS BEGIN IONS SCANS=628 PEPMASS=287.9293 CHARGE=-1 COLLISION_ENERGY=0.0 51.5133 2500.0 57.504 2300.0 59.9487 2000.0 61.9869 18000.0 66.4048 2300.0 68.9998 1900.0 73.3607 2300.0 76.472 2400.0 80.4603 2200.0 83.995 3900.0 85.0027 41000.0 87.9243 4100.0 91.0028 2500.0 96.8858 3400.0 96.8912 5700.0 103.9185 42000.0 104.9263 76000.0 105.9341 4100.0 111.5383 2400.0 115.9425 12000.0 117.9217 5500.0 123.9449 8600.0 128.9284 2200.0 128.9379 11000.0 129.9213 3700.0 140.536 2300.0 144.9342 2300.0 148.9403 20000.0 150.9205 10000.0 152.9353 7900.0 160.9275 17000.0 167.0694 2700.0 168.9301 140000.0 191.9464 6800.0 218.9223 7700.0 219.9287 6900.0 220.9373 7000.0 236.9321 38000.0 259.9482 4100.0 287.9319 5200.0 END IONS BEGIN IONS SCANS=629 PEPMASS=248.8918 CHARGE=-1 COLLISION_ENERGY=0.0 59.7077 2100.0 60.3214 2200.0 61.8845 2100.0 61.9871 260000.0 84.937 6200.0 96.8884 3000.0 99.9241 35000.0 100.9324 5800.0 101.9396 2200.0 114.8008 2100.0 114.9479 7900.0 115.9192 20000.0 116.9273 9500.0 124.3886 2200.0 124.8504 2300.0 135.7812 2200.0 140.9113 5500.0 143.2656 2300.0 158.9374 22000.0 168.9954 3600.0 170.7013 2500.0 186.9048 56000.0 202.9285 5300.0 204.9326 7200.0 208.0439 2200.0 217.6099 2100.0 248.8946 8500.0 END IONS BEGIN IONS SCANS=630 PEPMASS=109.9975 CHARGE=-1 COLLISION_ENERGY=0.0 58.5504 2100.0 64.0053 50000.0 79.9999 4200.0 95.4482 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190.734 2300.0 END IONS BEGIN IONS SCANS=648 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 51.522 5500.0 79.1144 5900.0 79.2992 5900.0 100.5188 5700.0 104.0241 9100.0 114.9105 4900.0 123.8589 5700.0 END IONS BEGIN IONS SCANS=649 PEPMASS=85.0263 CHARGE=-1 COLLISION_ENERGY=0.0 51.5588 22000.0 57.992 550000.0 68.0003 43000.0 85.0029 12000000.0 85.0135 68000.0 85.0275 37000.0 96.8892 39000.0 END IONS BEGIN IONS SCANS=650 PEPMASS=129.018 CHARGE=-1 COLLISION_ENERGY=0.0 53.1005 2300.0 85.0279 320000.0 88.0347 2200.0 96.8878 4800.0 96.894 2600.0 102.0085 2700.0 102.0212 2400.0 111.2897 2100.0 120.3346 2100.0 129.017 14000.0 129.0321 2400.0 END IONS BEGIN IONS SCANS=651 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 50.9636 2100.0 57.941 1900.0 59.1996 1700.0 65.9969 4100.0 67.0172 35000.0 96.8871 2600.0 111.007 85000.0 END IONS BEGIN IONS SCANS=652 PEPMASS=173.0087 CHARGE=-1 COLLISION_ENERGY=0.0 67.0176 4200.0 85.0174 17000.0 85.0195 20000.0 85.028 2900000.0 85.0366 17000.0 85.0387 23000.0 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IONS SCANS=674 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 51.2885 1900.0 53.1216 2200.0 56.0727 2100.0 56.4594 1800.0 60.1 1800.0 61.4958 1900.0 79.9734 2500.0 87.0578 2600.0 96.8892 4300.0 END IONS BEGIN IONS SCANS=675 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 56.8642 27000.0 57.9921 350000.0 72.0441 38000.0 85.0028 8400000.0 87.4661 35000.0 91.1692 30000.0 96.6211 29000.0 END IONS BEGIN IONS SCANS=676 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5129 49000.0 57.7812 40000.0 57.992 540000.0 67.9998 40000.0 81.3701 34000.0 84.9922 58000.0 85.0028 11000000.0 91.983 35000.0 96.8897 57000.0 END IONS BEGIN IONS SCANS=677 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 58.9554 5700.0 68.0865 5300.0 74.3861 5200.0 74.4074 5200.0 84.2584 5700.0 96.8879 10000.0 104.0241 17000.0 END IONS BEGIN IONS SCANS=678 PEPMASS=104.0318 CHARGE=-1 COLLISION_ENERGY=0.0 58.0691 5700.0 69.0569 4700.0 72.9213 5900.0 83.6148 5700.0 96.8869 18000.0 96.8928 14000.0 103.6776 6200.0 104.0248 7500.0 104.6425 7000.0 110.4625 5600.0 END IONS BEGIN IONS SCANS=679 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 410000.0 67.9999 27000.0 69.0563 25000.0 71.3467 26000.0 72.9508 56000.0 85.0028 7200000.0 96.886 100000.0 96.8927 63000.0 END IONS BEGIN IONS SCANS=680 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 430000.0 65.9924 30000.0 68.0002 44000.0 72.2504 29000.0 85.0027 8500000.0 END IONS BEGIN IONS SCANS=681 PEPMASS=104.0324 CHARGE=-1 COLLISION_ENERGY=0.0 89.028 5100.0 96.8881 28000.0 101.4711 4800.0 104.0239 11000.0 104.5944 4800.0 END IONS BEGIN IONS SCANS=682 PEPMASS=146.9242 CHARGE=-1 COLLISION_ENERGY=0.0 58.2088 1900.0 59.7971 2000.0 68.7457 2100.0 73.6346 2200.0 81.197 2100.0 81.4368 1900.0 94.708 2200.0 102.3341 2300.0 125.3354 2300.0 146.9246 110000.0 END IONS BEGIN IONS SCANS=683 PEPMASS=192.996 CHARGE=-1 COLLISION_ENERGY=0.0 51.5076 2300.0 53.5361 2200.0 55.4528 2300.0 63.3912 2100.0 81.3611 2200.0 85.0028 660000.0 90.9319 3700.0 96.89 3000.0 144.171 2100.0 176.4911 2300.0 193.0857 4800.0 END IONS BEGIN IONS SCANS=684 PEPMASS=103.0158 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 120000.0 61.5139 2000.0 72.7235 5200.0 76.005 21000.0 83.881 2100.0 90.7012 2000.0 96.8847 4700.0 96.8916 11000.0 103.016 45000.0 103.028 2000.0 END IONS BEGIN IONS SCANS=685 PEPMASS=104.0275 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 7100.0 57.2621 7200.0 62.1569 7500.0 68.2505 6800.0 71.9414 7100.0 96.8871 12000.0 98.7517 6800.0 99.22 7700.0 104.0237 15000.0 107.9638 6600.0 124.6734 6400.0 END IONS BEGIN IONS SCANS=686 PEPMASS=129.9602 CHARGE=-1 COLLISION_ENERGY=0.0 51.5213 2000.0 51.6846 2100.0 60.465 2000.0 79.1298 2100.0 80.7705 2100.0 89.5958 1900.0 96.8872 2500.0 103.0285 11000.0 106.3221 2000.0 115.204 2100.0 129.0319 2100.0 130.0394 54000.0 140.245 2300.0 END IONS BEGIN IONS SCANS=687 PEPMASS=632.7269 CHARGE=-1 COLLISION_ENERGY=0.0 54.2563 3100.0 57.0336 3100.0 60.4786 3600.0 60.9705 2600.0 63.9853 2900.0 64.4643 2700.0 66.9939 2700.0 69.5814 3200.0 78.9562 2700.0 96.8909 3400.0 128.9577 150000.0 146.6015 2700.0 162.1217 3100.0 212.9208 11000.0 296.8829 53000.0 333.1675 3400.0 376.9239 3800.0 380.8427 15000.0 455.8618 3300.0 END IONS BEGIN IONS SCANS=688 PEPMASS=212.9202 CHARGE=-1 COLLISION_ENERGY=0.0 56.6416 2000.0 81.156 2200.0 96.8867 3100.0 96.8918 3100.0 128.9576 150000.0 128.9693 3800.0 128.9708 2000.0 221.9248 2600.0 END IONS BEGIN IONS SCANS=689 PEPMASS=296.8827 CHARGE=-1 COLLISION_ENERGY=0.0 50.5941 3700.0 53.9877 3900.0 65.6641 3000.0 73.4253 3200.0 96.8889 7100.0 128.9579 830000.0 169.9294 3100.0 186.6925 3300.0 255.0485 4500.0 END IONS BEGIN IONS SCANS=690 PEPMASS=380.8429 CHARGE=-1 COLLISION_ENERGY=0.0 50.3062 2500.0 52.746 2500.0 60.3838 2400.0 72.464 6400.0 89.8928 2700.0 96.8848 5500.0 96.8915 16000.0 113.2137 2900.0 113.7511 3100.0 128.9578 590000.0 128.9748 3800.0 128.9771 3200.0 130.5284 2300.0 145.0059 3000.0 171.2623 2500.0 212.9198 32000.0 280.0108 3000.0 296.8801 4200.0 297.2733 2600.0 308.7443 2800.0 END IONS BEGIN IONS 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14000.0 54.9252 13000.0 55.206 12000.0 56.9424 14000.0 57.5604 15000.0 57.7175 13000.0 57.8849 14000.0 59.7865 15000.0 60.4525 17000.0 60.7858 13000.0 62.1702 14000.0 62.1743 13000.0 63.3083 13000.0 63.4805 14000.0 64.1031 15000.0 65.3536 14000.0 65.7151 14000.0 66.6092 14000.0 68.6262 13000.0 70.5393 15000.0 71.0842 12000.0 71.3836 14000.0 74.3702 18000.0 75.1246 15000.0 75.4345 12000.0 75.6043 13000.0 76.1696 15000.0 76.959 12000.0 78.0 14000.0 78.7291 16000.0 78.9606 13000.0 79.3492 15000.0 79.6425 13000.0 80.2682 15000.0 81.025 13000.0 81.0513 14000.0 84.5265 15000.0 85.4748 13000.0 85.8175 14000.0 85.8646 14000.0 90.7472 12000.0 95.9348 12000.0 96.6184 16000.0 96.8905 20000.0 99.1262 15000.0 100.9853 14000.0 103.1787 13000.0 104.1094 13000.0 104.2848 13000.0 104.3737 13000.0 105.5003 13000.0 109.4522 13000.0 110.6213 13000.0 116.9634 13000.0 120.3685 15000.0 120.9778 12000.0 121.4381 15000.0 122.2909 13000.0 123.2559 13000.0 127.6335 13000.0 128.2547 13000.0 128.2859 14000.0 130.6892 14000.0 132.5963 13000.0 134.3387 14000.0 135.1429 12000.0 135.2009 14000.0 138.5449 13000.0 139.2466 16000.0 144.64 13000.0 147.2256 14000.0 END IONS BEGIN IONS SCANS=695 PEPMASS=298.8805 CHARGE=-1 COLLISION_ENERGY=0.0 51.5382 2700.0 72.4382 4400.0 96.8856 9100.0 96.8926 8800.0 101.9185 2400.0 109.1854 3000.0 117.5291 2200.0 128.9577 120000.0 130.9556 56000.0 170.3479 2200.0 227.9154 2600.0 END IONS BEGIN IONS SCANS=696 PEPMASS=130.9554 CHARGE=-1 COLLISION_ENERGY=0.0 51.9458 1800.0 60.7569 2200.0 65.1875 2100.0 65.7957 1900.0 65.9973 4600.0 68.7677 2400.0 68.8971 2200.0 72.5227 4100.0 82.1234 2000.0 96.8867 13000.0 96.8936 5300.0 97.2347 2200.0 104.0003 2300.0 119.4707 2400.0 130.9296 73000.0 131.0342 16000.0 END IONS BEGIN IONS SCANS=697 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 52.1073 39000.0 57.992 690000.0 85.0028 12000000.0 96.8896 55000.0 END IONS BEGIN IONS SCANS=698 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 52.1073 39000.0 57.992 690000.0 85.0028 12000000.0 96.8896 55000.0 END IONS BEGIN IONS SCANS=699 PEPMASS=169.9792 CHARGE=-1 COLLISION_ENERGY=0.0 61.9868 19000.0 65.9971 3800.0 85.0027 650000.0 85.0132 3200.0 96.8912 4900.0 169.8677 3700.0 END IONS BEGIN IONS SCANS=700 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 51.6672 3900.0 53.5422 3600.0 60.4719 3700.0 64.0052 3900.0 72.8393 4800.0 81.2544 3800.0 86.6797 4200.0 95.4679 4400.0 96.8881 21000.0 103.3866 3500.0 104.0242 11000.0 106.9548 3800.0 END IONS BEGIN IONS SCANS=701 PEPMASS=84.9953 CHARGE=-1 COLLISION_ENERGY=0.0 51.2756 30000.0 57.9921 520000.0 59.5112 35000.0 67.9345 34000.0 68.0002 51000.0 85.0029 9400000.0 96.8888 51000.0 END IONS BEGIN IONS SCANS=702 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 54.0531 4500.0 63.2763 5300.0 71.357 4200.0 74.8084 4200.0 104.0248 6000.0 111.3605 5100.0 116.215 4900.0 END IONS BEGIN IONS SCANS=703 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5156 2800.0 59.0124 130000.0 60.4595 2000.0 64.5719 2000.0 72.5881 1900.0 76.0049 16000.0 76.1231 2700.0 98.1401 2000.0 103.0161 38000.0 103.0288 1900.0 END IONS BEGIN IONS SCANS=704 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 67.6055 6300.0 73.964 6500.0 74.0876 6400.0 84.6696 5900.0 86.6596 6100.0 96.887 19000.0 96.8927 9200.0 104.024 21000.0 108.3143 6200.0 END IONS BEGIN IONS SCANS=705 PEPMASS=163.0234 CHARGE=-1 COLLISION_ENERGY=0.0 61.9868 5500.0 65.0131 390000.0 90.4219 2100.0 96.8898 4300.0 118.6425 1900.0 118.9915 6700.0 125.6356 2400.0 152.5694 2700.0 154.6664 2100.0 161.6962 2500.0 162.8374 14000.0 163.0006 2300.0 END IONS BEGIN IONS SCANS=706 PEPMASS=181.0714 CHARGE=-1 COLLISION_ENERGY=0.0 50.3327 22000.0 55.0176 47000.0 56.2475 19000.0 57.0334 39000.0 58.0045 27000.0 59.0125 1300000.0 64.4435 18000.0 69.0331 24000.0 71.0124 1500000.0 71.0207 21000.0 72.9913 21000.0 73.0279 580000.0 83.0123 120000.0 85.0279 290000.0 87.0069 61000.0 87.0433 22000.0 89.0229 1100000.0 89.9287 21000.0 91.0383 36000.0 95.0119 36000.0 96.8893 28000.0 97.0275 120000.0 101.0229 1700000.0 101.032 30000.0 103.0384 28000.0 113.0228 270000.0 115.0381 110000.0 119.0334 200000.0 127.8677 23000.0 131.0329 91000.0 143.034 35000.0 149.0439 62000.0 161.0444 38000.0 163.0597 240000.0 181.0705 3300000.0 181.3545 21000.0 END IONS BEGIN IONS SCANS=707 PEPMASS=227.0764 CHARGE=-1 COLLISION_ENERGY=0.0 50.6201 2000.0 53.6653 2300.0 55.0175 2200.0 56.7069 2200.0 59.0123 22000.0 70.0109 2000.0 71.0123 24000.0 73.0276 5700.0 75.4719 2200.0 85.0275 4600.0 86.0095 2100.0 86.3841 2000.0 89.0225 22000.0 89.0578 2400.0 96.8895 6700.0 101.0226 35000.0 112.3031 2600.0 113.0224 5100.0 119.0327 3100.0 140.3297 2100.0 142.9904 3400.0 163.0591 10000.0 181.0702 340000.0 186.1111 2600.0 210.994 2400.0 END IONS BEGIN IONS SCANS=708 PEPMASS=182.0728 CHARGE=-1 COLLISION_ENERGY=0.0 57.0328 2200.0 59.0123 59000.0 60.0156 27000.0 66.4922 2500.0 71.0124 57000.0 72.0155 49000.0 73.0276 24000.0 74.0311 17000.0 74.4239 2000.0 85.0279 5400.0 86.031 14000.0 89.0228 41000.0 90.0259 38000.0 96.0149 2500.0 96.8907 3100.0 97.0272 2600.0 98.0312 6900.0 101.0227 39000.0 102.0262 75000.0 113.0227 4300.0 114.0262 15000.0 115.6255 2100.0 116.0413 5300.0 119.0326 5200.0 120.0362 7300.0 122.7911 2000.0 132.0378 3200.0 162.0466 2500.0 164.0632 20000.0 182.0736 190000.0 END IONS BEGIN IONS SCANS=709 PEPMASS=181.0578 CHARGE=-1 COLLISION_ENERGY=0.0 50.4991 25000.0 55.0134 350000.0 57.0289 230000.0 58.0002 160000.0 59.0018 51000.0 59.008 7600000.0 60.0113 110000.0 67.9222 29000.0 69.0281 220000.0 71.0071 8500000.0 71.0151 39000.0 72.0104 160000.0 72.9862 110000.0 73.0184 76000.0 73.0226 2900000.0 73.0674 28000.0 74.0258 68000.0 75.0018 42000.0 83.0063 670000.0 84.0094 29000.0 85.0217 1500000.0 87.0009 210000.0 87.037 60000.0 88.0085 35000.0 89.0163 4400000.0 90.0196 87000.0 91.0317 170000.0 95.0054 260000.0 96.8975 91000.0 97.0209 530000.0 98.9999 77000.0 99.036 27000.0 100.5565 23000.0 101.0155 8400000.0 101.0906 28000.0 102.0186 250000.0 103.0309 100000.0 113.0147 1300000.0 114.018 40000.0 115.0301 320000.0 119.0248 550000.0 121.0402 91000.0 125.0135 38000.0 127.0291 81000.0 131.024 520000.0 143.0237 190000.0 149.0333 150000.0 161.0324 160000.0 163.0347 57000.0 163.0482 1100000.0 163.0618 63000.0 164.0511 50000.0 179.0417 51000.0 181.0575 10000000.0 181.0902 85000.0 182.0611 550000.0 182.5791 25000.0 END IONS BEGIN IONS SCANS=710 PEPMASS=84.0014 CHARGE=-1 COLLISION_ENERGY=0.0 52.9535 2100.0 57.9877 7000.0 84.9828 5500.0 84.9966 96000.0 85.0008 1400.0 96.8919 2000.0 96.8978 2600.0 98.1109 2000.0 99.917 16000.0 END IONS BEGIN IONS SCANS=711 PEPMASS=244.0493 CHARGE=-1 COLLISION_ENERGY=0.0 51.5391 2800.0 61.9759 4100.0 61.9823 900000.0 62.583 2200.0 62.9797 2700.0 70.992 2100.0 72.1474 2300.0 78.0487 3000.0 82.1255 2400.0 83.5086 2000.0 94.5877 2500.0 99.9171 5400.0 116.9192 3200.0 121.797 2600.0 132.9808 2500.0 135.6879 2500.0 156.0547 2600.0 176.9839 4600.0 180.9758 17000.0 196.9401 2600.0 196.9718 3400.0 204.9742 12000.0 216.9742 3700.0 224.9816 5400.0 244.9875 5100.0 252.1993 2700.0 END IONS BEGIN IONS SCANS=712 PEPMASS=266.0687 CHARGE=-1 COLLISION_ENERGY=0.0 59.0081 26000.0 71.007 28000.0 73.0227 11000.0 73.6471 2600.0 80.2365 2400.0 82.7643 2800.0 83.9881 3300.0 83.9911 6000.0 84.0014 1200000.0 84.0096 5600.0 84.0117 6100.0 85.0046 21000.0 85.0217 7200.0 89.0163 21000.0 95.0049 2700.0 96.8964 6500.0 99.9162 2900.0 101.0155 43000.0 101.9151 2900.0 109.549 2400.0 113.0146 7300.0 114.6602 2300.0 116.9857 4100.0 119.0251 2900.0 134.3179 2500.0 153.5455 2400.0 161.6183 2800.0 162.9882 3000.0 163.0489 12000.0 178.9787 3300.0 181.0407 3000.0 181.0446 3300.0 181.0576 320000.0 182.0614 12000.0 182.9731 4500.0 198.9845 4900.0 201.9249 4200.0 206.9724 6700.0 226.9775 5800.0 237.8537 3800.0 238.8517 4300.0 246.9831 4700.0 266.966 5800.0 END IONS BEGIN IONS SCANS=713 PEPMASS=280.9763 CHARGE=-1 COLLISION_ENERGY=0.0 51.5437 3300.0 75.6889 2500.0 84.9308 8000.0 85.638 2900.0 87.0008 2400.0 96.8931 4900.0 98.9464 4500.0 99.8156 2400.0 99.917 65000.0 100.9186 4600.0 100.9247 230000.0 101.925 16000.0 112.9761 5900.0 114.9394 6900.0 115.9108 280000.0 116.9108 19000.0 116.9186 75000.0 117.9186 9000.0 124.9233 2800.0 126.9385 26000.0 128.9175 3600.0 128.9855 3500.0 130.933 12000.0 132.9786 3400.0 140.954 3200.0 141.9249 12000.0 142.9325 30000.0 152.8825 3200.0 152.9138 3000.0 152.9848 4800.0 154.932 21000.0 155.5478 2400.0 156.998 3200.0 164.9834 3200.0 167.9387 9900.0 168.9463 9600.0 170.9256 7800.0 176.9657 2400.0 176.9828 5600.0 182.9246 3400.0 184.9402 32000.0 185.9412 3700.0 196.9395 74000.0 196.9882 9600.0 197.9407 6700.0 214.9487 20000.0 216.9743 2800.0 216.9939 2800.0 226.9472 17000.0 232.9641 2700.0 240.9708 5700.0 244.9579 83000.0 245.3216 2400.0 245.9591 11000.0 252.9835 11000.0 266.9621 6100.0 280.977 66000.0 281.9785 6000.0 END IONS BEGIN IONS SCANS=714 PEPMASS=371.1096 CHARGE=-1 COLLISION_ENERGY=0.0 55.9031 2600.0 60.0774 2600.0 65.2358 2600.0 71.007 6000.0 90.9701 2600.0 91.7447 2600.0 98.805 2400.0 101.015 3300.0 137.8566 3300.0 147.576 2500.0 158.5701 2400.0 181.0575 2900.0 189.0424 8900.0 191.0584 2900.0 207.0517 12000.0 266.9644 3300.0 273.1753 2800.0 371.0604 4000.0 371.1097 200000.0 372.1119 18000.0 END IONS BEGIN IONS SCANS=715 PEPMASS=217.032 CHARGE=-1 COLLISION_ENERGY=0.0 51.5446 2300.0 59.008 11000.0 65.3086 2200.0 71.007 12000.0 73.0225 3700.0 89.0165 8500.0 90.6233 2100.0 96.8941 3700.0 96.9515 33000.0 101.0155 18000.0 112.9945 12000.0 113.0149 3400.0 115.6962 2600.0 116.9187 21000.0 119.2768 2200.0 128.9854 3800.0 132.9796 4600.0 132.9996 7800.0 134.4021 2500.0 134.9948 2700.0 152.9845 12000.0 156.9777 4800.0 163.0483 6500.0 164.7296 2200.0 176.9832 7200.0 181.0406 2900.0 181.0443 2600.0 181.0576 210000.0 182.0611 10000.0 185.3447 2500.0 196.9885 5700.0 199.8356 38000.0 200.8363 8200.0 216.8376 28000.0 216.9748 11000.0 216.9948 3300.0 217.0319 15000.0 217.8378 8300.0 END IONS BEGIN IONS SCANS=716 PEPMASS=227.0602 CHARGE=-1 COLLISION_ENERGY=0.0 55.0134 4600.0 57.0289 3500.0 59.005 3100.0 59.008 100000.0 59.0109 2100.0 60.0112 2900.0 62.0618 2400.0 64.9966 3100.0 69.0279 2400.0 70.9487 2900.0 71.0071 110000.0 73.0188 3700.0 73.0226 47000.0 83.006 8100.0 83.2603 3200.0 85.0218 20000.0 89.0164 81000.0 92.9873 8200.0 95.0054 5100.0 97.0208 9000.0 98.9997 2800.0 101.0155 160000.0 101.0211 2200.0 102.0191 2700.0 113.0148 29000.0 115.0302 13000.0 119.0251 19000.0 119.1622 2400.0 122.586 2600.0 131.0235 12000.0 142.9807 35000.0 143.0229 7800.0 149.0334 3100.0 155.0007 2600.0 159.6582 2500.0 161.0318 6100.0 162.986 32000.0 163.0479 36000.0 166.9803 6600.0 178.9793 5500.0 181.0241 10000.0 181.032 5400.0 181.0576 1400000.0 181.0905 9600.0 182.061 68000.0 186.9852 12000.0 206.9713 6400.0 206.9902 6600.0 226.9783 6800.0 226.9978 3500.0 END IONS BEGIN IONS SCANS=717 PEPMASS=295.043 CHARGE=-1 COLLISION_ENERGY=0.0 61.0438 2100.0 61.9821 2600.0 68.9892 130000.0 68.9926 2300.0 96.8951 3400.0 112.9759 330000.0 113.9794 2200.0 116.9183 2300.0 133.28 2600.0 166.9806 2600.0 190.9982 4300.0 206.9715 3600.0 210.9843 2700.0 221.2872 2700.0 230.1293 2400.0 230.9702 7300.0 234.9648 3100.0 254.9681 4600.0 END IONS BEGIN IONS SCANS=718 PEPMASS=112.9759 CHARGE=-1 COLLISION_ENERGY=0.0 67.9676 1900.0 68.9892 370000.0 69.9923 3100.0 79.0542 2200.0 84.9832 2600.0 92.9875 8200.0 96.8967 3800.0 98.4004 2100.0 99.1533 1900.0 103.8516 1800.0 112.9759 16000.0 113.9166 5600.0 117.0631 2400.0 END IONS BEGIN IONS SCANS=719 PEPMASS=181.0697 CHARGE=-1 COLLISION_ENERGY=0.0 55.0179 2400.0 58.5485 2300.0 59.0123 71000.0 60.7601 2100.0 71.0123 93000.0 72.9914 2400.0 73.0278 31000.0 79.4125 2100.0 83.0123 5700.0 83.0233 6900.0 85.0278 19000.0 89.0228 63000.0 92.9182 10000.0 96.892 2300.0 97.0278 6200.0 101.0006 2300.0 101.0227 89000.0 109.6694 2300.0 112.9839 7700.0 113.0231 13000.0 115.0383 3700.0 119.033 11000.0 131.033 6800.0 136.9078 5700.0 143.0328 2700.0 150.8289 2500.0 163.0598 10000.0 180.9217 2800.0 180.9863 2500.0 181.0706 150000.0 END IONS BEGIN IONS SCANS=720 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.6768 41000.0 56.6893 39000.0 57.9921 570000.0 65.6877 37000.0 67.0156 41000.0 68.0 45000.0 85.0028 11000000.0 96.8865 44000.0 END IONS BEGIN IONS SCANS=721 PEPMASS=244.0658 CHARGE=-1 COLLISION_ENERGY=0.0 54.8244 2100.0 54.9629 2100.0 57.5951 2200.0 61.9824 2800.0 61.9832 3800.0 61.9871 190000.0 62.0347 2100.0 65.1968 2200.0 91.1398 2400.0 97.3413 2300.0 110.6067 2500.0 118.1915 2100.0 174.601 2200.0 END IONS BEGIN IONS SCANS=722 PEPMASS=217.0478 CHARGE=-1 COLLISION_ENERGY=0.0 96.8879 2600.0 99.6952 2200.0 123.6096 2000.0 129.9031 2100.0 159.2117 2500.0 181.0705 28000.0 217.0479 5300.0 END IONS BEGIN IONS SCANS=723 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 52.1137 31000.0 52.7859 35000.0 57.6704 33000.0 57.992 530000.0 58.9806 33000.0 80.015 35000.0 85.0028 11000000.0 94.4934 34000.0 94.8832 36000.0 96.8894 43000.0 END IONS BEGIN IONS SCANS=724 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 55.4685 25000.0 57.9921 360000.0 62.1322 23000.0 84.529 28000.0 84.8956 28000.0 85.0028 6900000.0 85.7445 29000.0 96.8891 54000.0 END IONS BEGIN IONS SCANS=725 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 51.5358 48000.0 57.992 510000.0 65.437 42000.0 66.8105 37000.0 85.0029 11000000.0 85.0135 66000.0 96.8905 74000.0 98.1757 49000.0 END IONS BEGIN IONS SCANS=726 PEPMASS=105.0208 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 2000.0 51.4874 1700.0 52.0204 1700.0 52.3659 1500.0 52.7456 1400.0 52.8747 1600.0 52.9335 1800.0 54.005 1700.0 55.1488 1600.0 56.0072 1500.0 56.1892 1900.0 56.7954 2000.0 57.3381 1800.0 57.915 1600.0 58.4045 2100.0 58.4378 1500.0 58.8082 1700.0 59.4775 1500.0 60.2315 1500.0 60.322 1600.0 60.3914 1700.0 60.9624 1500.0 61.6937 1800.0 61.7182 1500.0 62.0144 1600.0 62.1835 1800.0 62.4876 1500.0 62.5406 1500.0 63.9809 1700.0 64.4626 1800.0 64.555 1500.0 64.7116 1900.0 67.0026 1700.0 67.2825 1500.0 69.6093 1600.0 70.7831 2000.0 72.4393 1800.0 75.4091 1800.0 75.6217 1500.0 76.2759 1500.0 77.8425 2000.0 78.6926 1600.0 80.4571 2100.0 81.048 1600.0 84.2345 1700.0 84.5381 1800.0 86.6729 1400.0 89.046 1400.0 89.4018 1500.0 89.7535 2000.0 90.5368 1800.0 91.0968 1800.0 92.7132 1600.0 94.4687 1800.0 94.9017 1900.0 95.1374 1600.0 96.5137 2100.0 96.8915 2100.0 97.1621 1400.0 98.1388 1700.0 98.1454 1800.0 102.8869 1500.0 105.2983 1500.0 105.4623 1400.0 110.0597 1500.0 110.465 1700.0 110.971 1400.0 111.7852 1600.0 113.4632 1600.0 114.0543 1600.0 114.0939 1400.0 121.472 1800.0 123.831 1700.0 END IONS BEGIN IONS SCANS=727 PEPMASS=104.032 CHARGE=-1 COLLISION_ENERGY=0.0 53.1339 4400.0 55.6855 5400.0 60.4633 4600.0 78.8123 4900.0 104.024 13000.0 104.3614 5200.0 END IONS BEGIN IONS SCANS=728 PEPMASS=102.0083 CHARGE=-1 COLLISION_ENERGY=0.0 50.1881 1800.0 51.5124 3000.0 59.0124 3500.0 60.4552 3400.0 61.4696 1900.0 71.1023 1900.0 86.5504 2000.0 96.888 3300.0 97.0266 1900.0 99.9245 6600.0 100.9242 3300.0 101.9321 3800.0 102.008 12000.0 116.9191 13000.0 END IONS BEGIN IONS SCANS=729 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 51.5079 7100.0 57.2621 7200.0 62.1569 7500.0 68.2505 6800.0 71.9414 7100.0 96.8871 12000.0 98.7517 6800.0 99.22 7700.0 104.0237 15000.0 107.9638 6600.0 124.6734 6400.0 END IONS BEGIN IONS SCANS=730 PEPMASS=239.0767 CHARGE=-1 COLLISION_ENERGY=0.0 51.2495 2000.0 57.8579 2100.0 61.9865 2000.0 66.8489 2200.0 68.5628 2100.0 69.0804 2100.0 70.8331 2300.0 72.4994 2500.0 81.0141 2200.0 96.8893 4000.0 99.9817 2700.0 104.9933 2000.0 107.6406 2100.0 116.0709 2300.0 157.1995 2100.0 176.0117 2000.0 229.9445 2700.0 243.8969 2700.0 END IONS BEGIN IONS SCANS=731 PEPMASS=239.0751 CHARGE=-1 COLLISION_ENERGY=0.0 51.5354 1900.0 59.1636 2400.0 65.1663 2000.0 76.6576 2000.0 78.1453 2000.0 78.2298 2200.0 82.7887 2200.0 96.8883 4500.0 97.1201 2200.0 103.4177 2100.0 129.5592 2200.0 134.4308 2200.0 168.5361 2100.0 END IONS BEGIN IONS SCANS=732 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 50.8799 35000.0 52.265 39000.0 53.8274 39000.0 54.5916 35000.0 57.992 710000.0 68.0 74000.0 73.7952 38000.0 84.9921 110000.0 84.9939 45000.0 85.0028 12000000.0 85.0135 75000.0 87.8487 41000.0 END IONS BEGIN IONS SCANS=733 PEPMASS=103.0132 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 270000.0 64.5407 2100.0 67.1773 2000.0 76.005 14000.0 87.0727 2800.0 96.8894 4100.0 103.0163 38000.0 104.0825 2600.0 117.9174 3600.0 END IONS BEGIN IONS SCANS=734 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 55.4609 26000.0 56.5205 30000.0 57.9921 410000.0 60.4716 30000.0 62.8626 28000.0 79.7872 29000.0 81.2752 30000.0 85.0028 8100000.0 END IONS BEGIN IONS SCANS=735 PEPMASS=84.9958 CHARGE=-1 COLLISION_ENERGY=0.0 52.7114 44000.0 57.9921 460000.0 71.9582 37000.0 85.0028 9200000.0 96.8893 92000.0 104.2457 39000.0 END IONS BEGIN IONS SCANS=736 PEPMASS=192.9963 CHARGE=-1 COLLISION_ENERGY=0.0 71.3158 2300.0 73.8854 2200.0 84.992 5400.0 85.0028 930000.0 90.9314 4500.0 96.8849 2500.0 96.8909 4100.0 107.4835 2800.0 113.3186 2300.0 114.6994 2100.0 144.8723 2600.0 177.3719 2400.0 183.6074 2100.0 192.9108 3700.0 193.0862 5600.0 END IONS BEGIN IONS 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2200.0 91.0394 2500.0 96.8864 2400.0 96.8919 2200.0 96.9583 7800.0 96.9672 2700.0 97.0274 8700.0 101.0228 140000.0 109.0279 2400.0 113.0231 14000.0 115.0389 5700.0 119.0331 14000.0 121.0479 3300.0 131.0333 11000.0 145.0724 2500.0 149.0444 3300.0 154.7484 2500.0 163.0596 33000.0 180.9215 2600.0 181.0705 190000.0 181.0923 2600.0 191.3061 2300.0 END IONS BEGIN IONS SCANS=740 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.142 36000.0 57.9921 440000.0 64.6196 35000.0 69.7196 36000.0 85.0028 8300000.0 96.8896 43000.0 END IONS BEGIN IONS SCANS=741 PEPMASS=181.0709 CHARGE=-1 COLLISION_ENERGY=0.0 54.391 2100.0 55.0174 7000.0 57.033 7200.0 58.0045 2800.0 59.0124 190000.0 69.033 5000.0 70.0547 2200.0 71.0124 230000.0 71.0175 3600.0 72.992 2300.0 73.0277 45000.0 74.2209 2400.0 83.0122 17000.0 83.0234 3600.0 84.212 2400.0 85.0277 51000.0 87.0066 5800.0 89.0227 150000.0 89.0295 4800.0 95.0117 4500.0 96.8878 3200.0 96.9578 6800.0 97.0276 11000.0 100.584 2400.0 101.0227 240000.0 101.0322 2800.0 103.0386 3100.0 113.0228 26000.0 115.0386 11000.0 116.5332 2500.0 119.0332 32000.0 125.412 2200.0 131.0324 16000.0 135.3058 2200.0 137.0952 2600.0 143.0329 3900.0 149.0441 7500.0 161.0442 3800.0 163.0596 49000.0 167.2471 2300.0 179.055 2900.0 180.9875 3500.0 181.0704 280000.0 END IONS BEGIN IONS SCANS=742 PEPMASS=169.9793 CHARGE=-1 COLLISION_ENERGY=0.0 50.3408 1800.0 60.4675 2500.0 61.9867 20000.0 65.0129 2100.0 66.8795 2100.0 75.2509 2100.0 84.5316 2600.0 85.0027 770000.0 96.273 2300.0 96.8885 3000.0 98.3991 2300.0 108.4034 2200.0 131.7114 2200.0 END IONS BEGIN IONS SCANS=743 PEPMASS=84.9942 CHARGE=-1 COLLISION_ENERGY=0.0 52.7702 33000.0 57.9921 460000.0 59.3186 42000.0 61.4289 37000.0 68.0001 46000.0 75.3442 45000.0 82.5928 41000.0 85.0028 10000000.0 85.2527 42000.0 96.8909 41000.0 END IONS BEGIN IONS SCANS=744 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 59.844 6200.0 60.4114 5800.0 69.3744 6500.0 70.2887 6200.0 86.0094 6600.0 89.5693 6800.0 93.6099 5600.0 96.8897 32000.0 104.0241 10000.0 END IONS BEGIN IONS SCANS=745 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 55.6545 3800.0 56.3271 4600.0 58.9879 4900.0 96.8893 7800.0 104.0242 11000.0 113.8452 5600.0 END IONS BEGIN IONS SCANS=746 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 440000.0 68.0001 44000.0 75.1817 27000.0 85.0028 9400000.0 96.8904 45000.0 104.6696 32000.0 END IONS BEGIN IONS SCANS=747 PEPMASS=192.9964 CHARGE=-1 COLLISION_ENERGY=0.0 50.7103 2200.0 61.1069 2300.0 62.2406 2200.0 64.6069 2300.0 71.4601 2100.0 74.7459 2100.0 80.7355 2500.0 85.0028 850000.0 90.9319 2900.0 95.2745 2100.0 96.8918 2300.0 100.9792 2500.0 124.6151 2100.0 165.0399 2200.0 191.6613 3300.0 192.911 5700.0 193.0866 4800.0 198.1467 2400.0 END IONS BEGIN IONS SCANS=748 PEPMASS=225.0595 CHARGE=-1 COLLISION_ENERGY=0.0 57.418 2200.0 59.0123 40000.0 71.0121 25000.0 75.9674 2200.0 83.1183 2100.0 85.0276 3400.0 89.0228 36000.0 101.0225 17000.0 102.6434 2200.0 107.134 2500.0 113.0226 16000.0 119.0331 13000.0 137.2765 2100.0 143.0333 2900.0 204.9871 2300.0 227.8846 2400.0 END IONS BEGIN IONS SCANS=749 PEPMASS=192.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 3700.0 58.7251 2500.0 66.1712 2100.0 85.0027 730000.0 90.9317 3900.0 96.1329 2500.0 96.889 4100.0 159.0041 2200.0 193.0513 2700.0 193.0863 6200.0 200.3692 2400.0 END IONS BEGIN IONS SCANS=750 PEPMASS=179.0537 CHARGE=-1 COLLISION_ENERGY=0.0 54.9313 2000.0 57.0331 2700.0 58.0047 4500.0 59.0125 300000.0 61.5682 2200.0 63.5254 2100.0 64.7503 2100.0 71.0123 180000.0 71.0174 4100.0 72.9917 7100.0 83.0126 3400.0 83.6294 2300.0 85.0277 22000.0 87.0071 3700.0 88.3489 2100.0 89.0227 86000.0 95.012 11000.0 96.8915 6300.0 101.0227 36000.0 113.0226 30000.0 118.0563 2100.0 119.0336 15000.0 136.0142 8400.0 144.9127 2100.0 166.9261 2400.0 179.0195 45000.0 END IONS BEGIN IONS SCANS=751 PEPMASS=143.0335 CHARGE=-1 COLLISION_ENERGY=0.0 51.5141 2300.0 54.981 2000.0 59.0127 2200.0 65.5508 2200.0 66.0243 1900.0 69.0331 3000.0 69.9547 2000.0 71.0125 8800.0 77.2161 1900.0 85.0281 14000.0 87.0073 7200.0 89.0128 3000.0 96.8887 2700.0 97.0281 4700.0 97.7486 1900.0 99.0442 2700.0 116.0243 6900.0 125.0235 2600.0 139.1839 2000.0 143.0236 8800.0 143.0351 22000.0 END IONS BEGIN IONS SCANS=752 PEPMASS=179.055 CHARGE=-1 COLLISION_ENERGY=0.0 51.0252 2300.0 55.0176 3700.0 57.0332 2600.0 58.0047 9900.0 59.0126 530000.0 70.2232 2300.0 71.0123 360000.0 72.9915 11000.0 73.0283 2900.0 83.0122 4900.0 85.0277 40000.0 87.007 5000.0 89.0227 170000.0 94.9791 7400.0 95.0118 22000.0 96.89 3000.0 101.0227 71000.0 102.9864 2600.0 113.0226 55000.0 119.0335 28000.0 136.0129 3600.0 179.0192 21000.0 197.7048 2700.0 END IONS BEGIN IONS SCANS=753 PEPMASS=101.0223 CHARGE=-1 COLLISION_ENERGY=0.0 51.5321 2100.0 55.0177 5300.0 76.817 1900.0 87.6552 1900.0 96.8872 2400.0 99.9241 27000.0 100.6949 2300.0 100.9318 31000.0 101.0229 3000.0 115.9192 130000.0 END IONS BEGIN IONS SCANS=754 PEPMASS=113.0223 CHARGE=-1 COLLISION_ENERGY=0.0 55.0176 2800.0 57.0333 7900.0 58.0285 1800.0 68.9943 110000.0 70.2147 2100.0 83.0123 2400.0 84.02 3600.0 85.0278 29000.0 96.8917 2400.0 112.9842 4700.0 112.9978 16000.0 113.0239 3400.0 END IONS BEGIN IONS SCANS=755 PEPMASS=225.0607 CHARGE=-1 COLLISION_ENERGY=0.0 50.1958 2100.0 53.6495 2100.0 54.3837 2000.0 57.0422 2300.0 58.1023 2000.0 59.0124 62000.0 61.614 2400.0 71.0123 46000.0 85.0282 4000.0 89.0228 56000.0 95.0122 2400.0 96.8895 2500.0 101.0227 28000.0 103.4087 2200.0 113.0228 21000.0 118.919 2100.0 119.0334 20000.0 140.147 2200.0 148.9027 2300.0 179.056 4300.0 200.1329 2200.0 221.9694 2200.0 END IONS BEGIN IONS SCANS=756 PEPMASS=161.0432 CHARGE=-1 COLLISION_ENERGY=0.0 57.0335 7300.0 59.0123 19000.0 61.7256 2100.0 66.6314 2200.0 71.0122 110000.0 72.9917 3300.0 73.0278 9800.0 85.0278 70000.0 95.012 33000.0 96.8874 3600.0 101.0231 4900.0 106.0033 2300.0 113.0226 50000.0 118.0032 2900.0 120.5678 2100.0 126.1045 2200.0 152.3296 2200.0 161.0098 2700.0 END IONS BEGIN IONS SCANS=757 PEPMASS=89.0223 CHARGE=-1 COLLISION_ENERGY=0.0 50.2667 1900.0 54.2812 2100.0 55.2528 2100.0 56.0723 1800.0 59.0123 29000.0 62.0023 6500.0 71.0122 8400.0 72.9914 3300.0 87.075 2100.0 89.0129 74000.0 89.0219 11000.0 96.8877 2500.0 END IONS BEGIN IONS SCANS=758 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 310000.0 60.622 2200.0 61.305 1900.0 67.3487 2300.0 68.6672 2100.0 69.3396 1700.0 72.8969 1900.0 76.005 16000.0 88.0049 2400.0 96.8879 2400.0 103.016 40000.0 103.0278 3600.0 117.9179 5100.0 END IONS BEGIN IONS SCANS=759 PEPMASS=215.0315 CHARGE=-1 COLLISION_ENERGY=0.0 50.7227 2000.0 54.4195 2100.0 59.5794 2200.0 73.8439 2200.0 79.7561 2200.0 91.4524 2100.0 96.8906 4000.0 97.9774 2100.0 131.3695 2200.0 142.0748 2100.0 215.0105 4100.0 END IONS BEGIN IONS SCANS=760 PEPMASS=112.9838 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 3800.0 62.116 1900.0 66.2529 2400.0 68.9942 80000.0 68.9996 1800.0 81.1476 2100.0 84.0201 2600.0 85.0279 16000.0 88.0744 1900.0 88.4434 1800.0 96.8857 2500.0 112.9847 2800.0 112.998 8800.0 113.0233 2600.0 END IONS BEGIN IONS SCANS=761 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 67.6055 6300.0 73.964 6500.0 74.0876 6400.0 84.6696 5900.0 86.6596 6100.0 96.887 19000.0 96.8927 9200.0 104.024 21000.0 108.3143 6200.0 END IONS BEGIN IONS SCANS=762 PEPMASS=187.0038 CHARGE=-1 COLLISION_ENERGY=0.0 79.9556 13000.0 85.6452 2600.0 93.7273 2400.0 96.8896 3700.0 99.5067 2600.0 105.0331 2100.0 113.3152 2400.0 123.0435 38000.0 164.3238 2500.0 170.0024 4600.0 185.2726 2300.0 187.0062 610000.0 END IONS BEGIN IONS SCANS=763 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 53.0194 37000.0 57.992 530000.0 69.2138 34000.0 77.5778 38000.0 85.0027 12000000.0 86.6033 37000.0 96.8905 44000.0 END IONS BEGIN IONS SCANS=764 PEPMASS=187.0046 CHARGE=-1 COLLISION_ENERGY=0.0 59.0465 2100.0 79.9557 20000.0 105.0331 2500.0 118.1209 2200.0 118.9371 2300.0 123.0432 52000.0 163.6489 2300.0 168.9948 3900.0 170.004 3700.0 187.006 760000.0 188.9823 2500.0 204.9122 2800.0 END IONS BEGIN IONS SCANS=765 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 55.1688 42000.0 57.9921 820000.0 64.0992 42000.0 64.9817 41000.0 67.9999 60000.0 84.9922 88000.0 85.0028 14000000.0 93.6835 45000.0 96.8876 83000.0 96.8929 47000.0 END IONS BEGIN IONS SCANS=766 PEPMASS=194.8909 CHARGE=-1 COLLISION_ENERGY=0.0 65.934 2700.0 71.7091 2600.0 80.9577 20000.0 84.6684 2500.0 91.9232 3100.0 92.9206 19000.0 96.8963 4700.0 96.9515 170000.0 96.9579 6100.0 99.9171 5600.0 104.9196 6600.0 113.0149 2600.0 114.9241 10000.0 116.9185 57000.0 117.919 4000.0 128.9851 5200.0 130.9816 74000.0 132.8579 2600.0 148.848 3600.0 148.9068 4900.0 150.9032 3000.0 154.9807 12000.0 159.8794 23000.0 166.9794 5400.0 174.9866 12000.0 176.8495 7900.0 176.8813 1000000.0 177.8793 86000.0 178.8889 3500.0 194.854 8400.0 194.8908 1400000.0 194.9194 6300.0 194.9281 9200.0 194.9931 4900.0 195.0148 2800.0 195.8907 150000.0 END IONS BEGIN IONS SCANS=767 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 50.126 2100.0 53.9377 2200.0 57.0334 15000.0 69.9759 2100.0 71.0127 2800.0 77.4315 2300.0 85.0278 56000.0 87.0072 83000.0 101.0228 7000.0 102.9471 15000.0 110.9961 3300.0 110.9979 3300.0 111.0072 240000.0 129.0173 23000.0 129.0543 4200.0 141.6118 2800.0 146.9377 6900.0 154.9978 3300.0 170.9878 2600.0 173.0086 4200.0 191.0184 32000.0 191.0362 3800.0 191.0551 5600.0 END IONS BEGIN IONS SCANS=768 PEPMASS=104.0275 CHARGE=-1 COLLISION_ENERGY=0.0 51.5409 6300.0 60.0157 6700.0 70.3735 4200.0 80.4062 4600.0 81.0038 4300.0 86.6881 4800.0 89.5332 4400.0 92.0014 5000.0 96.8877 7500.0 102.2253 4500.0 102.3802 5100.0 104.0235 11000.0 105.0249 4600.0 111.3436 4800.0 END IONS BEGIN IONS SCANS=769 PEPMASS=84.9973 CHARGE=-1 COLLISION_ENERGY=0.0 55.7536 38000.0 57.992 530000.0 67.374 33000.0 67.9998 35000.0 69.8535 41000.0 71.4081 35000.0 85.0027 12000000.0 85.0134 64000.0 END IONS BEGIN IONS SCANS=770 PEPMASS=84.9956 CHARGE=-1 COLLISION_ENERGY=0.0 57.4783 28000.0 57.992 580000.0 69.834 37000.0 70.2956 31000.0 84.9922 64000.0 85.0028 11000000.0 85.0135 76000.0 96.891 32000.0 98.9204 30000.0 99.688 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96.8877 5700.0 99.6686 5200.0 100.304 4900.0 103.6244 4000.0 104.0242 9800.0 107.049 4200.0 107.162 4700.0 107.277 4100.0 108.3626 3800.0 109.0042 4300.0 112.6964 4900.0 114.9846 5600.0 115.4053 4100.0 117.2699 3900.0 117.4736 4600.0 118.2526 3800.0 118.6019 4500.0 120.8422 4800.0 121.2344 4000.0 122.5102 4000.0 122.6354 4700.0 124.5187 4100.0 END IONS BEGIN IONS SCANS=773 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 54.646 34000.0 57.0105 31000.0 57.9921 620000.0 60.4853 35000.0 67.9998 39000.0 81.715 32000.0 85.0028 12000000.0 96.8896 60000.0 END IONS BEGIN IONS SCANS=774 PEPMASS=104.0323 CHARGE=-1 COLLISION_ENERGY=0.0 51.8263 3600.0 60.0159 4700.0 83.1574 4200.0 91.7297 4800.0 96.8885 4700.0 104.0236 8500.0 END IONS BEGIN IONS SCANS=775 PEPMASS=104.0277 CHARGE=-1 COLLISION_ENERGY=0.0 52.091 4400.0 53.4855 4200.0 56.1671 5100.0 58.0552 3900.0 59.325 4100.0 60.0161 4700.0 60.155 5300.0 69.3676 3900.0 95.1597 5200.0 96.8903 6600.0 104.0241 14000.0 END IONS BEGIN IONS SCANS=776 PEPMASS=302.9691 CHARGE=-1 COLLISION_ENERGY=0.0 62.9825 4800.0 64.1921 2300.0 84.7687 2700.0 132.9798 23000.0 142.9812 2700.0 148.9923 2800.0 152.9843 9100.0 153.7399 2400.0 154.9668 5700.0 154.98 190000.0 154.9931 5700.0 155.9832 8200.0 170.974 25000.0 174.9693 3100.0 174.985 130000.0 175.9883 4400.0 178.9787 6000.0 194.9732 5300.0 194.9901 39000.0 198.9672 43000.0 198.9839 8500.0 218.9716 25000.0 218.9896 3500.0 238.9778 10000.0 242.9704 3200.0 258.9824 4700.0 282.9619 4600.0 302.967 20000.0 END IONS BEGIN IONS SCANS=777 PEPMASS=192.9955 CHARGE=-1 COLLISION_ENERGY=0.0 71.0569 2200.0 83.3976 2000.0 85.0028 310000.0 108.199 2200.0 128.9935 2100.0 142.6692 2100.0 181.8015 2300.0 193.0852 5700.0 END IONS BEGIN IONS SCANS=778 PEPMASS=103.0131 CHARGE=-1 COLLISION_ENERGY=0.0 53.1293 2000.0 53.9326 2800.0 55.7069 1800.0 58.2133 2200.0 59.0125 190000.0 61.027 2100.0 61.5323 1700.0 69.7237 2200.0 76.0051 15000.0 84.6859 2200.0 103.0163 34000.0 107.9796 2400.0 END IONS BEGIN IONS SCANS=779 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25000.0 96.9717 4700.0 97.9507 13000.0 99.9168 3600.0 104.9197 7200.0 114.9242 82000.0 115.9107 8900.0 116.9184 24000.0 130.9817 94000.0 148.9073 4000.0 150.9048 2900.0 154.9807 10000.0 159.8799 7200.0 174.9718 3500.0 174.987 8200.0 176.2778 2800.0 176.8813 480000.0 176.9014 3700.0 176.9052 5800.0 177.8817 34000.0 182.4614 3200.0 194.8908 640000.0 194.9108 38000.0 194.9745 3400.0 194.9923 5300.0 195.8904 55000.0 END IONS BEGIN IONS SCANS=783 PEPMASS=259.8204 CHARGE=-1 COLLISION_ENERGY=0.0 53.9002 2700.0 64.9691 2300.0 86.7474 2500.0 99.9169 34000.0 115.9104 7600.0 116.6727 2600.0 120.2641 2600.0 146.9727 2700.0 168.9784 3500.0 177.875 5600.0 177.8889 12000.0 179.8356 14000.0 179.8423 11000.0 179.8684 2000000.0 179.8946 13000.0 179.9011 15000.0 179.9196 3600.0 180.8447 4800.0 180.8684 160000.0 221.8257 22000.0 223.8223 9300.0 259.8203 250000.0 260.8205 24000.0 260.8505 4700.0 END IONS BEGIN IONS SCANS=784 PEPMASS=191.0169 CHARGE=-1 COLLISION_ENERGY=0.0 51.5226 2100.0 57.0334 9900.0 59.3861 2000.0 60.1756 2300.0 67.0174 3700.0 75.82 2300.0 85.0279 66000.0 87.0073 92000.0 96.887 2800.0 101.023 6500.0 102.9474 14000.0 111.0072 270000.0 111.6284 2700.0 129.0174 23000.0 165.9495 2500.0 173.0082 2300.0 179.9079 2600.0 182.5128 2500.0 191.0186 31000.0 191.055 3300.0 END IONS BEGIN IONS SCANS=785 PEPMASS=80.9153 CHARGE=-1 COLLISION_ENERGY=0.0 55.9002 2200.0 72.1537 2200.0 80.9055 29000.0 80.9075 25000.0 80.9154 3900000.0 80.9232 17000.0 80.9254 28000.0 80.9282 10000.0 END IONS BEGIN IONS SCANS=786 PEPMASS=260.9775 CHARGE=-1 COLLISION_ENERGY=0.0 55.5124 2800.0 66.6032 2100.0 78.9173 36000.0 80.9152 410000.0 96.8884 9800.0 115.6713 2100.0 121.8915 2100.0 199.4733 3000.0 216.7775 3300.0 END IONS BEGIN IONS SCANS=787 PEPMASS=258.9798 CHARGE=-1 COLLISION_ENERGY=0.0 50.0706 2000.0 55.0029 2200.0 70.3159 2200.0 73.9325 2600.0 78.9174 440000.0 80.8206 2200.0 80.9152 4400.0 96.8902 2800.0 118.1353 2500.0 128.0327 4700.0 130.0853 5300.0 141.6819 2500.0 END IONS BEGIN IONS 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65.8279 2200.0 66.9924 5900.0 71.0073 2700.0 86.615 2300.0 94.9856 2200.0 96.896 3100.0 99.917 29000.0 111.2996 2100.0 114.7817 2300.0 128.1462 2100.0 134.8549 51000.0 134.8835 920000.0 135.8728 2400.0 135.8834 96000.0 135.9592 4700.0 END IONS BEGIN IONS SCANS=791 PEPMASS=179.8685 CHARGE=-1 COLLISION_ENERGY=0.0 50.6544 2000.0 51.5486 2200.0 51.5781 2000.0 54.5542 2300.0 71.0069 2600.0 80.9578 3900.0 93.0262 2600.0 96.9514 3900.0 99.917 190000.0 99.9224 2300.0 100.9169 19000.0 108.9807 4100.0 115.9108 57000.0 116.9109 5200.0 132.9791 3200.0 156.8774 2200.0 160.9735 2600.0 161.877 5100.0 179.8291 2000.0 179.8353 6000.0 179.8438 5100.0 179.8686 920000.0 179.884 34000.0 179.9105 3300.0 180.8287 13000.0 180.8439 4100.0 180.8686 93000.0 180.8823 2100.0 180.9758 10000.0 180.9993 3800.0 END IONS BEGIN IONS SCANS=792 PEPMASS=84.9966 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 570000.0 68.0002 66000.0 71.7847 33000.0 72.8196 29000.0 85.0028 11000000.0 85.0134 61000.0 87.6253 36000.0 96.8905 55000.0 98.1429 31000.0 END IONS BEGIN IONS SCANS=793 PEPMASS=170.9777 CHARGE=-1 COLLISION_ENERGY=0.0 57.2114 2200.0 57.827 2300.0 62.3658 2000.0 62.9799 2700.0 62.9827 29000.0 62.9991 27000.0 63.0604 2100.0 63.1724 2200.0 69.2553 2200.0 70.6099 2100.0 71.0068 2100.0 71.9927 3100.0 75.9775 2000.0 78.9927 4500.0 79.6908 1900.0 80.9822 2200.0 86.9807 2600.0 86.9972 4500.0 87.6818 2100.0 92.9874 10000.0 97.9227 2300.0 99.9168 16000.0 102.9911 3600.0 104.9867 18000.0 106.9857 35000.0 107.9889 2400.0 112.8593 2100.0 114.9241 3400.0 115.9105 7200.0 123.1398 2200.0 126.8715 3200.0 126.9906 59000.0 127.0657 7700.0 130.8577 9000.0 130.984 6600.0 134.8539 15000.0 136.8516 12000.0 142.9805 12000.0 150.9888 6400.0 170.8197 32000.0 170.8781 2500.0 170.9774 57000.0 170.9942 7200.0 171.8189 5500.0 171.8749 4800.0 171.897 5000.0 171.9331 5900.0 END IONS BEGIN IONS SCANS=794 PEPMASS=194.8909 CHARGE=-1 COLLISION_ENERGY=0.0 79.9499 8500.0 80.9579 7100.0 81.7479 2900.0 92.9207 20000.0 95.7373 2800.0 96.8969 5200.0 96.9383 23000.0 96.9515 3500000.0 96.9618 25000.0 96.9643 27000.0 96.9684 9500.0 96.9718 5000.0 97.9504 18000.0 97.9559 2900.0 99.9171 4000.0 104.9196 6900.0 114.9242 83000.0 115.9109 7300.0 116.9186 22000.0 130.9815 87000.0 148.9063 4200.0 154.9805 8100.0 159.8798 9900.0 174.9864 10000.0 176.8813 540000.0 176.9052 4700.0 177.8817 40000.0 194.8908 690000.0 194.9107 33000.0 194.9749 3200.0 194.9923 7000.0 195.0133 3500.0 195.8907 69000.0 END IONS BEGIN IONS SCANS=795 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 50.2329 2100.0 55.8985 2600.0 59.0125 190000.0 72.5894 1900.0 76.0049 13000.0 79.8592 1700.0 88.0052 2400.0 90.5222 2000.0 101.9229 2600.0 102.9308 3100.0 103.0164 31000.0 117.9171 12000.0 END IONS BEGIN IONS SCANS=796 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 53.719 29000.0 57.992 510000.0 64.6191 28000.0 67.9998 29000.0 75.7626 32000.0 76.3563 33000.0 85.0028 9100000.0 85.0135 57000.0 96.8885 52000.0 100.3378 30000.0 101.4021 33000.0 END IONS BEGIN IONS SCANS=797 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.2523 36000.0 54.519 34000.0 57.9921 610000.0 68.0002 63000.0 85.0028 12000000.0 89.608 31000.0 96.8902 50000.0 END IONS BEGIN IONS SCANS=798 PEPMASS=134.892 CHARGE=-1 COLLISION_ENERGY=0.0 50.5024 2200.0 50.7981 2200.0 55.636 2000.0 62.5443 2200.0 65.0127 2800.0 75.184 2200.0 79.7228 2300.0 96.8892 4000.0 99.9237 7000.0 102.0089 2000.0 108.3447 2400.0 109.125 2000.0 134.864 43000.0 134.893 270000.0 141.6009 2100.0 END IONS BEGIN IONS SCANS=799 PEPMASS=96.958 CHARGE=-1 COLLISION_ENERGY=0.0 50.4623 2400.0 51.4252 2000.0 74.8198 2700.0 78.9572 10000.0 79.9558 39000.0 87.4509 2100.0 90.7864 2300.0 92.1956 2400.0 96.8863 2800.0 96.8922 2000.0 96.9586 830000.0 97.5552 2400.0 END IONS BEGIN IONS SCANS=800 PEPMASS=116.9264 CHARGE=-1 COLLISION_ENERGY=0.0 51.6535 2000.0 58.8051 2100.0 63.1093 2000.0 65.0131 3500.0 73.0281 8200.0 90.0081 19000.0 90.0164 9100.0 96.888 2700.0 99.9241 100000.0 108.4612 2100.0 113.3944 2300.0 114.8278 2100.0 116.9181 6200.0 116.927 570000.0 117.0191 23000.0 117.0272 11000.0 END IONS BEGIN IONS SCANS=801 PEPMASS=115.9186 CHARGE=-1 COLLISION_ENERGY=0.0 51.5162 2400.0 65.013 21000.0 65.3459 2100.0 89.0129 270000.0 96.8896 3200.0 99.9243 10000.0 109.8226 2100.0 115.9188 32000.0 116.0238 270000.0 116.9269 4100.0 134.5698 2100.0 END IONS BEGIN IONS SCANS=802 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 52.4174 33000.0 57.992 450000.0 74.0517 41000.0 85.0027 9300000.0 96.8881 60000.0 END IONS BEGIN IONS SCANS=803 PEPMASS=144.9214 CHARGE=-1 COLLISION_ENERGY=0.0 57.4745 1900.0 63.8022 1900.0 68.3577 2100.0 74.6137 2700.0 94.8857 2200.0 96.8906 3500.0 100.9321 24000.0 115.919 110000.0 END IONS BEGIN IONS SCANS=804 PEPMASS=100.9319 CHARGE=-1 COLLISION_ENERGY=0.0 58.8525 2200.0 59.1235 2300.0 62.5772 2000.0 79.5656 2100.0 86.434 2300.0 96.8895 3900.0 99.924 180000.0 100.9247 8600.0 100.9318 240000.0 100.9973 2300.0 101.9235 2400.0 115.5059 2500.0 115.919 940000.0 115.9361 5300.0 116.927 12000.0 END IONS BEGIN IONS SCANS=805 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 17000.0 59.0123 2800.0 60.4657 2800.0 63.0169 2100.0 63.8193 2200.0 67.0175 2400.0 71.0121 2900.0 85.0279 66000.0 87.0072 110000.0 96.8887 3200.0 99.0068 3300.0 101.0232 2900.0 102.9473 18000.0 111.0073 300000.0 129.0176 21000.0 130.9968 2600.0 146.9369 3200.0 147.0283 4300.0 159.9032 2200.0 173.0077 5500.0 191.0194 31000.0 191.0363 5100.0 191.0552 4000.0 192.0263 2200.0 END IONS BEGIN IONS SCANS=806 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.2985 5200.0 56.7561 4100.0 57.4656 4100.0 76.3234 5400.0 78.6888 4400.0 94.7852 4200.0 104.0244 12000.0 END IONS BEGIN IONS SCANS=807 PEPMASS=251.0748 CHARGE=-1 COLLISION_ENERGY=0.0 54.9887 2300.0 59.0125 33000.0 69.1075 2300.0 71.0123 28000.0 73.0278 2500.0 85.0278 5200.0 89.0229 130000.0 96.8906 4800.0 97.5635 2400.0 99.9869 2000.0 101.023 19000.0 104.1579 2300.0 107.7363 2500.0 113.0228 11000.0 117.4809 2800.0 119.0333 11000.0 131.0332 3800.0 143.0341 3400.0 251.0397 2500.0 251.0458 4200.0 251.0767 200000.0 END IONS BEGIN IONS SCANS=808 PEPMASS=133.0121 CHARGE=-1 COLLISION_ENERGY=0.0 55.4549 2300.0 56.2226 2100.0 56.6949 2200.0 59.0124 2800.0 61.8001 2200.0 63.6845 2000.0 71.0124 210000.0 72.604 3400.0 72.6075 3300.0 72.9913 39000.0 80.1873 2200.0 82.6242 2700.0 87.0074 3700.0 89.0227 24000.0 91.8891 2200.0 96.8859 9200.0 96.8926 6000.0 99.8397 2500.0 115.0021 370000.0 132.8662 26000.0 132.899 2600.0 133.0129 76000.0 133.037 2200.0 END IONS BEGIN IONS SCANS=809 PEPMASS=116.9185 CHARGE=-1 COLLISION_ENERGY=0.0 73.0229 12000.0 96.8946 3000.0 99.917 370000.0 100.917 32000.0 101.7415 2300.0 116.9011 12000.0 116.9047 7600.0 116.9186 1900000.0 116.9319 12000.0 116.9358 14000.0 116.9857 3700.0 117.0189 3200.0 117.9185 180000.0 118.0198 5700.0 118.0309 2600.0 134.4146 2300.0 END IONS BEGIN IONS SCANS=810 PEPMASS=213.8636 CHARGE=-1 COLLISION_ENERGY=0.0 68.5451 2400.0 73.8351 2000.0 96.896 3000.0 99.9169 3700.0 116.9185 3100.0 159.8796 63000.0 160.8797 6900.0 166.9795 3500.0 175.8945 18000.0 177.8891 980000.0 177.9206 5300.0 178.889 96000.0 178.905 2700.0 194.9716 4400.0 197.8413 9000.0 213.8638 7300.0 214.8432 7600.0 214.9974 4300.0 END IONS BEGIN IONS SCANS=811 PEPMASS=192.9969 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 2700.0 60.9942 2600.0 84.9891 3500.0 85.0028 1100000.0 85.0116 3400.0 85.0135 9100.0 90.932 2500.0 96.8887 3600.0 132.518 2000.0 185.5491 2300.0 192.9125 2400.0 193.0861 7600.0 END IONS BEGIN IONS SCANS=812 PEPMASS=492.1815 CHARGE=-1 COLLISION_ENERGY=0.0 60.1052 2600.0 70.0357 2900.0 84.0438 3400.0 84.9211 2700.0 88.0388 3200.0 89.0231 15000.0 96.891 3500.0 102.0546 20000.0 102.0698 2900.0 112.8498 2700.0 116.0703 5000.0 124.0392 6300.0 128.0335 78000.0 129.1018 10000.0 138.761 2700.0 138.7719 2700.0 141.0651 4500.0 142.0499 17000.0 146.0442 26000.0 159.076 2700.0 160.0602 77000.0 199.0717 18000.0 245.1147 14000.0 289.0574 4000.0 289.0657 4900.0 289.1043 270000.0 290.559 2600.0 316.3584 2800.0 347.2726 3400.0 446.0067 3200.0 492.1843 51000.0 END IONS BEGIN IONS SCANS=813 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 51.5116 31000.0 57.9921 470000.0 65.9467 29000.0 66.5159 27000.0 68.0003 40000.0 71.9472 31000.0 85.0028 9700000.0 85.0132 56000.0 95.1754 30000.0 96.8894 42000.0 100.2445 27000.0 END IONS BEGIN IONS SCANS=814 PEPMASS=217.0289 CHARGE=-1 COLLISION_ENERGY=0.0 56.7137 2200.0 65.0731 2400.0 67.7834 2000.0 68.6564 2400.0 71.3791 2400.0 89.023 2600.0 96.8865 2600.0 96.8917 2300.0 96.9583 6600.0 127.6398 2200.0 143.1192 2600.0 174.9925 2600.0 187.1086 5600.0 201.2108 2100.0 210.2644 2100.0 END IONS BEGIN IONS SCANS=815 PEPMASS=215.0321 CHARGE=-1 COLLISION_ENERGY=0.0 51.5343 2100.0 54.6052 2200.0 57.5654 2100.0 59.0124 12000.0 60.9371 2600.0 61.6497 2000.0 62.7903 2200.0 65.4111 2200.0 71.0126 8800.0 78.4292 2400.0 89.023 8900.0 96.8864 4100.0 96.8923 4700.0 101.0232 3800.0 119.0335 2500.0 159.1334 2100.0 215.0112 4300.0 215.0324 7900.0 END IONS BEGIN IONS SCANS=816 PEPMASS=85.0119 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35000.0 119.0333 16000.0 179.056 6900.0 192.6533 2500.0 END IONS BEGIN IONS SCANS=825 PEPMASS=104.0296 CHARGE=-1 COLLISION_ENERGY=0.0 57.9623 3900.0 58.9087 4000.0 70.6676 4700.0 76.2304 4000.0 76.7125 4800.0 80.7265 4400.0 87.1068 4100.0 96.8875 7700.0 104.0236 14000.0 105.1999 4600.0 END IONS BEGIN IONS SCANS=826 PEPMASS=84.9998 CHARGE=-1 COLLISION_ENERGY=0.0 51.803 28000.0 53.7055 29000.0 55.1936 27000.0 57.2028 26000.0 57.992 540000.0 60.4521 34000.0 68.0005 36000.0 85.0028 10000000.0 88.8821 30000.0 96.8886 38000.0 END IONS BEGIN IONS SCANS=827 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 56.4743 5000.0 57.992 12000.0 76.7275 5100.0 84.9921 22000.0 84.9946 9900.0 85.0029 3100000.0 85.0135 20000.0 85.0196 7100.0 89.141 4400.0 96.8905 11000.0 102.8761 4800.0 130.8872 4900.0 197.6515 4600.0 END IONS BEGIN IONS SCANS=828 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 330000.0 66.2318 19000.0 74.5405 24000.0 85.0028 6200000.0 85.0133 40000.0 96.888 30000.0 END IONS BEGIN IONS 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116.5304 3800.0 END IONS BEGIN IONS SCANS=842 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 55.161 29000.0 56.3519 30000.0 57.9921 420000.0 61.3404 33000.0 61.4226 29000.0 66.2569 37000.0 68.0001 45000.0 73.1942 42000.0 85.0028 9200000.0 87.737 35000.0 96.8875 95000.0 96.8932 72000.0 103.0257 28000.0 END IONS BEGIN IONS SCANS=843 PEPMASS=359.1188 CHARGE=-1 COLLISION_ENERGY=0.0 51.3142 2400.0 51.5273 2600.0 59.0122 27000.0 60.2297 2600.0 71.0122 23000.0 73.2264 4300.0 78.919 2200.0 85.0278 2900.0 89.0228 28000.0 91.7916 2700.0 96.8906 11000.0 101.0229 15000.0 113.0228 10000.0 119.0336 10000.0 128.9769 2200.0 131.0334 2500.0 151.0597 12000.0 153.6461 2400.0 161.0451 3000.0 171.3092 2400.0 179.0545 13000.0 313.1141 88000.0 END IONS BEGIN IONS SCANS=844 PEPMASS=313.1138 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 76000.0 59.7116 2500.0 71.0123 47000.0 73.028 3000.0 85.0281 9600.0 89.0228 80000.0 95.012 4100.0 96.8877 3500.0 101.0227 37000.0 113.0226 23000.0 119.0328 33000.0 125.8471 2100.0 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147.5824 3300.0 193.0869 5400.0 211.8066 4300.0 END IONS BEGIN IONS SCANS=877 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 440000.0 64.7492 28000.0 66.5825 40000.0 78.7806 29000.0 85.0028 9600000.0 97.2586 38000.0 END IONS BEGIN IONS SCANS=878 PEPMASS=104.027 CHARGE=-1 COLLISION_ENERGY=0.0 53.4445 4600.0 69.7385 5500.0 82.3504 5100.0 96.1805 4500.0 96.8875 7600.0 97.5787 5600.0 100.5713 4700.0 104.0238 17000.0 119.9046 4800.0 120.9198 5100.0 END IONS BEGIN IONS SCANS=879 PEPMASS=108.0184 CHARGE=-1 COLLISION_ENERGY=0.0 51.9905 2000.0 54.5568 2000.0 55.1513 2000.0 63.0316 2000.0 64.0055 2500.0 65.0131 7500.0 65.997 2900.0 68.0004 2400.0 74.1259 2000.0 79.6147 2500.0 85.7957 2000.0 90.008 40000.0 104.9155 2100.0 108.0189 14000.0 117.575 2100.0 END IONS BEGIN IONS SCANS=880 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 430000.0 67.9997 42000.0 68.9734 39000.0 69.6375 35000.0 84.992 60000.0 85.0027 9300000.0 96.8886 43000.0 END IONS BEGIN IONS SCANS=881 PEPMASS=104.0282 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10000.0 122.7696 2100.0 END IONS BEGIN IONS SCANS=885 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 51.544 2400.0 57.9744 2000.0 59.0123 12000.0 85.0026 230000.0 89.5315 2300.0 96.8896 3800.0 103.0136 8500.0 116.7833 2500.0 162.2363 2500.0 218.7963 2200.0 END IONS BEGIN IONS SCANS=886 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 50.6815 31000.0 54.4823 25000.0 57.9921 410000.0 62.1265 30000.0 68.0 38000.0 82.8087 28000.0 83.7108 24000.0 85.0028 7700000.0 96.8895 28000.0 END IONS BEGIN IONS SCANS=887 PEPMASS=133.0122 CHARGE=-1 COLLISION_ENERGY=0.0 60.4688 2300.0 71.0124 54000.0 72.9917 6600.0 89.0232 5400.0 96.7174 2200.0 96.8872 2000.0 115.0021 79000.0 132.8665 49000.0 133.0127 21000.0 141.8969 2200.0 END IONS BEGIN IONS SCANS=888 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 51.922 2800.0 51.9652 3000.0 55.8516 3100.0 57.9921 5800.0 63.9144 3000.0 80.6266 3400.0 84.9922 17000.0 84.9944 13000.0 85.0029 2600000.0 85.0114 16000.0 85.0135 17000.0 85.0166 6100.0 96.8904 3500.0 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164.835 1500000.0 164.8638 4800.0 199.7545 8500.0 199.8045 2200000.0 199.8439 16000.0 206.9399 4500.0 END IONS BEGIN IONS SCANS=896 PEPMASS=201.801 CHARGE=-1 COLLISION_ENERGY=0.0 52.7041 2300.0 72.6909 2200.0 74.4763 2200.0 81.0853 2400.0 81.9592 2300.0 83.3054 2200.0 95.6041 2200.0 96.0441 8600.0 96.8891 2700.0 112.0382 5100.0 140.0338 7800.0 164.8146 3300.0 164.8181 5200.0 164.8347 290000.0 166.0366 4100.0 166.8317 85000.0 179.8964 2600.0 184.8764 4600.0 201.8012 280000.0 219.8452 9600.0 END IONS BEGIN IONS SCANS=897 PEPMASS=153.867 CHARGE=-1 COLLISION_ENERGY=0.0 52.0642 2100.0 72.0787 2800.0 82.5173 2400.0 90.0738 2200.0 96.8889 3800.0 104.1599 2300.0 114.9994 2400.0 118.8985 3100.0 127.0152 4300.0 133.5843 2800.0 153.8416 9300.0 153.8465 4800.0 153.8676 1400000.0 153.8937 9200.0 154.0256 5800.0 154.8663 3400.0 170.9081 2300.0 END IONS BEGIN IONS SCANS=898 PEPMASS=160.0598 CHARGE=-1 COLLISION_ENERGY=0.0 51.5227 2100.0 60.4555 2500.0 62.8729 2500.0 70.4551 2000.0 75.8074 2300.0 77.9877 2400.0 82.0042 2300.0 89.8643 2100.0 96.0442 9600.0 96.8889 4100.0 98.0592 23000.0 110.2027 2600.0 114.0542 3100.0 116.0345 4400.0 116.07 110000.0 125.8723 3200.0 142.0496 100000.0 155.5362 3100.0 158.8438 3800.0 159.8441 38000.0 159.8594 6800.0 160.024 2800.0 160.0603 94000.0 160.8133 13000.0 160.8412 2300000.0 END IONS BEGIN IONS SCANS=899 PEPMASS=321.0832 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 11000.0 57.1687 2800.0 59.0122 29000.0 63.2409 2800.0 65.0718 2800.0 69.033 26000.0 71.0122 27000.0 72.6816 2500.0 72.9911 2400.0 73.0278 90000.0 76.5414 2700.0 81.0328 2800.0 83.0122 8200.0 85.0278 150000.0 87.0072 670000.0 95.0118 25000.0 96.8891 9900.0 97.0277 110000.0 103.0382 60000.0 111.0072 5500.0 113.0226 48000.0 114.0305 3400.0 115.0019 59000.0 115.0382 12000.0 125.0226 3600.0 129.0175 11000.0 139.0025 3700.0 157.0128 56000.0 175.0231 310000.0 217.0344 120000.0 303.0724 73000.0 321.0846 15000.0 END IONS BEGIN IONS SCANS=900 PEPMASS=173.0547 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 5200.0 58.0286 10000.0 58.7435 2200.0 59.0124 11000.0 62.6225 2500.0 62.9916 2200.0 69.0445 2900.0 71.0124 3900.0 72.0077 3900.0 74.0233 3300.0 83.023 3600.0 83.0599 33000.0 83.7432 2900.0 84.0439 59000.0 85.0279 29000.0 85.0755 83000.0 87.0548 7900.0 93.8668 2600.0 96.8879 2900.0 102.0545 69000.0 109.0389 13000.0 111.0072 130000.0 111.0548 310000.0 128.0337 450000.0 128.8772 3600.0 129.0652 180000.0 129.1017 5900.0 131.081 67000.0 136.8612 8900.0 146.0445 140000.0 154.9462 29000.0 155.0447 38000.0 159.9849 3200.0 172.8291 88000.0 172.8413 110000.0 172.9563 2700.0 173.0555 95000.0 173.0914 78000.0 173.8419 4300.0 END IONS BEGIN IONS SCANS=901 PEPMASS=134.8927 CHARGE=-1 COLLISION_ENERGY=0.0 51.8254 2900.0 53.8543 3000.0 59.0121 16000.0 64.8393 2400.0 65.6375 2500.0 71.0123 15000.0 72.9913 23000.0 73.0166 8500.0 75.0008 3100.0 75.0071 180000.0 89.0229 12000.0 96.8881 5400.0 96.8992 2800.0 96.9679 5000.0 99.9244 41000.0 115.0022 6800.0 117.0062 27000.0 134.8647 150000.0 134.8935 2000000.0 135.0173 8800.0 135.0281 54000.0 135.8932 9200.0 END IONS BEGIN IONS SCANS=902 PEPMASS=136.8899 CHARGE=-1 COLLISION_ENERGY=0.0 51.5261 2000.0 54.564 2100.0 56.4048 2000.0 59.7051 2500.0 65.9969 3000.0 68.157 2100.0 74.9894 2800.0 76.943 2400.0 79.9559 3500.0 91.7615 2300.0 96.8882 3700.0 99.9241 10000.0 110.1919 2400.0 136.8618 48000.0 136.8904 550000.0 137.0331 3000.0 END IONS BEGIN IONS SCANS=903 PEPMASS=217.0293 CHARGE=-1 COLLISION_ENERGY=0.0 51.5275 2400.0 59.0128 2100.0 60.9664 2100.0 62.7734 2100.0 66.6658 2400.0 68.1729 2200.0 71.0122 3500.0 73.986 2900.0 85.0279 3700.0 87.0074 2200.0 87.4169 2500.0 89.0228 3200.0 90.177 2000.0 96.887 3600.0 96.8924 2900.0 96.9583 5400.0 97.0281 8600.0 101.0234 2700.0 109.8063 2300.0 111.007 41000.0 112.0067 2000.0 112.1989 2100.0 129.017 2800.0 164.1543 2500.0 173.9482 2400.0 178.9026 3600.0 217.0141 12000.0 END IONS BEGIN IONS SCANS=904 PEPMASS=209.066 CHARGE=-1 COLLISION_ENERGY=0.0 54.8095 2000.0 57.0333 26000.0 59.0122 17000.0 61.305 2500.0 61.3086 2600.0 68.9964 2800.0 71.0122 17000.0 72.9914 13000.0 73.0278 2800.0 74.2042 3100.0 75.0073 2900.0 83.0122 3500.0 84.0204 2600.0 85.0278 140000.0 85.0338 4000.0 85.035 2100.0 87.0071 37000.0 89.0226 9700.0 92.9262 49000.0 96.888 6100.0 97.0272 3500.0 99.007 5200.0 101.023 2600.0 111.007 8900.0 121.0646 2300.0 127.8682 4300.0 129.0176 61000.0 133.0123 4200.0 141.0176 4400.0 147.0278 4400.0 154.1784 2200.0 154.9457 6100.0 159.0285 14000.0 170.188 2300.0 172.9569 10000.0 181.9721 2500.0 184.7377 2400.0 191.0178 14000.0 209.0295 15000.0 209.0659 130000.0 END IONS BEGIN IONS SCANS=905 PEPMASS=134.0154 CHARGE=-1 COLLISION_ENERGY=0.0 51.5148 2900.0 68.843 2100.0 71.0123 26000.0 72.0156 66000.0 72.9917 9900.0 73.9951 7900.0 75.0076 3500.0 80.9634 2500.0 89.0226 2400.0 90.0259 11000.0 92.0238 4700.0 93.2803 2200.0 97.1096 2200.0 97.5189 2100.0 99.9243 3400.0 107.0241 3100.0 114.1457 2000.0 115.0025 2800.0 115.993 3000.0 116.0054 150000.0 116.0159 3900.0 120.8948 2300.0 134.0161 36000.0 134.0346 8700.0 134.0448 2300.0 134.8641 37000.0 134.8932 210000.0 END IONS BEGIN IONS SCANS=906 PEPMASS=179.054 CHARGE=-1 COLLISION_ENERGY=0.0 53.2247 2000.0 59.0125 24000.0 61.6837 2100.0 63.5296 2000.0 64.9796 2300.0 69.9217 2500.0 71.0123 19000.0 72.9916 6700.0 73.0279 3500.0 75.0072 85000.0 75.3502 2200.0 81.0328 5400.0 85.0278 7800.0 87.0072 5100.0 89.0227 13000.0 96.8886 3700.0 99.0073 4700.0 99.0425 2200.0 101.0235 3500.0 124.9712 2300.0 125.0232 3400.0 143.0333 10000.0 158.286 2200.0 158.4345 2200.0 161.0437 28000.0 178.8335 5000.0 178.8571 18000.0 178.9011 3700.0 179.0549 110000.0 END IONS BEGIN IONS SCANS=907 PEPMASS=215.0323 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 12000.0 71.0122 11000.0 73.9014 2500.0 89.0227 15000.0 94.5896 2400.0 94.9234 10000.0 96.8877 7500.0 96.9201 4600.0 96.9582 4500.0 97.4339 2200.0 99.615 2400.0 99.6926 1900.0 113.0225 3100.0 117.0005 2000.0 156.914 2700.0 178.9006 11000.0 179.0554 5700.0 213.4785 2300.0 215.0112 5300.0 215.0326 11000.0 END IONS BEGIN IONS SCANS=908 PEPMASS=208.934 CHARGE=-1 COLLISION_ENERGY=0.0 54.6943 2400.0 55.0173 3400.0 57.0331 27000.0 58.9946 4100.0 59.0124 24000.0 61.915 2100.0 71.0124 14000.0 72.9913 7100.0 73.0276 2900.0 75.007 2600.0 79.965 2300.0 83.012 6200.0 84.0201 3300.0 85.0278 150000.0 87.007 34000.0 89.0226 7000.0 92.9263 60000.0 96.8902 7800.0 98.941 2800.0 99.007 3700.0 101.0222 3200.0 111.0069 11000.0 115.0383 2600.0 120.8332 2200.0 124.0576 2200.0 127.6929 2200.0 129.0174 70000.0 133.0128 5000.0 141.0174 4400.0 147.0282 2300.0 154.9456 8200.0 159.0276 16000.0 164.7848 2200.0 172.9566 14000.0 191.0188 22000.0 208.9338 3300.0 209.0326 20000.0 209.0656 150000.0 221.1115 3000.0 END IONS BEGIN IONS SCANS=909 PEPMASS=96.958 CHARGE=-1 COLLISION_ENERGY=0.0 52.6621 2300.0 74.0626 3200.0 78.9454 3200.0 78.9577 840000.0 79.9559 110000.0 96.8903 3200.0 96.9205 62000.0 96.9459 15000.0 96.9488 18000.0 96.9589 2500000.0 96.9678 55000.0 96.9679 69000.0 96.9795 4400.0 END IONS BEGIN IONS SCANS=910 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 51.0127 27000.0 57.9921 390000.0 85.0028 8100000.0 96.8899 77000.0 END IONS BEGIN IONS SCANS=911 PEPMASS=92.9264 CHARGE=-1 COLLISION_ENERGY=0.0 54.8472 2100.0 55.9253 2000.0 64.0053 13000.0 65.0079 3100.0 65.0131 190000.0 65.0172 4000.0 65.018 2600.0 65.997 88000.0 66.0163 6000.0 73.7568 2300.0 92.9264 330000.0 92.9953 3600.0 93.0078 400000.0 93.0186 7900.0 93.027 2900.0 96.8886 2900.0 103.7987 2400.0 END IONS BEGIN IONS SCANS=912 PEPMASS=94.9233 CHARGE=-1 COLLISION_ENERGY=0.0 53.436 2400.0 65.9967 8900.0 66.7279 2300.0 68.0125 7600.0 73.2038 2900.0 74.9674 2300.0 77.1295 2100.0 94.9233 350000.0 94.9359 2900.0 94.9795 3100.0 95.0231 7900.0 95.3733 2200.0 96.8913 9300.0 END IONS BEGIN IONS SCANS=913 PEPMASS=96.9674 CHARGE=-1 COLLISION_ENERGY=0.0 50.6822 2300.0 60.6587 2100.0 63.2302 2200.0 68.7143 2400.0 68.8159 3200.0 75.6674 2300.0 78.9576 770000.0 79.9558 92000.0 83.6558 3300.0 89.5361 2600.0 96.8871 4200.0 96.9205 50000.0 96.9418 5300.0 96.9457 14000.0 96.9588 2100000.0 96.9676 58000.0 96.9678 63000.0 96.9916 2300.0 END IONS BEGIN IONS SCANS=914 PEPMASS=135.0278 CHARGE=-1 COLLISION_ENERGY=0.0 51.0518 2300.0 59.0125 13000.0 59.6961 2500.0 71.0121 15000.0 72.9914 21000.0 73.0164 5400.0 75.0071 150000.0 89.0227 12000.0 96.8862 5000.0 96.8916 4300.0 96.9681 5200.0 99.924 36000.0 115.002 3800.0 117.0063 22000.0 117.0175 4300.0 127.0077 2300.0 134.8646 150000.0 134.8935 1500000.0 134.9211 4900.0 135.0172 6200.0 135.0287 43000.0 135.041 3300.0 135.8937 35000.0 143.6833 2600.0 END IONS BEGIN IONS SCANS=915 PEPMASS=103.0161 CHARGE=-1 COLLISION_ENERGY=0.0 51.5469 2200.0 58.2151 2100.0 59.0124 100000.0 71.995 2500.0 76.0052 12000.0 80.3611 2000.0 88.6622 2200.0 103.0162 32000.0 117.4508 2000.0 END IONS BEGIN IONS SCANS=916 PEPMASS=115.0017 CHARGE=-1 COLLISION_ENERGY=0.0 60.3419 1900.0 60.4681 2100.0 66.8972 1900.0 68.8284 1900.0 71.0123 110000.0 73.0392 3100.0 75.7427 2100.0 91.2877 2400.0 96.8893 3200.0 97.9303 2200.0 114.9329 3800.0 115.0021 11000.0 115.029 6500.0 116.0234 3300.0 END IONS BEGIN IONS SCANS=917 PEPMASS=192.0213 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 7200.0 57.8631 2200.0 58.0367 7900.0 59.0127 2300.0 68.0206 3100.0 85.0278 34000.0 86.0313 61000.0 87.0072 81000.0 88.0106 71000.0 96.8883 5900.0 111.0073 80000.0 112.0106 360000.0 129.0182 4500.0 130.0207 17000.0 133.1253 2400.0 148.0315 3300.0 155.9992 2900.0 156.8467 9600.0 174.0114 6600.0 191.8163 3100.0 192.0216 56000.0 192.0773 3600.0 END IONS BEGIN IONS SCANS=918 PEPMASS=133.0131 CHARGE=-1 COLLISION_ENERGY=0.0 53.8517 22000.0 59.0128 37000.0 71.0124 2500000.0 72.9915 450000.0 75.2504 21000.0 87.0074 26000.0 89.0228 260000.0 90.0067 21000.0 115.0021 3900000.0 132.8657 170000.0 132.8995 51000.0 133.0127 840000.0 END IONS BEGIN IONS SCANS=919 PEPMASS=146.0442 CHARGE=-1 COLLISION_ENERGY=0.0 51.5693 2100.0 52.0892 2100.0 57.0333 15000.0 60.992 5000.0 70.0284 38000.0 71.4374 2000.0 72.0439 18000.0 73.05 4200.0 74.0232 290000.0 84.0438 120000.0 96.8901 12000.0 98.023 95000.0 102.0548 8700.0 104.0336 32000.0 116.0337 69000.0 128.0344 4700.0 133.31 2100.0 146.0442 36000.0 END IONS BEGIN IONS SCANS=920 PEPMASS=166.8332 CHARGE=-1 COLLISION_ENERGY=0.0 59.962 2000.0 62.2528 2500.0 76.2353 2300.0 78.9575 9300.0 87.054 2800.0 92.9266 2600.0 96.8904 3500.0 103.0181 2200.0 124.0123 2600.0 135.9716 2500.0 139.3227 2200.0 140.024 7600.0 148.9714 10000.0 166.8337 520000.0 166.9814 12000.0 167.0197 7200.0 167.0349 17000.0 181.914 2100.0 END IONS BEGIN IONS SCANS=921 PEPMASS=191.0195 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 19000.0 52.5268 16000.0 57.0334 270000.0 57.7879 22000.0 58.858 18000.0 67.0176 84000.0 71.964 21000.0 72.9919 19000.0 85.0279 1600000.0 85.0349 22000.0 87.0072 2600000.0 91.0738 18000.0 91.3238 17000.0 96.8894 21000.0 99.4167 16000.0 101.0233 21000.0 111.0074 7500000.0 129.0176 390000.0 130.996 28000.0 133.0139 23000.0 147.028 60000.0 154.9984 32000.0 173.0069 120000.0 191.0193 750000.0 END IONS BEGIN IONS SCANS=922 PEPMASS=116.0331 CHARGE=-1 COLLISION_ENERGY=0.0 52.8327 2300.0 53.6253 2000.0 54.3762 2500.0 61.1354 3000.0 65.013 12000.0 72.0152 2600.0 74.0231 15000.0 89.0129 200000.0 89.0199 4200.0 96.8897 3300.0 98.0232 2100.0 99.2353 2000.0 99.924 6000.0 113.0655 2400.0 115.9191 4200.0 116.0238 190000.0 116.9271 18000.0 133.3727 2300.0 END IONS BEGIN IONS SCANS=923 PEPMASS=255.026 CHARGE=-1 COLLISION_ENERGY=0.0 54.5434 2100.0 59.0124 3700.0 63.4835 2200.0 69.0329 11000.0 71.0124 5500.0 79.4191 2200.0 83.0124 2500.0 85.0277 15000.0 87.007 57000.0 96.8862 2700.0 96.8921 2400.0 97.0275 16000.0 101.0228 2400.0 104.6238 2900.0 111.0072 20000.0 111.0431 5000.0 113.0233 2800.0 121.0281 2400.0 129.018 14000.0 141.0172 14000.0 169.0975 7000.0 198.9519 4300.0 201.0393 20000.0 211.1191 5100.0 218.8505 3500.0 219.0502 170000.0 219.8442 14000.0 END IONS BEGIN IONS SCANS=924 PEPMASS=104.033 CHARGE=-1 COLLISION_ENERGY=0.0 55.9645 2100.0 59.3871 1900.0 60.0159 2500.0 65.3314 2000.0 70.327 2000.0 72.0075 30000.0 74.023 52000.0 96.8854 2900.0 96.8913 3600.0 104.024 6800.0 104.0337 23000.0 117.997 2400.0 END IONS BEGIN IONS SCANS=925 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 55.3213 2100.0 55.6409 2000.0 58.5088 1800.0 64.1747 2100.0 65.9975 2900.0 67.0175 12000.0 96.8896 6100.0 111.0072 41000.0 END IONS BEGIN IONS SCANS=926 PEPMASS=160.8414 CHARGE=-1 COLLISION_ENERGY=0.0 60.4604 6900.0 63.0721 8200.0 66.2115 7500.0 70.3308 7300.0 96.8903 17000.0 101.0893 8300.0 106.6992 9600.0 113.0222 11000.0 116.9273 12000.0 129.199 8700.0 160.8411 5900000.0 END IONS BEGIN IONS SCANS=927 PEPMASS=205.0345 CHARGE=-1 COLLISION_ENERGY=0.0 71.0489 5700.0 81.033 3400.0 82.0944 2400.0 87.0073 3900.0 96.8885 6300.0 98.9381 2600.0 99.0433 68000.0 101.0228 60000.0 111.0068 11000.0 115.0384 36000.0 117.0537 2900.0 125.0092 2700.0 125.0226 240000.0 125.8713 8500.0 133.0468 2500.0 143.0335 46000.0 145.0127 140000.0 145.0289 2300.0 157.8616 5300.0 160.8409 2700.0 186.3408 2400.0 187.0238 95000.0 205.0347 110000.0 END IONS BEGIN IONS SCANS=928 PEPMASS=164.8354 CHARGE=-1 COLLISION_ENERGY=0.0 54.9007 3100.0 57.4239 3200.0 57.6191 3200.0 64.0009 3000.0 75.0073 14000.0 76.3214 2800.0 96.8889 3900.0 96.9585 4600.0 117.9269 4700.0 119.6473 3200.0 121.0278 6900.0 136.295 3300.0 164.807 12000.0 164.836 2300000.0 164.865 13000.0 164.8731 5600.0 165.0386 9400.0 179.3781 3500.0 END IONS BEGIN IONS SCANS=929 PEPMASS=162.8386 CHARGE=-1 COLLISION_ENERGY=0.0 51.0784 8200.0 65.013 92000.0 68.6168 7800.0 80.2517 7800.0 83.0121 17000.0 96.8891 19000.0 101.0225 49000.0 122.1588 7100.0 145.013 13000.0 162.8385 5600000.0 163.0231 28000.0 163.2906 8400.0 176.9099 7300.0 END IONS BEGIN IONS SCANS=930 PEPMASS=355.0662 CHARGE=-1 COLLISION_ENERGY=0.0 55.0175 9700.0 57.0334 65000.0 59.0123 58000.0 62.0075 2500.0 68.9967 3500.0 71.0123 23000.0 72.9913 5000.0 73.0277 25000.0 75.007 5200.0 77.9396 2800.0 83.0121 14000.0 84.0201 7600.0 85.0279 600000.0 87.0072 5100.0 89.0231 6100.0 96.8891 8800.0 99.0073 3200.0 101.0227 19000.0 103.0023 5200.0 111.0071 24000.0 113.023 8200.0 119.0334 3700.0 119.0487 13000.0 129.0177 40000.0 131.0337 3300.0 133.0127 4300.0 147.0283 58000.0 151.06 7300.0 161.0447 6000.0 163.0389 14000.0 173.0082 11000.0 191.0188 170000.0 209.0294 100000.0 250.7979 2700.0 295.1046 7800.0 337.0562 3200.0 355.0686 28000.0 355.126 11000.0 END IONS BEGIN IONS SCANS=931 PEPMASS=172.8406 CHARGE=-1 COLLISION_ENERGY=0.0 51.5395 2200.0 60.5613 2100.0 69.5455 2000.0 85.0279 6600.0 94.1305 2200.0 96.89 3400.0 105.0089 2600.0 111.0067 20000.0 111.0546 6500.0 128.0343 8300.0 129.055 2800.0 129.0652 4500.0 129.1018 2600.0 131.0812 6600.0 138.1944 2600.0 146.0451 3600.0 172.8102 2200.0 172.8293 52000.0 172.8418 360000.0 173.0922 9000.0 177.1542 2500.0 END IONS BEGIN IONS SCANS=932 PEPMASS=84.994 CHARGE=-1 COLLISION_ENERGY=0.0 51.0269 36000.0 57.9921 530000.0 68.0 49000.0 85.0029 10000000.0 85.0133 62000.0 96.6917 36000.0 96.8911 64000.0 99.5381 40000.0 END IONS BEGIN IONS SCANS=933 PEPMASS=174.8376 CHARGE=-1 COLLISION_ENERGY=0.0 86.1306 2000.0 87.007 5200.0 96.8895 2700.0 104.8576 2300.0 116.9271 4900.0 146.9598 9000.0 167.0219 1900.0 174.8073 2100.0 174.8101 3900.0 174.8388 330000.0 END IONS BEGIN IONS SCANS=934 PEPMASS=195.8185 CHARGE=-1 COLLISION_ENERGY=0.0 51.7235 7600.0 52.4312 9800.0 59.2392 7600.0 60.0271 8000.0 71.9585 7800.0 85.9525 7900.0 88.3775 8500.0 96.8867 19000.0 96.8926 12000.0 99.2185 7900.0 101.7673 6700.0 141.3265 8700.0 158.8454 61000.0 160.8408 3100000.0 195.8101 2200000.0 END IONS BEGIN IONS SCANS=935 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 55.7647 28000.0 57.9919 370000.0 84.9921 39000.0 85.0027 7200000.0 87.0954 30000.0 93.3206 36000.0 94.5511 25000.0 95.7173 29000.0 96.8856 35000.0 96.891 65000.0 END IONS BEGIN IONS SCANS=936 PEPMASS=195.811 CHARGE=-1 COLLISION_ENERGY=0.0 55.3027 7700.0 60.0345 8700.0 60.4679 8900.0 62.6708 8000.0 96.8883 29000.0 99.9222 8800.0 106.4297 10000.0 158.8453 110000.0 160.8132 43000.0 160.8413 7400000.0 195.8105 4600000.0 195.8476 23000.0 206.8337 8300.0 END IONS BEGIN IONS SCANS=937 PEPMASS=197.8079 CHARGE=-1 COLLISION_ENERGY=0.0 51.5245 10000.0 52.8423 8900.0 55.8725 11000.0 69.5862 9600.0 71.9786 11000.0 73.2392 11000.0 81.2489 10000.0 85.0967 12000.0 96.8899 31000.0 137.1314 11000.0 138.0604 11000.0 160.8411 2200000.0 162.8381 6000000.0 170.9573 11000.0 176.9872 11000.0 197.7696 39000.0 197.8074 5900000.0 END IONS BEGIN IONS SCANS=938 PEPMASS=199.8047 CHARGE=-1 COLLISION_ENERGY=0.0 54.1851 4000.0 54.2429 3300.0 70.4552 2900.0 78.1544 3000.0 90.8969 3500.0 96.8918 3900.0 115.9327 3800.0 150.9303 3300.0 162.838 1800000.0 162.8662 9600.0 164.8351 1600000.0 199.8046 2500000.0 199.8433 18000.0 199.8996 4500.0 END IONS BEGIN IONS SCANS=939 PEPMASS=201.8009 CHARGE=-1 COLLISION_ENERGY=0.0 54.8045 2500.0 59.4881 2600.0 60.8754 2600.0 63.0508 2100.0 81.2762 2800.0 92.8116 2300.0 96.8905 2900.0 144.1979 2300.0 164.8346 550000.0 164.8628 3200.0 166.8313 150000.0 184.8746 4200.0 201.8011 550000.0 207.1363 2100.0 219.8448 3800.0 END IONS BEGIN IONS SCANS=940 PEPMASS=207.8358 CHARGE=-1 COLLISION_ENERGY=0.0 51.5219 2500.0 62.0812 2500.0 67.5066 2300.0 80.5007 2200.0 91.6656 2200.0 96.8887 6900.0 107.4377 2000.0 122.8927 2900.0 125.8715 68000.0 127.8553 2500.0 127.8571 3700.0 127.8686 150000.0 157.8616 35000.0 159.8588 61000.0 162.8376 62000.0 163.8456 55000.0 187.6006 2300.0 207.8367 7800.0 END IONS BEGIN IONS SCANS=941 PEPMASS=205.8387 CHARGE=-1 COLLISION_ENERGY=0.0 51.5064 2200.0 54.5408 2300.0 55.5637 2000.0 86.0231 2200.0 93.1604 2100.0 96.8881 3400.0 122.8929 4400.0 123.8761 4600.0 125.8714 240000.0 126.0604 2200.0 157.8614 94000.0 160.8406 72000.0 161.3976 2600.0 161.8483 60000.0 187.0948 2500.0 205.839 11000.0 END IONS BEGIN IONS SCANS=942 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 51.5385 30000.0 52.741 27000.0 53.2937 31000.0 57.9921 410000.0 75.7283 35000.0 85.0028 8800000.0 96.6105 27000.0 96.8877 44000.0 END IONS BEGIN IONS SCANS=943 PEPMASS=259.8142 CHARGE=-1 COLLISION_ENERGY=0.0 53.74 2500.0 88.7539 2500.0 96.8868 3100.0 115.8829 2500.0 127.8683 4400.0 190.4689 2100.0 196.6366 2500.0 203.8302 3000.0 221.8418 440000.0 222.8515 2800.0 223.8389 270000.0 241.8863 2500.0 244.3423 2300.0 259.8158 31000.0 283.9868 2900.0 END IONS BEGIN IONS SCANS=944 PEPMASS=257.8179 CHARGE=-1 COLLISION_ENERGY=0.0 51.5356 2400.0 89.3919 2200.0 96.8865 6400.0 103.9186 5100.0 104.7611 2600.0 122.8924 14000.0 125.871 28000.0 150.9955 2600.0 157.4801 2500.0 157.8614 14000.0 166.8652 2900.0 177.9112 18000.0 184.8757 4900.0 186.872 5400.0 202.8851 2800.0 203.8298 4500.0 219.7996 3300.0 219.8447 560000.0 221.7843 3600.0 221.8418 1200000.0 221.8859 2100.0 221.9013 15000.0 222.8488 3300.0 257.8182 61000.0 END IONS BEGIN IONS SCANS=945 PEPMASS=255.821 CHARGE=-1 COLLISION_ENERGY=0.0 53.3703 2900.0 53.6165 2700.0 54.9607 4100.0 55.3542 2200.0 55.9487 2300.0 58.2327 2400.0 60.3166 2300.0 89.8287 2700.0 93.7747 2500.0 96.8886 5100.0 100.983 2400.0 103.5396 2600.0 118.78 2500.0 166.8656 3500.0 184.875 15000.0 194.7668 3100.0 201.8324 13000.0 201.8773 4400.0 202.8865 6200.0 217.8498 35000.0 219.7877 5700.0 219.8004 15000.0 219.845 2200000.0 219.8807 8900.0 219.8898 15000.0 219.9018 5200.0 220.8517 3800.0 237.8572 7300.0 255.8212 76000.0 END IONS BEGIN IONS SCANS=946 PEPMASS=217.029 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 2400.0 75.5369 2200.0 96.8908 2700.0 98.8447 1900.0 108.1316 2300.0 111.0077 2700.0 129.8386 2200.0 136.4124 2200.0 142.5662 2100.0 209.8715 2200.0 END IONS BEGIN IONS SCANS=947 PEPMASS=215.0324 CHARGE=-1 COLLISION_ENERGY=0.0 60.3978 2300.0 67.4102 2300.0 76.851 2300.0 85.0029 3400.0 89.0231 3200.0 94.9234 2900.0 96.8885 4000.0 106.7415 2500.0 117.6743 2300.0 120.9202 2500.0 124.9217 2000.0 126.0802 2100.0 145.8613 7000.0 163.871 3500.0 178.9015 13000.0 179.696 2200.0 215.009 2100.0 END IONS BEGIN IONS SCANS=948 PEPMASS=225.0606 CHARGE=-1 COLLISION_ENERGY=0.0 55.3683 2000.0 56.0679 2100.0 65.4906 2200.0 70.8535 2000.0 72.7092 2300.0 96.8913 2300.0 104.3022 2200.0 104.8914 2100.0 105.954 2000.0 113.3975 2500.0 122.13 2500.0 161.0441 7300.0 179.0546 22000.0 216.3269 2600.0 225.0607 4600.0 END IONS BEGIN IONS SCANS=949 PEPMASS=112.9839 CHARGE=-1 COLLISION_ENERGY=0.0 55.1555 2000.0 68.9943 33000.0 69.7588 2000.0 72.8896 3200.0 72.8933 2600.0 78.9482 2400.0 84.9891 3300.0 85.0031 4900.0 96.8859 6200.0 96.8922 5800.0 112.9977 19000.0 120.4462 2000.0 123.4139 2400.0 END IONS BEGIN IONS SCANS=950 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9918 6300.0 61.1753 3400.0 80.2024 4200.0 80.5446 3800.0 84.977 3400.0 84.9921 16000.0 84.9941 5900.0 85.0028 2000000.0 96.8859 9900.0 96.8926 9100.0 126.31 3300.0 133.7363 3300.0 145.3969 3100.0 173.6937 3800.0 188.3105 3400.0 193.0865 7000.0 END IONS BEGIN IONS SCANS=951 PEPMASS=211.0076 CHARGE=-1 COLLISION_ENERGY=0.0 56.7184 2400.0 59.0127 6800.0 61.7383 2200.0 66.3737 2300.0 72.982 3400.0 77.596 2100.0 84.91 2100.0 85.0027 190000.0 85.0101 3100.0 96.8886 14000.0 103.0135 4900.0 126.5042 2100.0 156.6938 2500.0 214.6003 2200.0 232.4876 2200.0 END IONS BEGIN IONS SCANS=952 PEPMASS=84.9943 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 500000.0 68.0 32000.0 76.4142 30000.0 85.0028 9600000.0 85.0133 51000.0 96.8892 67000.0 END IONS BEGIN IONS SCANS=953 PEPMASS=377.0867 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 41000.0 67.1939 3700.0 71.0123 31000.0 72.6867 3400.0 74.8591 4100.0 76.2285 3600.0 85.7791 3400.0 89.0227 56000.0 93.9057 3500.0 96.8899 5700.0 101.023 17000.0 113.0228 16000.0 119.033 20000.0 136.284 4000.0 140.6095 4200.0 143.0338 6600.0 143.2677 3300.0 161.0444 4700.0 179.054 27000.0 179.8512 3700.0 197.0218 11000.0 215.0316 60000.0 341.1093 310000.0 352.5343 4300.0 367.79 4100.0 377.0865 490000.0 END IONS BEGIN IONS SCANS=954 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 52.1013 3800.0 59.013 4600.0 67.3737 4100.0 71.0124 410000.0 71.0174 9000.0 72.9914 77000.0 84.1432 3700.0 87.0074 5800.0 89.0227 45000.0 89.1577 4200.0 96.8899 7100.0 104.0177 3800.0 107.5483 5100.0 115.002 650000.0 115.9193 5700.0 127.0425 4900.0 132.8662 33000.0 133.0125 130000.0 END IONS BEGIN IONS SCANS=955 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 51.5437 2700.0 71.0124 14000.0 82.5771 2400.0 95.5884 2000.0 96.2305 2100.0 105.898 2000.0 115.0013 2400.0 115.0288 7800.0 122.8623 2100.0 131.6055 2000.0 END IONS BEGIN IONS SCANS=956 PEPMASS=102.008 CHARGE=-1 COLLISION_ENERGY=0.0 54.0226 2200.0 55.5272 2000.0 66.1931 1800.0 68.7414 1800.0 70.3064 2100.0 73.7245 1900.0 83.4671 2100.0 83.5927 1800.0 87.3725 1900.0 96.8912 4800.0 101.9317 2100.0 102.0083 7000.0 102.0542 23000.0 116.9196 7900.0 118.9124 1900.0 END IONS BEGIN IONS SCANS=957 PEPMASS=475.1289 CHARGE=-1 COLLISION_ENERGY=0.0 58.1591 2400.0 63.8016 2600.0 69.5696 2800.0 70.8961 2600.0 71.0125 12000.0 72.809 4400.0 72.9918 3400.0 93.4661 2500.0 96.8908 13000.0 115.0021 44000.0 133.0126 180000.0 237.6335 2700.0 257.9052 3000.0 305.9861 2700.0 365.0998 2800.0 424.3237 2900.0 END IONS BEGIN IONS 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89.0227 3800000.0 95.0122 110000.0 96.8874 620000.0 101.0226 1500000.0 103.9013 95000.0 112.2884 95000.0 113.0225 1500000.0 119.0331 1600000.0 121.2079 100000.0 131.0333 250000.0 143.0328 560000.0 146.6268 98000.0 149.0437 150000.0 150.6399 110000.0 156.1965 120000.0 161.0434 480000.0 175.6443 100000.0 179.0542 1700000.0 199.1571 120000.0 218.4184 100000.0 259.9757 150000.0 341.1089 14000000.0 373.5092 110000.0 379.765 110000.0 END IONS BEGIN IONS SCANS=961 PEPMASS=341.11 CHARGE=-1 COLLISION_ENERGY=0.0 55.0175 23000.0 57.0331 31000.0 58.0045 27000.0 59.0126 4100000.0 64.2008 17000.0 71.0124 2700000.0 72.6972 21000.0 72.9914 46000.0 73.0274 74000.0 73.4461 14000.0 77.2427 14000.0 81.5862 16000.0 83.0124 67000.0 85.0278 230000.0 87.0071 160000.0 89.0229 3600000.0 95.0121 140000.0 96.8852 26000.0 96.8919 64000.0 97.0272 18000.0 101.0228 1600000.0 101.0318 20000.0 107.0333 36000.0 113.0227 1400000.0 113.0333 13000.0 119.0212 16000.0 119.0229 25000.0 119.0332 1200000.0 122.4461 14000.0 125.0232 52000.0 131.0329 210000.0 143.0334 390000.0 149.0438 120000.0 149.7194 15000.0 161.0439 390000.0 179.0545 1200000.0 188.0448 17000.0 201.0312 19000.0 202.3057 16000.0 341.1089 3800000.0 END IONS BEGIN IONS SCANS=962 PEPMASS=683.2252 CHARGE=-1 COLLISION_ENERGY=0.0 52.598 3200.0 58.0047 4100.0 59.0125 280000.0 65.5546 3300.0 71.0124 220000.0 71.0173 7600.0 73.0279 3700.0 76.7868 3500.0 78.3171 3200.0 79.8079 3400.0 83.012 4600.0 85.0277 21000.0 86.6606 3500.0 87.007 11000.0 89.0228 280000.0 89.0307 4400.0 95.012 7200.0 96.8859 5200.0 96.8913 7100.0 101.0228 120000.0 112.6094 3300.0 113.0228 110000.0 119.0333 95000.0 120.096 3700.0 125.022 5700.0 125.9915 3300.0 131.0335 13000.0 143.0334 35000.0 149.044 12000.0 155.2059 4300.0 161.044 27000.0 179.0545 100000.0 191.5644 3800.0 230.3395 3500.0 289.9511 3900.0 341.1096 1100000.0 356.1008 3800.0 END IONS BEGIN IONS SCANS=963 PEPMASS=384.1159 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 28000.0 59.8542 2200.0 61.3559 2300.0 71.0121 17000.0 72.6028 5000.0 78.5208 2600.0 83.8404 2600.0 89.0227 42000.0 94.3211 2300.0 96.8857 9200.0 96.8926 7900.0 101.0226 19000.0 102.0276 2500.0 113.0226 17000.0 119.033 14000.0 131.0334 4400.0 143.0333 3400.0 161.044 5000.0 179.0552 20000.0 193.0573 2700.0 283.3019 2600.0 320.7638 2700.0 341.1091 160000.0 END IONS BEGIN IONS SCANS=964 PEPMASS=404.1032 CHARGE=-1 COLLISION_ENERGY=0.0 52.5608 2400.0 52.699 2400.0 61.9871 880000.0 61.9924 3200.0 61.9936 4300.0 70.7406 2800.0 104.2911 2700.0 199.924 2600.0 404.1049 6300.0 426.4084 2800.0 END IONS BEGIN IONS SCANS=965 PEPMASS=426.1233 CHARGE=-1 COLLISION_ENERGY=0.0 54.548 2300.0 57.5473 2300.0 59.0121 13000.0 59.1789 2400.0 71.0124 8800.0 72.8842 3900.0 76.7527 2700.0 83.0233 15000.0 84.0073 61000.0 89.0223 15000.0 89.5401 2600.0 96.8846 6100.0 96.8912 13000.0 101.0232 4600.0 104.533 2600.0 113.0228 5200.0 119.0337 7300.0 179.0553 9200.0 225.6751 2400.0 268.3134 2500.0 341.1089 60000.0 387.784 2900.0 END IONS BEGIN IONS SCANS=966 PEPMASS=100.9315 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8300.0 60.4565 3000.0 71.0121 5500.0 71.9496 2700.0 89.023 9800.0 90.0266 3900.0 101.023 5800.0 113.0223 3000.0 119.0338 3800.0 269.0516 2700.0 342.1151 6200.0 344.1183 48000.0 373.77 2500.0 END IONS BEGIN IONS SCANS=970 PEPMASS=463.1186 CHARGE=-1 COLLISION_ENERGY=0.0 50.0023 25000.0 59.0125 4300.0 60.4652 2500.0 67.9159 2700.0 77.013 170000.0 93.3804 2800.0 96.8868 2700.0 121.0023 23000.0 147.8562 2700.0 152.8563 2700.0 259.2161 2700.0 341.1079 20000.0 END IONS BEGIN IONS SCANS=971 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 440000.0 58.6055 29000.0 67.9998 41000.0 85.0028 9100000.0 91.8469 31000.0 96.8882 48000.0 101.1213 35000.0 END IONS BEGIN IONS SCANS=972 PEPMASS=455.1006 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 3700.0 68.9941 33000.0 72.8208 5200.0 81.798 2900.0 89.0225 5100.0 91.8599 2500.0 96.8918 11000.0 101.0228 3900.0 112.9839 530000.0 149.3379 2600.0 161.0952 3000.0 235.9617 2900.0 341.1083 40000.0 409.0964 35000.0 428.929 2700.0 442.2714 2700.0 END IONS BEGIN IONS 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90.4772 2000.0 90.4832 2100.0 95.0232 34000.0 96.0072 32000.0 96.8894 8000.0 97.0149 3200.0 112.9842 2100.0 112.9979 14000.0 113.022 2900.0 113.0339 110000.0 113.0442 2300.0 114.0177 2500.0 END IONS BEGIN IONS SCANS=986 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 6600.0 84.9922 16000.0 84.9947 10000.0 85.0029 2400000.0 85.0136 14000.0 98.3122 3400.0 122.2538 3400.0 155.0683 3200.0 165.4453 3200.0 193.0859 7100.0 END IONS BEGIN IONS SCANS=987 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 59.781 3400.0 64.0304 3700.0 72.0075 51000.0 74.023 110000.0 74.0291 3800.0 83.1845 3200.0 96.8878 4300.0 104.0237 9900.0 104.0338 36000.0 END IONS BEGIN IONS SCANS=988 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 12000.0 65.4702 2200.0 69.7528 2100.0 81.1822 2300.0 85.0027 290000.0 103.0134 8000.0 139.4248 2400.0 139.7813 2500.0 180.4292 2200.0 212.7079 2200.0 END IONS BEGIN IONS SCANS=989 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 52.4594 33000.0 57.9921 630000.0 65.4806 33000.0 81.9664 32000.0 85.0029 12000000.0 85.0134 87000.0 89.8119 31000.0 94.6224 31000.0 96.8877 90000.0 END IONS BEGIN IONS SCANS=990 PEPMASS=96.958 CHARGE=-1 COLLISION_ENERGY=0.0 51.5145 2300.0 51.5176 2400.0 53.1959 2000.0 70.703 1900.0 75.2434 2000.0 78.9576 12000.0 79.9558 17000.0 96.8861 2700.0 96.9585 310000.0 97.4965 2300.0 107.7891 2100.0 END IONS BEGIN IONS SCANS=991 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 60.0162 4500.0 60.4979 3600.0 65.9064 5100.0 71.9963 4100.0 96.8118 4500.0 97.1204 4300.0 104.0243 8600.0 105.7222 4200.0 115.9188 4500.0 116.5581 4200.0 END IONS BEGIN IONS SCANS=992 PEPMASS=315.0817 CHARGE=-1 COLLISION_ENERGY=0.0 71.2844 2600.0 81.324 2200.0 96.8891 4100.0 102.0543 37000.0 128.0234 4400.0 128.0332 39000.0 146.0442 210000.0 168.0262 63000.0 220.8393 2700.0 315.0808 37000.0 END IONS BEGIN IONS SCANS=993 PEPMASS=315.081 CHARGE=-1 COLLISION_ENERGY=0.0 61.5859 2100.0 63.7896 2300.0 64.1407 2600.0 69.8214 2200.0 70.8579 2400.0 80.3327 2600.0 96.8852 5100.0 96.8913 7500.0 100.214 2700.0 102.0545 25000.0 105.7967 2200.0 113.1494 2300.0 124.0092 2300.0 128.0332 26000.0 146.0444 160000.0 168.0269 43000.0 195.8963 2600.0 315.0796 18000.0 319.0208 3100.0 END IONS BEGIN IONS SCANS=994 PEPMASS=191.019 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 29000.0 59.0122 3700.0 61.3993 2400.0 67.0176 4400.0 67.0744 2300.0 85.0278 170000.0 87.007 260000.0 96.8901 4400.0 101.0227 5300.0 102.9472 13000.0 111.0071 750000.0 111.023 4900.0 129.0174 42000.0 129.042 2200.0 129.0539 2900.0 130.9969 3400.0 133.0132 2600.0 146.9381 2500.0 147.0283 11000.0 154.9969 5400.0 169.2945 2600.0 173.0071 13000.0 191.0186 90000.0 191.0553 10000.0 END IONS BEGIN IONS SCANS=995 PEPMASS=147.0473 CHARGE=-1 COLLISION_ENERGY=0.0 53.7395 2000.0 59.0126 2200.0 61.9868 2500.0 62.5898 2100.0 63.7662 2600.0 73.182 2600.0 85.0274 3500.0 87.0074 3600.0 94.8356 2100.0 96.8884 10000.0 102.0547 13000.0 103.0579 56000.0 129.037 27000.0 147.048 14000.0 157.0401 2300.0 164.5228 2300.0 166.8705 2400.0 END IONS BEGIN IONS SCANS=996 PEPMASS=102.054 CHARGE=-1 COLLISION_ENERGY=0.0 50.7328 2400.0 50.7352 2000.0 85.2999 2000.0 96.8912 4500.0 99.9242 2200.0 102.0081 5400.0 102.0543 29000.0 108.4534 2500.0 116.9194 7800.0 END IONS BEGIN IONS SCANS=997 PEPMASS=146.0447 CHARGE=-1 COLLISION_ENERGY=0.0 61.4497 8000.0 85.0278 9300.0 96.8904 12000.0 102.0545 920000.0 117.1641 8000.0 128.0335 380000.0 131.7959 7700.0 146.0442 170000.0 157.2952 7500.0 END IONS BEGIN IONS SCANS=998 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 51.541 2600.0 53.0132 2200.0 57.0332 19000.0 62.2401 2100.0 67.0173 2600.0 74.6271 2300.0 79.0212 2100.0 85.0278 100000.0 87.007 150000.0 96.8906 3900.0 102.947 8900.0 111.007 440000.0 129.0172 21000.0 130.9975 2100.0 143.833 2500.0 146.936 2600.0 147.028 3800.0 148.1319 2600.0 154.9974 3600.0 164.6943 2200.0 173.0077 7600.0 190.3054 2600.0 191.0185 53000.0 191.0548 5600.0 205.8198 2500.0 END IONS BEGIN IONS SCANS=999 PEPMASS=128.033 CHARGE=-1 COLLISION_ENERGY=0.0 51.5236 2700.0 57.816 2000.0 64.5639 1900.0 76.0061 2200.0 84.382 2100.0 96.8902 4000.0 102.0498 2000.0 106.0198 2000.0 111.526 1900.0 128.0111 35000.0 128.0333 55000.0 145.7244 2400.0 END IONS BEGIN IONS SCANS=1000 PEPMASS=133.013 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 9500.0 61.4156 9100.0 69.0496 8600.0 71.0068 11000.0 71.0124 870000.0 72.9916 150000.0 87.0071 11000.0 89.0229 89000.0 96.8878 11000.0 115.0021 1400000.0 116.8665 9400.0 132.8667 48000.0 133.0126 320000.0 137.4126 7800.0 END IONS BEGIN IONS SCANS=1001 PEPMASS=115.0016 CHARGE=-1 COLLISION_ENERGY=0.0 50.0611 1900.0 54.0219 2000.0 71.0124 41000.0 73.0389 2900.0 78.7739 2300.0 83.7003 2200.0 110.8302 2200.0 114.9328 7100.0 115.0023 5200.0 115.0287 7100.0 122.0347 2100.0 125.4488 2000.0 END IONS BEGIN IONS SCANS=1002 PEPMASS=145.0601 CHARGE=-1 COLLISION_ENERGY=0.0 51.5257 2600.0 53.1613 2300.0 58.0286 6200.0 74.023 11000.0 82.0281 4800.0 84.044 20000.0 86.0232 3800.0 96.89 3500.0 98.0227 3100.0 99.0543 3200.0 101.0708 8800.0 102.0546 11000.0 107.0236 3000.0 109.0394 15000.0 115.9194 4000.0 125.0338 7100.0 127.0496 42000.0 128.0338 29000.0 141.8813 2200.0 145.0603 36000.0 146.0442 2500.0 161.0093 2500.0 163.0687 2000.0 END IONS BEGIN IONS SCANS=1003 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 470000.0 84.4301 26000.0 85.0028 8500000.0 88.4735 29000.0 96.8902 90000.0 98.2481 26000.0 100.538 27000.0 END IONS BEGIN IONS SCANS=1004 PEPMASS=85.0121 CHARGE=-1 COLLISION_ENERGY=0.0 56.0355 28000.0 57.992 490000.0 64.7332 28000.0 70.9212 25000.0 77.5183 24000.0 85.0028 8700000.0 96.89 36000.0 99.0632 23000.0 END IONS BEGIN IONS SCANS=1005 PEPMASS=84.9941 CHARGE=-1 COLLISION_ENERGY=0.0 56.7135 35000.0 57.992 560000.0 63.7302 34000.0 72.0778 39000.0 78.3901 32000.0 85.0028 11000000.0 86.5801 32000.0 END IONS BEGIN IONS SCANS=1006 PEPMASS=215.0324 CHARGE=-1 COLLISION_ENERGY=0.0 50.9765 2300.0 51.5114 2100.0 51.5152 2700.0 52.5266 2300.0 55.093 2000.0 89.6222 2100.0 96.8865 5300.0 96.893 4500.0 108.8846 2300.0 115.4124 2300.0 149.3587 2100.0 161.261 2400.0 173.4371 2600.0 188.5882 2300.0 197.2113 2400.0 215.0104 3000.0 215.0325 3400.0 END IONS BEGIN IONS SCANS=1007 PEPMASS=217.0292 CHARGE=-1 COLLISION_ENERGY=0.0 55.1273 2200.0 86.8136 2100.0 88.0386 18000.0 96.8925 3300.0 119.1571 2700.0 128.0341 8400.0 129.1018 6300.0 153.6568 2300.0 155.0817 3800.0 173.0912 11000.0 199.072 10000.0 217.0251 4000.0 217.0832 15000.0 END IONS BEGIN IONS SCANS=1008 PEPMASS=225.0614 CHARGE=-1 COLLISION_ENERGY=0.0 51.2887 2400.0 51.6115 2500.0 58.7544 2400.0 71.9864 2400.0 87.007 11000.0 98.5991 2500.0 117.018 4800.0 125.0227 2600.0 161.0438 20000.0 179.0546 120000.0 225.0616 7000.0 END IONS BEGIN IONS SCANS=1009 PEPMASS=179.0541 CHARGE=-1 COLLISION_ENERGY=0.0 51.5356 2700.0 53.1209 2200.0 54.2258 2000.0 59.0123 20000.0 59.2116 2300.0 65.0845 2400.0 69.0331 3000.0 71.0122 24000.0 73.0278 9500.0 75.0069 39000.0 81.0328 3400.0 83.0122 5600.0 85.0277 22000.0 87.007 89000.0 88.4685 2200.0 89.0224 10000.0 96.8895 3300.0 97.0278 6000.0 99.0068 23000.0 101.0229 12000.0 113.0223 3300.0 117.0175 23000.0 125.0227 18000.0 129.0168 2300.0 141.0183 12000.0 143.0332 4500.0 159.0284 7000.0 161.0441 88000.0 177.0389 3100.0 178.3331 2200.0 179.0547 140000.0 END IONS BEGIN IONS SCANS=1010 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 58.1002 1900.0 59.0124 150000.0 60.257 2000.0 76.005 12000.0 90.3109 2000.0 96.89 2400.0 97.2217 2300.0 101.3159 2100.0 103.0161 32000.0 103.0278 2100.0 103.7028 2000.0 104.6456 2500.0 120.715 2100.0 124.8491 2600.0 END IONS BEGIN IONS SCANS=1011 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 4800.0 70.7062 4000.0 73.4381 3900.0 75.5291 3700.0 84.5452 4000.0 84.9921 17000.0 84.9947 7200.0 85.0029 2300000.0 85.0135 13000.0 96.8913 3800.0 193.0869 8300.0 END IONS BEGIN IONS SCANS=1012 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 55.1943 2300.0 59.0123 12000.0 61.5708 2400.0 85.0027 250000.0 87.2381 2200.0 96.8871 2400.0 103.0133 8100.0 119.5597 2300.0 END IONS BEGIN IONS SCANS=1013 PEPMASS=104.027 CHARGE=-1 COLLISION_ENERGY=0.0 53.9927 4100.0 54.1825 3300.0 60.5009 3500.0 79.0759 3200.0 83.0424 2900.0 84.6289 3300.0 96.8897 12000.0 99.1419 3300.0 104.0239 11000.0 108.9122 3100.0 END IONS BEGIN IONS SCANS=1014 PEPMASS=84.9996 CHARGE=-1 COLLISION_ENERGY=0.0 51.1665 32000.0 57.992 470000.0 63.5565 41000.0 71.9432 41000.0 71.9981 38000.0 85.0028 9600000.0 85.7106 31000.0 94.1012 35000.0 94.2365 31000.0 END IONS BEGIN IONS SCANS=1015 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 50.8006 27000.0 57.992 420000.0 66.9176 26000.0 67.9998 28000.0 85.0028 8400000.0 85.4262 28000.0 96.8909 49000.0 END IONS BEGIN IONS SCANS=1016 PEPMASS=133.012 CHARGE=-1 COLLISION_ENERGY=0.0 61.1577 2000.0 62.7145 2100.0 71.0123 95000.0 72.5311 2500.0 72.9913 17000.0 89.0226 12000.0 96.8865 5000.0 113.0348 2300.0 115.002 140000.0 115.0382 3500.0 116.0227 4600.0 125.7477 2400.0 132.8661 23000.0 133.0126 28000.0 END IONS BEGIN IONS SCANS=1017 PEPMASS=285.0813 CHARGE=-1 COLLISION_ENERGY=0.0 53.8795 2400.0 62.3536 3000.0 70.0282 18000.0 71.0237 10000.0 72.0076 7700.0 77.272 2500.0 89.7462 2600.0 95.0232 34000.0 96.8893 7500.0 104.7318 2500.0 107.095 2800.0 111.0184 17000.0 113.034 300000.0 114.0181 150000.0 131.0245 3900.0 131.0448 880000.0 181.2522 2500.0 196.8203 2600.0 218.8145 2600.0 232.2274 3000.0 267.0716 14000.0 285.0818 85000.0 289.8141 2600.0 291.5155 2400.0 END IONS BEGIN IONS SCANS=1018 PEPMASS=131.0451 CHARGE=-1 COLLISION_ENERGY=0.0 54.0148 11000.0 58.0285 57000.0 63.7478 11000.0 63.752 13000.0 70.0283 570000.0 71.0122 20000.0 71.0235 130000.0 72.0074 190000.0 87.0545 12000.0 95.0232 260000.0 96.8886 26000.0 108.9166 12000.0 111.0188 45000.0 113.0338 630000.0 114.018 1100000.0 131.0442 160000.0 END IONS BEGIN IONS SCANS=1019 PEPMASS=191.019 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 30000.0 59.0126 2600.0 67.0173 6600.0 83.5739 2400.0 85.0279 180000.0 87.0072 270000.0 96.8874 2700.0 101.0229 3900.0 102.9475 6500.0 103.0383 2400.0 111.0073 790000.0 113.0341 3300.0 129.0177 40000.0 129.0537 2700.0 130.9971 2900.0 131.0446 8700.0 147.0284 6100.0 154.997 6500.0 173.0082 14000.0 191.0189 98000.0 191.0551 5100.0 END IONS BEGIN IONS SCANS=1020 PEPMASS=216.0229 CHARGE=-1 COLLISION_ENERGY=0.0 50.3581 2200.0 61.9869 120000.0 61.991 3400.0 64.7097 2000.0 71.4405 2000.0 77.4117 2000.0 96.8882 3200.0 99.2568 2700.0 111.0074 8700.0 113.0342 24000.0 113.8951 2400.0 114.0184 7400.0 131.0446 63000.0 133.824 2400.0 135.7082 2500.0 144.4554 2200.0 198.0131 2800.0 216.0243 6800.0 231.1014 2500.0 END IONS BEGIN IONS SCANS=1021 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 50.978 2300.0 57.0332 27000.0 59.0124 4200.0 67.0174 6700.0 69.8009 2400.0 79.2079 2200.0 85.028 140000.0 85.376 2100.0 87.0072 210000.0 87.0138 3500.0 87.015 2500.0 102.947 5000.0 111.0073 590000.0 114.0175 3200.0 129.0177 31000.0 131.0448 8800.0 147.0285 5400.0 147.5792 2600.0 154.9972 7300.0 173.0081 11000.0 191.0188 64000.0 191.0561 11000.0 END IONS BEGIN IONS SCANS=1022 PEPMASS=114.0176 CHARGE=-1 COLLISION_ENERGY=0.0 52.7238 2100.0 52.932 1800.0 54.4454 1900.0 66.7645 2100.0 66.9122 2100.0 70.0284 61000.0 71.0126 6700.0 71.5458 2600.0 71.6517 2200.0 72.0078 5100.0 77.9888 2700.0 79.6795 2200.0 88.9671 2300.0 96.8928 1900.0 114.011 2200.0 114.0179 13000.0 114.0376 8400.0 END IONS BEGIN IONS SCANS=1023 PEPMASS=113.0337 CHARGE=-1 COLLISION_ENERGY=0.0 51.3355 1900.0 68.9942 45000.0 70.0283 5200.0 71.0808 2200.0 78.466 2300.0 81.6939 2000.0 84.9893 3600.0 85.0028 2200.0 85.0388 2600.0 93.647 2000.0 95.0233 22000.0 96.0073 26000.0 96.8903 6500.0 97.0149 4300.0 100.3567 1800.0 101.7045 2100.0 112.9975 13000.0 113.0341 73000.0 END IONS BEGIN IONS SCANS=1024 PEPMASS=131.0439 CHARGE=-1 COLLISION_ENERGY=0.0 50.988 1900.0 58.0284 3200.0 65.997 3300.0 70.0282 31000.0 71.0236 6900.0 72.0075 11000.0 78.8455 2200.0 81.0136 2100.0 82.8102 2000.0 95.0231 14000.0 95.1941 1900.0 96.8883 3000.0 100.8679 1900.0 111.0183 4200.0 112.2399 2000.0 113.034 36000.0 114.018 68000.0 123.8627 2100.0 131.0346 13000.0 131.0451 12000.0 END IONS BEGIN IONS SCANS=1025 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 67.5281 2300.0 70.7522 1900.0 71.0123 34000.0 73.0392 2600.0 86.8682 2300.0 91.0275 2100.0 94.3998 2100.0 96.2556 1900.0 96.8888 3800.0 98.4351 1800.0 115.0024 4300.0 115.0285 4400.0 END IONS BEGIN IONS SCANS=1026 PEPMASS=132.0473 CHARGE=-1 COLLISION_ENERGY=0.0 51.5066 2100.0 53.6228 2000.0 58.0283 2300.0 70.0284 12000.0 71.0122 7000.0 71.0315 18000.0 72.0076 7900.0 72.0267 3300.0 73.0109 3400.0 96.0212 2500.0 96.0262 12000.0 96.8875 2700.0 102.1911 2200.0 109.8596 2200.0 112.0223 2600.0 114.0182 4200.0 114.0303 4000.0 114.0374 38000.0 115.0018 14000.0 115.0216 59000.0 119.6524 2400.0 129.934 2400.0 132.0486 11000.0 132.8661 5100.0 149.5041 2200.0 END IONS BEGIN IONS SCANS=1027 PEPMASS=133.0129 CHARGE=-1 COLLISION_ENERGY=0.0 54.4674 8300.0 56.8829 7100.0 57.011 7000.0 59.0125 10000.0 60.4647 7700.0 64.1688 8300.0 64.9718 7900.0 71.0124 700000.0 71.0174 16000.0 71.018 8800.0 72.9915 130000.0 83.0525 9200.0 86.8205 7200.0 87.0077 9100.0 89.0227 73000.0 90.0537 6500.0 96.8896 11000.0 105.8692 7600.0 111.9336 7300.0 115.0022 1100000.0 132.8666 22000.0 133.0127 280000.0 END IONS BEGIN IONS SCANS=1028 PEPMASS=193.0051 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 4200.0 79.7057 2600.0 81.1472 2800.0 84.9921 17000.0 84.9942 11000.0 85.0028 2300000.0 85.0113 12000.0 85.0135 14000.0 85.0163 6800.0 94.914 3100.0 96.8863 3300.0 96.8918 4900.0 106.9149 3200.0 152.0359 3200.0 165.9158 2800.0 174.1812 3200.0 189.9406 3500.0 193.0272 2900.0 193.0863 8900.0 213.1932 3300.0 END IONS BEGIN IONS SCANS=1029 PEPMASS=84.9962 CHARGE=-1 COLLISION_ENERGY=0.0 55.6904 15000.0 57.9921 190000.0 68.0002 19000.0 71.1695 16000.0 85.0028 4000000.0 96.8904 24000.0 102.4156 16000.0 END IONS BEGIN IONS SCANS=1030 PEPMASS=199.0345 CHARGE=-1 COLLISION_ENERGY=0.0 56.3076 2200.0 62.9627 140000.0 70.0274 2600.0 71.0233 2600.0 80.9729 38000.0 88.5846 2200.0 90.2585 2700.0 93.0817 2500.0 95.0231 6600.0 96.8883 4100.0 105.3279 2100.0 107.9613 2300.0 111.0181 6600.0 113.0338 70000.0 114.0177 38000.0 131.0443 190000.0 131.4328 2200.0 142.5907 2400.0 149.1181 2300.0 155.2128 2400.0 199.0093 3300.0 199.0136 3900.0 199.0364 230000.0 199.0585 4300.0 199.0636 3000.0 END IONS BEGIN IONS SCANS=1031 PEPMASS=199.0359 CHARGE=-1 COLLISION_ENERGY=0.0 50.7754 2200.0 57.2418 2500.0 62.9628 480000.0 70.0285 3000.0 72.0071 4000.0 76.1173 2400.0 78.9575 5900.0 80.9731 130000.0 95.0234 7200.0 96.8889 5200.0 97.5428 2200.0 111.0187 4000.0 113.0339 73000.0 114.0177 40000.0 131.0444 170000.0 199.0368 550000.0 219.9784 2800.0 END IONS BEGIN IONS SCANS=1032 PEPMASS=104.0321 CHARGE=-1 COLLISION_ENERGY=0.0 50.4592 3300.0 51.5168 3200.0 64.3905 3000.0 64.6896 3200.0 72.0076 100000.0 74.0231 160000.0 74.2533 3300.0 96.8889 5200.0 104.0245 6500.0 104.0339 68000.0 119.3481 3300.0 123.5764 3500.0 END IONS BEGIN IONS SCANS=1033 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 52.6253 34000.0 57.992 420000.0 68.0001 42000.0 71.5175 30000.0 85.0028 9700000.0 96.8912 38000.0 104.4267 35000.0 END IONS BEGIN IONS SCANS=1034 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 420000.0 68.0 33000.0 73.8229 24000.0 79.3775 22000.0 85.0029 8700000.0 85.0135 53000.0 96.8885 38000.0 END IONS BEGIN IONS SCANS=1035 PEPMASS=103.0157 CHARGE=-1 COLLISION_ENERGY=0.0 54.669 2000.0 59.0124 100000.0 68.9768 2000.0 69.9167 2100.0 71.3515 2200.0 73.5107 2000.0 76.005 16000.0 90.3422 1800.0 96.8869 3300.0 101.5428 2000.0 103.0159 36000.0 END IONS BEGIN IONS SCANS=1036 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 56.7939 16000.0 57.992 270000.0 65.3974 15000.0 72.1391 16000.0 85.0029 4600000.0 END IONS BEGIN IONS SCANS=1037 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.5481 35000.0 57.9921 440000.0 68.0002 39000.0 85.0028 8400000.0 85.0135 62000.0 96.8866 32000.0 END IONS BEGIN IONS SCANS=1038 PEPMASS=193.0051 CHARGE=-1 COLLISION_ENERGY=0.0 52.1013 2600.0 55.6447 2600.0 57.992 4200.0 63.6358 2600.0 71.9695 3300.0 76.3884 2900.0 84.9891 5900.0 84.9921 14000.0 84.9943 12000.0 85.0028 2200000.0 85.0113 12000.0 85.0134 18000.0 90.9319 4200.0 96.888 8100.0 138.6272 3100.0 151.4468 2800.0 193.0862 13000.0 END IONS BEGIN IONS SCANS=1039 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.1953 3000.0 57.9921 9900.0 64.8861 3500.0 68.1511 3100.0 79.3014 3200.0 83.5972 3700.0 84.9922 14000.0 84.9944 10000.0 85.0029 2100000.0 85.0135 13000.0 96.8874 3100.0 133.7155 3100.0 176.076 2900.0 193.0873 9600.0 END IONS BEGIN IONS SCANS=1040 PEPMASS=211.0076 CHARGE=-1 COLLISION_ENERGY=0.0 55.3133 2100.0 59.0124 13000.0 70.868 2200.0 85.0027 230000.0 85.01 2700.0 96.889 3000.0 103.0136 9600.0 127.659 2100.0 143.9596 2100.0 205.0571 2200.0 END IONS BEGIN IONS SCANS=1041 PEPMASS=387.1133 CHARGE=-1 COLLISION_ENERGY=0.0 52.1912 2200.0 53.6291 2600.0 59.0122 17000.0 60.2758 2300.0 64.5856 2400.0 71.0122 19000.0 73.0279 14000.0 76.3107 2200.0 83.0123 2900.0 85.1774 2300.0 89.0225 18000.0 96.8897 3400.0 97.0278 11000.0 101.0223 22000.0 113.0229 9600.0 119.0338 7400.0 143.0344 2800.0 153.6735 2700.0 161.044 30000.0 170.1519 2500.0 179.054 16000.0 216.3987 2800.0 221.066 13000.0 293.647 2500.0 294.8755 2900.0 315.7929 2900.0 336.7549 2700.0 341.1085 15000.0 END IONS BEGIN IONS SCANS=1042 PEPMASS=356.1558 CHARGE=-1 COLLISION_ENERGY=0.0 51.5216 2700.0 72.8806 2900.0 81.764 2200.0 96.8895 15000.0 113.0221 3100.0 161.0442 2700.0 201.5959 3000.0 298.9921 2300.0 305.6807 2400.0 310.1502 31000.0 315.2872 2500.0 328.7332 2500.0 331.932 2400.0 348.5531 2700.0 356.1588 6900.0 END IONS BEGIN IONS SCANS=1043 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 58.3581 4000.0 72.0075 31000.0 74.0229 77000.0 74.1981 5000.0 93.0626 4700.0 94.5041 4400.0 96.8896 6500.0 100.185 5000.0 101.0497 4300.0 104.024 14000.0 104.0333 25000.0 END IONS BEGIN IONS SCANS=1044 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 270000.0 60.5518 19000.0 68.0 31000.0 85.0028 5400000.0 85.0166 23000.0 96.8871 25000.0 100.9109 17000.0 103.1173 18000.0 END IONS BEGIN IONS SCANS=1045 PEPMASS=84.9959 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 510000.0 70.8949 30000.0 84.992 71000.0 85.0028 11000000.0 85.9079 28000.0 88.2738 28000.0 96.8892 54000.0 END IONS BEGIN IONS SCANS=1046 PEPMASS=133.0126 CHARGE=-1 COLLISION_ENERGY=0.0 50.5668 3000.0 51.5223 3500.0 57.9387 2900.0 59.0124 4100.0 63.5375 3800.0 71.0124 310000.0 72.9914 57000.0 87.0074 4900.0 89.0229 32000.0 108.2971 2900.0 115.0021 470000.0 132.8667 39000.0 133.0127 100000.0 END IONS BEGIN IONS SCANS=1047 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 13000.0 67.0174 3000.0 67.8209 2100.0 69.1687 2300.0 69.8358 2800.0 85.0277 61000.0 86.7679 2500.0 87.0071 90000.0 88.5782 2100.0 101.023 3500.0 102.9474 12000.0 107.531 2200.0 111.0071 240000.0 117.5181 2500.0 129.0177 15000.0 129.2206 2000.0 131.0535 2500.0 146.9373 3100.0 147.0282 5300.0 170.9873 2700.0 173.0085 3800.0 191.019 31000.0 191.0361 4400.0 191.0539 4800.0 191.877 2300.0 END IONS BEGIN IONS SCANS=1048 PEPMASS=201.0877 CHARGE=-1 COLLISION_ENERGY=0.0 58.0282 5400.0 66.0332 8200.0 68.0491 12000.0 70.0283 5200.0 83.1708 2800.0 84.0438 27000.0 85.0023 3700.0 88.0384 8100.0 101.0704 280000.0 101.0789 4900.0 112.075 5100.0 121.0756 4500.0 123.0185 5500.0 128.0341 3900.0 129.065 260000.0 130.0491 110000.0 131.7135 3200.0 133.0125 4700.0 137.0706 10000.0 139.086 260000.0 139.0992 5300.0 139.1015 3800.0 159.4491 3100.0 174.0294 6000.0 200.9981 3500.0 201.0872 290000.0 END IONS BEGIN IONS SCANS=1049 PEPMASS=201.0866 CHARGE=-1 COLLISION_ENERGY=0.0 52.767 1900.0 52.832 2300.0 68.049 3800.0 76.7953 2400.0 84.044 8300.0 85.0028 6200.0 88.0389 3100.0 96.8851 2500.0 96.8908 3300.0 101.0702 87000.0 104.0388 2300.0 119.1847 1900.0 121.0755 1900.0 123.0184 7700.0 127.7522 2300.0 129.0652 72000.0 130.0489 32000.0 133.0128 5000.0 137.0702 2500.0 139.0862 68000.0 147.9218 2400.0 174.0301 5200.0 189.2501 2800.0 201.087 69000.0 END IONS BEGIN IONS 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PEPMASS=85.0082 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 460000.0 67.9993 25000.0 84.4901 28000.0 85.0027 9300000.0 85.0135 66000.0 94.5759 30000.0 95.2919 29000.0 96.8901 40000.0 103.6597 28000.0 END IONS BEGIN IONS SCANS=1055 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 53.551 3100.0 73.3422 3700.0 74.023 4300.0 89.5074 3300.0 91.7533 3500.0 96.887 3800.0 104.024 7400.0 109.6415 3200.0 END IONS BEGIN IONS SCANS=1056 PEPMASS=104.0313 CHARGE=-1 COLLISION_ENERGY=0.0 50.0427 2600.0 50.4535 2600.0 50.9952 2800.0 51.7713 2800.0 51.894 2700.0 52.093 2500.0 52.4576 2800.0 52.5007 3000.0 53.6884 2500.0 54.3399 2700.0 55.0764 2900.0 55.3371 2400.0 55.7733 2600.0 56.1491 3500.0 57.245 2700.0 58.2895 3200.0 58.4675 3000.0 58.5316 2600.0 58.7085 2500.0 58.7186 3000.0 59.3009 2600.0 60.0165 2500.0 60.2834 3000.0 61.197 2900.0 61.484 2600.0 61.6252 3100.0 62.6943 2400.0 63.0401 2800.0 63.3193 2500.0 63.4947 3100.0 64.0054 3400.0 64.2656 2800.0 64.4261 2700.0 64.5285 2100.0 65.0825 3000.0 65.1651 2600.0 65.8795 2900.0 66.4318 2300.0 66.5161 2700.0 66.6865 2900.0 66.7021 2500.0 66.9448 2700.0 69.3671 2500.0 69.6526 3300.0 69.7576 2900.0 72.1962 3100.0 74.2629 3100.0 74.6757 3300.0 75.7571 2900.0 76.3288 2900.0 77.1469 3300.0 77.8116 2900.0 78.3408 2900.0 79.5376 3100.0 79.5861 3400.0 81.5967 2600.0 81.6989 2700.0 83.3188 3100.0 85.5789 2600.0 92.7099 3000.0 93.9985 3000.0 96.8864 2900.0 98.3365 3300.0 99.2029 3200.0 100.1492 3100.0 100.1785 2900.0 100.3517 3400.0 100.7199 3200.0 103.473 2800.0 104.0244 6400.0 105.7854 2800.0 107.1155 2700.0 107.4771 2800.0 109.1618 2500.0 110.1083 3000.0 115.4777 2800.0 116.1932 2800.0 117.2279 2800.0 118.8697 2500.0 119.8947 2900.0 121.0725 2600.0 121.4816 2700.0 122.4177 3500.0 123.1663 3000.0 END IONS BEGIN IONS SCANS=1057 PEPMASS=84.9997 CHARGE=-1 COLLISION_ENERGY=0.0 55.191 31000.0 57.9921 370000.0 59.6902 28000.0 63.1783 28000.0 68.0002 49000.0 85.0028 8600000.0 85.0132 37000.0 94.3838 26000.0 104.1525 26000.0 END IONS BEGIN IONS 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2800.0 149.0443 8600.0 179.0549 6800.0 180.049 2800.0 289.6389 2700.0 END IONS BEGIN IONS SCANS=1066 PEPMASS=335.0593 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 2400.0 59.0126 8300.0 70.4283 2300.0 71.0124 15000.0 72.3647 2300.0 75.0075 9400.0 85.0278 16000.0 85.3025 2400.0 87.0072 8300.0 89.0234 4600.0 95.0124 3700.0 96.8904 3300.0 99.0072 5000.0 103.0021 3100.0 113.0228 47000.0 133.0123 2900.0 207.0496 3600.0 249.0607 4300.0 258.4297 2400.0 259.0893 2500.0 267.0295 3300.0 267.0717 220000.0 289.0547 24000.0 327.0394 2700.0 333.2028 2500.0 335.0602 30000.0 END IONS BEGIN IONS SCANS=1067 PEPMASS=267.0717 CHARGE=-1 COLLISION_ENERGY=0.0 53.1607 2400.0 57.0331 7600.0 59.0123 55000.0 71.0123 89000.0 72.9915 5600.0 75.007 43000.0 85.0278 110000.0 85.0354 2800.0 86.7296 2400.0 87.007 39000.0 89.0227 30000.0 91.038 3600.0 95.012 21000.0 96.8859 4900.0 96.8922 5200.0 99.007 27000.0 101.0229 4700.0 103.0019 11000.0 113.0228 230000.0 113.0328 3600.0 113.0339 2900.0 115.0018 4200.0 117.0172 9700.0 123.3155 2600.0 124.1298 2500.0 129.0172 10000.0 131.0329 4100.0 133.874 2700.0 148.4605 2300.0 149.0443 4300.0 157.0115 4500.0 159.5755 2600.0 175.0229 12000.0 205.0705 3900.0 207.0512 13000.0 249.0608 34000.0 267.0714 590000.0 267.1308 3700.0 END IONS BEGIN IONS SCANS=1068 PEPMASS=133.012 CHARGE=-1 COLLISION_ENERGY=0.0 71.0123 70000.0 72.9914 15000.0 75.2918 2000.0 89.0223 10000.0 96.8905 3300.0 115.0021 120000.0 122.8312 2000.0 132.8661 43000.0 133.013 26000.0 133.0406 2300.0 END IONS BEGIN IONS SCANS=1069 PEPMASS=191.0188 CHARGE=-1 COLLISION_ENERGY=0.0 56.046 2500.0 57.0333 110000.0 59.0123 6300.0 67.0172 23000.0 85.0279 730000.0 86.9964 5200.0 86.9985 5200.0 87.0072 1200000.0 90.1218 3500.0 96.8866 3900.0 101.0227 13000.0 102.9471 7100.0 103.0386 8400.0 110.9914 16000.0 110.9948 21000.0 111.0073 3300000.0 111.0235 22000.0 114.6205 3300.0 117.0176 4200.0 121.4828 2700.0 125.5876 2700.0 129.0175 150000.0 129.0537 3600.0 130.9968 11000.0 146.9376 3500.0 147.0278 20000.0 154.9967 25000.0 163.8498 3000.0 170.9863 3000.0 173.0074 43000.0 191.0187 370000.0 191.0543 4800.0 END IONS BEGIN IONS SCANS=1070 PEPMASS=192.021 CHARGE=-1 COLLISION_ENERGY=0.0 55.0769 2700.0 57.033 4000.0 58.0366 3900.0 64.8553 2500.0 73.4413 2300.0 78.5721 2200.0 81.4437 1900.0 83.0135 2000.0 84.8695 2100.0 85.028 17000.0 86.0312 37000.0 87.007 43000.0 88.0104 42000.0 96.8868 2900.0 103.9262 2100.0 111.0072 45000.0 112.0105 210000.0 112.0978 2200.0 114.2131 2200.0 122.2802 2700.0 129.0177 2900.0 130.0213 8600.0 155.9996 2900.0 156.1115 2500.0 174.0117 6800.0 192.021 28000.0 END IONS BEGIN IONS SCANS=1071 PEPMASS=205.0343 CHARGE=-1 COLLISION_ENERGY=0.0 51.5135 2300.0 52.9226 2100.0 57.0331 2900.0 71.0487 4400.0 71.2242 2200.0 81.0331 3100.0 86.0541 2000.0 89.5556 2100.0 90.7664 2400.0 92.0842 2300.0 96.8912 2900.0 99.0432 46000.0 101.0227 45000.0 115.0386 25000.0 125.0225 150000.0 143.0339 29000.0 145.0126 88000.0 187.0236 54000.0 189.3795 2200.0 205.0345 75000.0 END IONS BEGIN IONS 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87.0069 7800.0 89.0226 78000.0 96.8882 12000.0 115.002 1100000.0 132.8659 38000.0 133.0125 230000.0 END IONS BEGIN IONS SCANS=1075 PEPMASS=351.1013 CHARGE=-1 COLLISION_ENERGY=0.0 64.7675 2500.0 68.5647 2500.0 72.0074 25000.0 89.034 250000.0 89.0406 5100.0 89.0418 3200.0 109.331 2700.0 115.013 23000.0 119.1837 2600.0 132.0397 260000.0 150.2544 2600.0 158.019 3000.0 175.0458 150000.0 300.503 2500.0 END IONS BEGIN IONS SCANS=1076 PEPMASS=267.0707 CHARGE=-1 COLLISION_ENERGY=0.0 50.3344 2500.0 57.0331 4400.0 59.0122 27000.0 71.0122 45000.0 72.9918 2500.0 75.007 21000.0 85.0278 56000.0 87.007 20000.0 87.089 2500.0 89.0225 18000.0 91.038 2200.0 95.0119 12000.0 96.8882 3600.0 99.0066 13000.0 101.0229 2900.0 103.0017 7100.0 106.7391 2700.0 113.0227 96000.0 115.002 4200.0 117.0174 7400.0 129.0167 5200.0 157.0107 2600.0 207.0493 3400.0 249.0607 11000.0 267.0714 200000.0 267.1128 3300.0 END IONS BEGIN IONS SCANS=1077 PEPMASS=111.0068 CHARGE=-1 COLLISION_ENERGY=0.0 65.9968 3900.0 66.3074 2000.0 67.0173 12000.0 67.5347 2000.0 72.7605 4400.0 79.9129 2000.0 82.2832 1900.0 91.001 2200.0 96.89 14000.0 111.0069 24000.0 111.0181 2200.0 END IONS BEGIN IONS SCANS=1078 PEPMASS=115.0015 CHARGE=-1 COLLISION_ENERGY=0.0 54.035 2000.0 62.6509 2100.0 68.3737 2400.0 71.0123 26000.0 71.0487 2700.0 72.0073 3400.0 73.0396 3000.0 74.1151 2000.0 86.0368 2100.0 88.0332 2500.0 89.013 2400.0 91.1273 1800.0 96.8884 3200.0 104.1961 2100.0 114.9326 2300.0 115.0025 4000.0 115.0292 4400.0 END IONS BEGIN IONS SCANS=1079 PEPMASS=132.0395 CHARGE=-1 COLLISION_ENERGY=0.0 52.1151 2200.0 66.172 2200.0 71.0122 2400.0 71.9983 2300.0 72.0075 130000.0 89.034 420000.0 115.0022 4900.0 115.0131 2500.0 132.8655 10000.0 146.9914 2300.0 END IONS BEGIN IONS SCANS=1080 PEPMASS=89.0336 CHARGE=-1 COLLISION_ENERGY=0.0 62.0022 3100.0 72.0017 2300.0 72.0026 3000.0 72.0075 210000.0 73.0515 2400.0 89.0127 48000.0 89.023 7800.0 89.0339 42000.0 94.8422 2000.0 96.8857 6300.0 96.8922 3600.0 END IONS BEGIN IONS SCANS=1081 PEPMASS=175.0453 CHARGE=-1 COLLISION_ENERGY=0.0 59.0235 2800.0 59.2113 2100.0 61.2441 2300.0 69.3225 2400.0 69.5202 2500.0 71.0237 4100.0 72.0074 150000.0 89.0228 8300.0 89.0341 1400000.0 89.0457 9100.0 90.8226 2300.0 114.1562 2300.0 115.013 73000.0 117.9627 2300.0 118.9641 2000.0 132.0397 320000.0 146.9595 18000.0 174.9542 2600.0 175.381 2800.0 188.2282 2700.0 END IONS BEGIN IONS SCANS=1082 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 210000.0 62.2093 14000.0 85.0029 4200000.0 96.8861 33000.0 96.8919 37000.0 END IONS BEGIN IONS SCANS=1083 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 51.5342 29000.0 57.992 450000.0 69.8049 28000.0 84.461 30000.0 85.0027 9100000.0 88.9933 27000.0 93.9345 27000.0 96.888 39000.0 END IONS BEGIN IONS SCANS=1084 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 53.3398 28000.0 57.1498 24000.0 57.9922 490000.0 68.0 48000.0 85.0029 9600000.0 96.8868 40000.0 END IONS BEGIN IONS SCANS=1085 PEPMASS=104.0271 CHARGE=-1 COLLISION_ENERGY=0.0 55.6257 5100.0 56.6622 4400.0 58.3264 5300.0 60.0156 8000.0 62.0725 5400.0 62.3389 4800.0 63.4453 4800.0 63.8995 5200.0 66.6324 4400.0 74.0235 6000.0 74.1526 4600.0 75.5876 4500.0 82.4654 4900.0 96.8908 9000.0 104.024 7900.0 116.0605 5400.0 END IONS BEGIN IONS SCANS=1086 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 59.4678 2900.0 59.6222 3000.0 62.5027 3000.0 63.4964 3300.0 67.5607 3000.0 73.1012 3400.0 74.4178 3000.0 96.8892 6800.0 99.9357 3100.0 104.0234 5100.0 END IONS BEGIN IONS SCANS=1087 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 52.8748 2200.0 59.0126 7200.0 61.1397 1900.0 61.6823 1900.0 71.3131 2500.0 79.3567 2100.0 85.0028 200000.0 95.8351 2200.0 96.8917 2400.0 103.0138 6200.0 172.6291 2300.0 END IONS BEGIN IONS SCANS=1088 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 52.6886 27000.0 55.6007 24000.0 57.2006 31000.0 57.992 480000.0 66.642 29000.0 85.0028 9600000.0 88.4276 25000.0 96.8852 33000.0 96.8913 35000.0 100.1939 28000.0 END IONS BEGIN IONS SCANS=1089 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.6397 3200.0 57.9918 4900.0 84.9922 13000.0 84.9945 14000.0 85.0029 2300000.0 85.0134 13000.0 96.8903 7100.0 192.9955 3000.0 193.0865 5800.0 205.906 3100.0 END IONS BEGIN IONS SCANS=1090 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 53.2797 2100.0 53.9865 2000.0 58.9761 2100.0 59.0079 2600.0 59.0125 160000.0 70.6754 2500.0 76.0049 14000.0 78.5144 2200.0 83.7462 2000.0 85.0646 2400.0 88.0051 2400.0 96.8873 2000.0 99.3945 2200.0 103.016 39000.0 103.0279 3300.0 103.0389 2300.0 END IONS BEGIN IONS SCANS=1091 PEPMASS=193.0047 CHARGE=-1 COLLISION_ENERGY=0.0 51.5254 3300.0 57.9921 6900.0 61.0774 3000.0 64.3578 3000.0 75.1596 3000.0 84.9891 4300.0 84.9921 13000.0 84.9942 8600.0 85.0027 1900000.0 96.8917 2900.0 129.6252 2600.0 134.7213 2800.0 150.9782 2900.0 192.9954 4200.0 193.0857 5800.0 206.9755 2600.0 END IONS BEGIN IONS SCANS=1092 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 540000.0 60.172 34000.0 85.0029 11000000.0 END IONS BEGIN IONS 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520000.0 68.0003 80000.0 85.0028 10000000.0 85.0134 59000.0 86.2036 33000.0 102.4756 31000.0 END IONS BEGIN IONS SCANS=1097 PEPMASS=195.0497 CHARGE=-1 COLLISION_ENERGY=0.0 51.0341 1900.0 55.3847 2500.0 57.0332 5600.0 59.0123 23000.0 62.7564 2100.0 71.0123 12000.0 72.9916 3400.0 75.0071 130000.0 79.988 2100.0 83.2738 2500.0 85.0029 6500.0 85.0279 17000.0 87.007 20000.0 89.0227 11000.0 96.8876 6400.0 99.007 16000.0 101.0234 3800.0 111.0071 6700.0 126.4439 2400.0 129.0177 58000.0 130.9915 5100.0 141.0176 7900.0 159.0282 27000.0 177.0395 8600.0 194.9042 2800.0 195.05 160000.0 212.6842 2100.0 END IONS BEGIN IONS SCANS=1098 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 51.5385 4700.0 55.1769 5400.0 56.7616 5000.0 60.6392 7200.0 96.8868 5200.0 96.8921 6000.0 104.0236 14000.0 104.7061 5100.0 115.2459 5900.0 END IONS BEGIN IONS SCANS=1099 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.6891 24000.0 57.992 430000.0 80.3379 22000.0 80.422 21000.0 85.0028 8200000.0 85.0133 47000.0 96.8905 31000.0 104.5518 25000.0 END IONS BEGIN IONS SCANS=1100 PEPMASS=337.0779 CHARGE=-1 COLLISION_ENERGY=0.0 52.2558 3000.0 53.8852 2400.0 68.9965 3200.0 71.0122 4800.0 73.0277 2700.0 82.7988 2300.0 83.0123 3100.0 85.0279 16000.0 87.0071 2800.0 96.8901 2900.0 99.0071 12000.0 106.9517 2100.0 111.0077 3400.0 113.0226 19000.0 113.9943 31000.0 115.0021 19000.0 127.0023 7100.0 129.0175 7500.0 151.235 2100.0 157.0134 12000.0 169.0126 3900.0 174.0155 49000.0 227.848 2600.0 277.0563 64000.0 337.0782 340000.0 END IONS BEGIN IONS SCANS=1101 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.5533 3600.0 60.0156 4500.0 71.0456 3900.0 71.9807 6200.0 77.5939 4100.0 80.3386 3800.0 96.8857 5000.0 96.891 8700.0 104.0242 9600.0 END IONS BEGIN IONS SCANS=1102 PEPMASS=245.0251 CHARGE=-1 COLLISION_ENERGY=0.0 59.1555 2200.0 62.958 140000.0 78.9516 16000.0 80.9623 6200.0 80.9672 250000.0 80.9713 2600.0 80.9723 5500.0 86.9382 2800.0 96.8958 2900.0 128.9852 2600.0 145.6628 2500.0 152.9836 2700.0 180.9753 13000.0 204.9747 12000.0 206.2928 2700.0 216.9758 2900.0 224.9787 6400.0 244.9674 4000.0 244.9858 5700.0 245.025 210000.0 246.0287 8200.0 END IONS BEGIN IONS SCANS=1103 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 6200.0 66.9698 2600.0 73.3303 2700.0 84.9921 14000.0 84.9944 14000.0 85.0028 2200000.0 85.0114 11000.0 85.0134 17000.0 90.933 2800.0 96.8869 6200.0 96.8928 3800.0 99.2729 3100.0 113.0229 2800.0 115.4569 2700.0 131.0331 3600.0 133.4487 2800.0 176.3066 2900.0 193.0875 8200.0 END IONS BEGIN IONS SCANS=1104 PEPMASS=84.9981 CHARGE=-1 COLLISION_ENERGY=0.0 51.4477 14000.0 51.5212 15000.0 57.992 240000.0 65.7016 16000.0 73.1273 27000.0 75.3595 14000.0 84.992 33000.0 85.0027 4700000.0 96.8863 59000.0 96.8929 33000.0 101.9447 14000.0 END IONS BEGIN IONS SCANS=1105 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 530000.0 63.2736 28000.0 68.0001 69000.0 84.9921 73000.0 85.0028 10000000.0 88.4393 30000.0 96.8918 33000.0 END IONS BEGIN IONS SCANS=1106 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5357 2600.0 51.7695 2500.0 54.8092 1800.0 59.0124 140000.0 60.483 2300.0 71.9803 2700.0 74.9117 2300.0 76.005 17000.0 85.1219 2000.0 91.8153 2200.0 96.8882 2800.0 103.016 36000.0 103.0284 1900.0 103.7801 2000.0 END IONS BEGIN IONS SCANS=1107 PEPMASS=85.0057 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 460000.0 61.229 28000.0 70.2482 28000.0 70.6698 28000.0 72.6291 29000.0 74.1879 41000.0 84.9922 58000.0 85.0028 9200000.0 96.891 40000.0 END IONS BEGIN IONS SCANS=1108 PEPMASS=193.0048 CHARGE=-1 COLLISION_ENERGY=0.0 51.5291 3000.0 57.9919 5500.0 71.4583 2800.0 84.9891 4700.0 84.9921 15000.0 84.9942 8400.0 85.0028 2100000.0 85.0134 13000.0 90.9323 3700.0 96.8882 6200.0 102.8161 2900.0 105.6229 3300.0 157.2614 2600.0 158.0176 2500.0 192.9985 3600.0 193.0863 8400.0 END IONS BEGIN IONS SCANS=1109 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 50.8403 25000.0 57.9921 450000.0 58.2671 24000.0 65.4606 22000.0 69.2886 28000.0 85.0028 7500000.0 87.103 23000.0 96.8883 25000.0 END IONS 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96.889 6900.0 104.0237 9500.0 115.7446 3500.0 END IONS BEGIN IONS SCANS=1115 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 62.143 4400.0 71.9917 5200.0 80.651 4000.0 96.8869 6000.0 96.8921 4100.0 97.2172 4100.0 104.0241 9200.0 END IONS BEGIN IONS SCANS=1116 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 54.0475 26000.0 57.3846 24000.0 57.992 440000.0 63.7753 28000.0 71.9644 29000.0 85.0027 8500000.0 85.0134 64000.0 87.1753 25000.0 88.3061 27000.0 96.8882 32000.0 END IONS BEGIN IONS SCANS=1117 PEPMASS=195.0493 CHARGE=-1 COLLISION_ENERGY=0.0 55.0594 2000.0 57.0332 5000.0 59.0122 14000.0 67.0701 2700.0 71.0123 9000.0 72.991 2400.0 75.0071 70000.0 85.0024 3400.0 85.0277 10000.0 87.0069 13000.0 89.0227 5700.0 96.8858 2300.0 99.0074 7300.0 129.0174 37000.0 130.991 8800.0 131.0803 2100.0 136.3141 2200.0 141.017 4400.0 144.3819 2300.0 159.0284 14000.0 177.0385 4900.0 194.9049 4600.0 195.0502 97000.0 END IONS BEGIN IONS SCANS=1118 PEPMASS=104.0272 CHARGE=-1 COLLISION_ENERGY=0.0 53.5551 3600.0 53.8139 3100.0 65.1349 3700.0 66.6428 3600.0 77.792 3400.0 83.0135 3600.0 96.8884 6400.0 100.9436 3100.0 103.0805 3500.0 104.0236 7600.0 END IONS BEGIN IONS SCANS=1119 PEPMASS=245.043 CHARGE=-1 COLLISION_ENERGY=0.0 55.7776 3900.0 62.9627 130000.0 63.0826 4100.0 64.14 3500.0 75.0193 3600.0 75.1586 4000.0 78.9575 330000.0 80.973 230000.0 85.7779 4100.0 96.8872 5300.0 96.9677 23000.0 150.9783 5800.0 152.9944 810000.0 171.0046 290000.0 245.0424 1200000.0 END IONS BEGIN IONS SCANS=1120 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 51.5368 2300.0 52.1313 1900.0 53.014 1900.0 59.1836 1900.0 71.0123 48000.0 72.9912 9800.0 73.5316 2800.0 78.6609 1800.0 78.7548 2100.0 89.0226 3200.0 96.8915 3800.0 98.2256 2400.0 115.002 68000.0 129.6712 2200.0 132.8663 96000.0 133.0125 16000.0 147.8857 2000.0 END IONS BEGIN IONS SCANS=1121 PEPMASS=245.0419 CHARGE=-1 COLLISION_ENERGY=0.0 62.9629 17000.0 78.9574 95000.0 80.9731 34000.0 96.9675 5100.0 131.4519 2600.0 147.8392 2300.0 150.9788 2800.0 152.9762 3000.0 152.9944 240000.0 153.0094 5100.0 153.0124 3500.0 171.0046 91000.0 203.8705 2500.0 245.0425 290000.0 END IONS BEGIN IONS SCANS=1122 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 53.4027 2300.0 54.2107 2400.0 54.8668 2400.0 57.9921 5200.0 66.3582 2500.0 69.4983 2800.0 77.7437 2700.0 84.9921 16000.0 84.9943 9700.0 85.0028 2100000.0 85.0113 14000.0 85.0134 14000.0 96.8877 5100.0 172.0341 2600.0 175.8672 3100.0 192.9966 2600.0 193.0864 4600.0 END IONS BEGIN IONS SCANS=1123 PEPMASS=102.0079 CHARGE=-1 COLLISION_ENERGY=0.0 50.4842 2300.0 51.5147 2400.0 64.0728 1900.0 75.7411 2000.0 87.6293 2000.0 96.8908 2200.0 102.009 2800.0 111.8484 2300.0 116.9199 3000.0 END IONS BEGIN IONS SCANS=1124 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.2063 28000.0 57.992 460000.0 68.0 37000.0 74.847 28000.0 75.2065 34000.0 85.0028 9800000.0 85.8935 28000.0 86.3228 31000.0 96.8898 41000.0 END IONS BEGIN IONS SCANS=1125 PEPMASS=85.0119 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 440000.0 71.3348 29000.0 79.5828 35000.0 85.0028 8400000.0 96.889 37000.0 END IONS BEGIN IONS SCANS=1126 PEPMASS=84.9939 CHARGE=-1 COLLISION_ENERGY=0.0 51.1665 33000.0 57.992 540000.0 63.8385 30000.0 71.4711 35000.0 85.0029 11000000.0 93.6792 29000.0 94.2708 31000.0 96.888 43000.0 END IONS BEGIN IONS SCANS=1127 PEPMASS=193.0049 CHARGE=-1 COLLISION_ENERGY=0.0 51.1516 2500.0 52.4598 2700.0 52.7033 3200.0 57.992 6300.0 84.9921 13000.0 84.9946 11000.0 85.0029 2100000.0 85.0134 15000.0 90.9324 4000.0 96.8892 5700.0 144.0108 3500.0 180.3026 2600.0 193.0874 6100.0 END IONS BEGIN IONS SCANS=1128 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 52.1422 34000.0 57.992 570000.0 62.3874 26000.0 68.0002 44000.0 73.2359 27000.0 85.0029 11000000.0 85.0135 57000.0 85.9513 32000.0 END IONS BEGIN IONS SCANS=1129 PEPMASS=192.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.8883 2600.0 57.992 8300.0 62.0941 2600.0 63.0773 2800.0 84.9921 14000.0 84.9944 10000.0 85.0028 2200000.0 85.0134 16000.0 90.932 4100.0 96.8893 6700.0 192.9975 4400.0 193.0856 7200.0 END IONS BEGIN IONS SCANS=1130 PEPMASS=84.9999 CHARGE=-1 COLLISION_ENERGY=0.0 54.2644 30000.0 57.992 510000.0 60.782 31000.0 63.84 26000.0 64.8319 25000.0 65.6777 25000.0 67.5023 29000.0 71.6859 27000.0 76.6545 27000.0 85.0028 9500000.0 85.0134 53000.0 87.0638 30000.0 94.0681 27000.0 96.8885 50000.0 99.7615 33000.0 END IONS BEGIN IONS SCANS=1131 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 50.0724 2100.0 55.2358 2100.0 59.008 3100.0 59.0124 140000.0 76.0052 14000.0 78.7391 2100.0 88.0048 2000.0 96.889 4100.0 100.3329 2000.0 103.0161 26000.0 103.0287 3200.0 END IONS BEGIN IONS SCANS=1132 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 66.5698 4100.0 91.7264 3900.0 93.5384 3600.0 96.8903 4000.0 104.0238 13000.0 END IONS BEGIN IONS SCANS=1133 PEPMASS=85.0117 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 380000.0 68.0 32000.0 71.0995 21000.0 72.2015 23000.0 85.0028 8000000.0 85.0133 43000.0 95.0938 22000.0 96.8898 28000.0 98.4325 22000.0 101.5749 24000.0 END IONS BEGIN IONS 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89.0228 2200.0 96.8887 2700.0 103.366 2300.0 108.9793 2000.0 115.002 52000.0 115.0143 2200.0 123.7297 2000.0 132.8661 260000.0 133.0125 12000.0 134.0569 2200.0 138.5853 2100.0 END IONS BEGIN IONS SCANS=1139 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 53.0117 3400.0 64.9761 4300.0 76.4195 3800.0 86.9734 3700.0 96.8907 3900.0 104.0241 5300.0 END IONS BEGIN IONS SCANS=1140 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.5161 2400.0 54.9415 2100.0 59.0124 100000.0 68.4341 2500.0 75.0484 2100.0 76.0051 9000.0 96.891 3900.0 103.0159 17000.0 117.9165 2200.0 END IONS BEGIN IONS SCANS=1141 PEPMASS=84.9974 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 230000.0 59.2112 16000.0 64.3171 13000.0 85.0029 4300000.0 91.4521 15000.0 96.8891 22000.0 98.1244 17000.0 END IONS BEGIN IONS SCANS=1142 PEPMASS=245.0251 CHARGE=-1 COLLISION_ENERGY=0.0 56.0032 2200.0 62.9532 3300.0 62.958 210000.0 65.0262 2600.0 78.9517 40000.0 80.9672 490000.0 87.108 2400.0 89.5183 2300.0 90.6731 2200.0 96.8942 2800.0 99.9168 3200.0 100.185 2500.0 176.9829 3300.0 180.9752 11000.0 181.0574 5700.0 204.9747 10000.0 204.9927 2800.0 224.9806 3700.0 227.015 4500.0 245.0251 280000.0 246.0292 12000.0 END IONS BEGIN IONS SCANS=1143 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.338 3400.0 51.5199 3800.0 57.9921 6700.0 60.4638 2700.0 84.9921 15000.0 84.9947 8600.0 85.0029 2200000.0 85.0134 14000.0 96.8881 5700.0 122.2174 3500.0 146.9221 2900.0 185.2155 2600.0 192.9961 3900.0 193.0876 4900.0 END IONS BEGIN IONS SCANS=1144 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 50.3289 4400.0 51.1171 3800.0 51.5406 3300.0 60.1913 3700.0 83.2631 3700.0 94.2708 4300.0 96.8887 5100.0 104.0244 7700.0 121.8596 3500.0 END IONS BEGIN IONS SCANS=1145 PEPMASS=84.9999 CHARGE=-1 COLLISION_ENERGY=0.0 56.3862 23000.0 57.992 360000.0 58.8814 29000.0 78.8082 28000.0 81.87 28000.0 85.0027 8000000.0 96.8909 38000.0 99.3602 33000.0 END IONS BEGIN IONS SCANS=1146 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 550000.0 63.7969 27000.0 68.0002 55000.0 79.0948 31000.0 85.0028 10000000.0 96.8872 32000.0 END IONS BEGIN IONS SCANS=1147 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 220000.0 68.0004 21000.0 81.9678 16000.0 85.0028 4100000.0 END IONS BEGIN IONS SCANS=1148 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 52.3263 4100.0 54.5552 3600.0 68.4783 4000.0 77.1312 4300.0 90.9928 4000.0 96.8902 4400.0 102.2823 4600.0 104.0237 11000.0 112.7509 4300.0 END IONS BEGIN IONS SCANS=1149 PEPMASS=85.0058 CHARGE=-1 COLLISION_ENERGY=0.0 50.3632 20000.0 56.5269 20000.0 57.9922 350000.0 62.2019 22000.0 63.0137 21000.0 68.0003 32000.0 84.9924 37000.0 85.0028 7600000.0 85.0135 44000.0 96.2321 22000.0 96.8908 27000.0 END IONS BEGIN IONS SCANS=1150 PEPMASS=103.013 CHARGE=-1 COLLISION_ENERGY=0.0 51.02 2100.0 52.6472 1800.0 59.0125 170000.0 68.7433 2100.0 70.6294 2000.0 70.8527 2100.0 73.297 2000.0 76.0048 14000.0 92.7215 2100.0 96.8906 3000.0 103.0162 28000.0 103.0287 2300.0 119.718 2400.0 END IONS BEGIN IONS SCANS=1151 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159.0285 23000.0 162.8111 2100.0 177.0394 6000.0 194.8667 2300.0 195.0499 130000.0 END IONS BEGIN IONS SCANS=1154 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 420000.0 60.399 21000.0 83.924 23000.0 84.9891 29000.0 85.0028 8300000.0 END IONS BEGIN IONS SCANS=1155 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 60.0155 4500.0 96.8879 6700.0 97.2195 4000.0 104.0241 8300.0 106.3116 4100.0 112.2667 3900.0 121.7576 3500.0 124.5874 3700.0 END IONS BEGIN IONS SCANS=1156 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 5600.0 65.483 2600.0 67.0616 2100.0 78.6862 2500.0 85.0028 1300000.0 85.0134 9100.0 96.892 2400.0 110.3769 2600.0 123.0406 2600.0 129.3816 2900.0 193.0864 7400.0 END IONS BEGIN IONS SCANS=1157 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 200000.0 68.0 15000.0 75.6878 12000.0 85.0027 3800000.0 96.888 33000.0 END IONS BEGIN IONS SCANS=1158 PEPMASS=245.0419 CHARGE=-1 COLLISION_ENERGY=0.0 61.3187 2300.0 61.9193 2600.0 62.9628 130000.0 73.815 2300.0 75.7815 2200.0 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68.1067 2500.0 78.0565 2600.0 84.9921 14000.0 84.9943 14000.0 85.0028 2000000.0 85.0113 11000.0 85.0134 16000.0 86.7258 2500.0 90.932 4100.0 94.8677 2400.0 96.8883 7400.0 107.5218 2800.0 119.9874 2400.0 147.6152 2400.0 185.8103 2500.0 193.0858 11000.0 END IONS BEGIN IONS SCANS=1163 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 380000.0 59.6282 22000.0 60.9903 21000.0 69.6623 20000.0 77.6577 20000.0 84.9921 48000.0 85.0028 7200000.0 88.79 22000.0 88.8072 21000.0 96.8904 41000.0 99.788 19000.0 END IONS BEGIN IONS SCANS=1164 PEPMASS=85.0118 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 290000.0 67.9998 21000.0 78.1229 24000.0 85.0027 6400000.0 86.5506 19000.0 96.8861 22000.0 96.8917 37000.0 END IONS BEGIN IONS SCANS=1165 PEPMASS=103.0129 CHARGE=-1 COLLISION_ENERGY=0.0 57.4696 2100.0 59.0124 120000.0 76.0047 10000.0 96.8907 2900.0 103.0158 25000.0 END IONS BEGIN IONS SCANS=1166 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 55.4754 2800.0 57.9921 4600.0 66.5232 2600.0 70.05 2100.0 71.9017 2500.0 84.9921 11000.0 84.9944 5900.0 85.0028 1600000.0 85.0113 9000.0 85.0134 10000.0 85.0165 4500.0 96.8891 4100.0 115.0725 2600.0 118.317 2500.0 128.9684 2400.0 145.1192 2500.0 165.237 2300.0 193.0866 11000.0 END IONS BEGIN IONS SCANS=1167 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 430000.0 63.9394 31000.0 68.0001 36000.0 84.8131 32000.0 84.9921 73000.0 85.0027 9000000.0 END IONS BEGIN IONS SCANS=1168 PEPMASS=211.0077 CHARGE=-1 COLLISION_ENERGY=0.0 59.0126 10000.0 64.2687 2300.0 65.5836 2200.0 68.5048 2300.0 85.0027 270000.0 87.3 2000.0 96.8905 2500.0 100.0876 2200.0 103.0132 7000.0 109.9109 2200.0 139.8961 4300.0 156.2488 2100.0 END IONS BEGIN IONS SCANS=1169 PEPMASS=85.0001 CHARGE=-1 COLLISION_ENERGY=0.0 51.5314 23000.0 55.1169 25000.0 57.3203 21000.0 57.9921 350000.0 67.9999 30000.0 75.2508 26000.0 82.5255 26000.0 85.0028 7000000.0 90.8985 23000.0 103.8501 23000.0 END IONS BEGIN IONS SCANS=1170 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 370000.0 60.1716 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67.9579 21000.0 79.5004 21000.0 84.9922 36000.0 85.0028 6200000.0 93.6225 21000.0 96.8883 35000.0 END IONS BEGIN IONS SCANS=1182 PEPMASS=103.0131 CHARGE=-1 COLLISION_ENERGY=0.0 59.0124 160000.0 76.0053 12000.0 77.5921 2800.0 85.1506 2100.0 96.8894 3600.0 103.0159 27000.0 103.0287 3700.0 110.4339 1800.0 111.457 2000.0 117.2189 2300.0 END IONS BEGIN IONS SCANS=1183 PEPMASS=84.9955 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 340000.0 59.5614 28000.0 61.9312 31000.0 71.9501 27000.0 85.0028 7000000.0 85.0134 46000.0 96.8909 31000.0 97.4771 23000.0 103.1228 26000.0 END IONS BEGIN IONS SCANS=1184 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 4600.0 78.8151 2700.0 83.6662 2300.0 84.9921 8900.0 85.0029 1200000.0 85.0135 7200.0 87.089 2400.0 87.5378 2200.0 88.0917 2300.0 90.9322 3200.0 96.8894 5800.0 126.3684 2300.0 167.0915 2300.0 177.0975 2300.0 192.9959 2400.0 193.0863 8000.0 199.4471 2200.0 END IONS BEGIN IONS SCANS=1185 PEPMASS=193.005 CHARGE=-1 COLLISION_ENERGY=0.0 54.0028 2500.0 57.9919 5800.0 68.6149 2300.0 69.8811 2400.0 76.6753 2500.0 84.9921 13000.0 84.9944 8200.0 85.0028 1900000.0 85.0134 13000.0 85.0195 3800.0 92.4712 2600.0 96.209 3000.0 96.562 2600.0 98.048 2400.0 155.0588 2500.0 193.085 7000.0 END IONS BEGIN IONS SCANS=1186 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 51.4948 3600.0 53.667 3600.0 54.9136 3200.0 55.8895 3000.0 56.0269 3100.0 56.1849 3500.0 60.0158 4500.0 64.0056 3200.0 66.0289 3100.0 75.7672 3700.0 77.8271 3900.0 78.531 4400.0 104.0238 5200.0 115.4259 3600.0 END IONS BEGIN IONS SCANS=1187 PEPMASS=211.0079 CHARGE=-1 COLLISION_ENERGY=0.0 59.0125 7800.0 63.5831 2300.0 85.0027 210000.0 85.01 2900.0 85.8719 2100.0 87.0975 2100.0 95.0967 2200.0 96.8909 2300.0 103.0134 6500.0 139.895 2600.0 158.6264 2200.0 178.7452 2400.0 END IONS BEGIN IONS SCANS=1188 PEPMASS=85.0059 CHARGE=-1 COLLISION_ENERGY=0.0 51.5318 26000.0 54.4657 24000.0 57.9921 450000.0 68.0001 30000.0 73.0176 21000.0 82.7302 21000.0 85.0028 8500000.0 85.0166 26000.0 96.8883 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BEGIN IONS SCANS=1206 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 390000.0 62.4722 23000.0 64.6445 25000.0 72.276 24000.0 74.2029 24000.0 85.0028 7400000.0 96.8882 43000.0 END IONS BEGIN IONS SCANS=1207 PEPMASS=193.0052 CHARGE=-1 COLLISION_ENERGY=0.0 51.5289 3400.0 57.992 7800.0 60.4757 3100.0 68.679 2800.0 75.8913 2600.0 84.992 14000.0 85.0028 2000000.0 85.0134 14000.0 90.9318 2900.0 96.889 7200.0 98.6945 3200.0 193.0855 8600.0 END IONS BEGIN IONS SCANS=1208 PEPMASS=84.9982 CHARGE=-1 COLLISION_ENERGY=0.0 51.5341 24000.0 57.992 390000.0 68.0 29000.0 84.9922 43000.0 85.0027 7400000.0 96.8894 29000.0 100.2635 21000.0 END IONS BEGIN IONS SCANS=1209 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 7900.0 58.4334 3300.0 58.9542 3100.0 84.9921 17000.0 84.9943 9700.0 85.0028 2400000.0 96.8893 7600.0 114.0049 3000.0 150.2766 3300.0 156.4344 3700.0 193.0861 9200.0 END IONS BEGIN IONS SCANS=1210 PEPMASS=96.9609 CHARGE=-1 COLLISION_ENERGY=0.0 51.5446 2300.0 57.277 2000.0 62.6371 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3300.0 END IONS BEGIN IONS SCANS=1214 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 54.2223 3200.0 73.2102 3500.0 88.131 3200.0 96.8905 4800.0 104.024 5500.0 END IONS BEGIN IONS SCANS=1215 PEPMASS=104.0294 CHARGE=-1 COLLISION_ENERGY=0.0 93.7773 3300.0 104.0238 6300.0 108.3047 3300.0 END IONS BEGIN IONS SCANS=1216 PEPMASS=169.9798 CHARGE=-1 COLLISION_ENERGY=0.0 51.5233 2400.0 59.9532 2200.0 61.9867 11000.0 65.0129 2400.0 84.992 3100.0 85.0027 470000.0 96.8881 3700.0 97.7085 2200.0 137.548 2000.0 139.9399 2100.0 150.6092 2100.0 END IONS BEGIN IONS SCANS=1217 PEPMASS=192.9978 CHARGE=-1 COLLISION_ENERGY=0.0 50.0523 2500.0 55.6618 2600.0 57.9921 9600.0 58.0695 2900.0 76.6301 3000.0 85.0029 2100000.0 85.0134 14000.0 90.6856 2500.0 96.8858 3400.0 96.8912 3200.0 101.4343 3000.0 108.429 3200.0 111.0066 3000.0 115.2192 2900.0 174.0505 2900.0 184.7992 2800.0 193.0865 11000.0 END IONS BEGIN IONS SCANS=1218 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 52.8939 18000.0 53.284 17000.0 57.9921 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104.0239 9200.0 117.1146 2600.0 122.1139 2600.0 END IONS BEGIN IONS SCANS=1229 PEPMASS=85.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 410000.0 64.4559 22000.0 72.4378 20000.0 85.0028 8100000.0 85.0134 62000.0 96.8888 40000.0 END IONS BEGIN IONS SCANS=1230 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 53.9102 8600.0 57.992 170000.0 61.1972 9200.0 62.2437 10000.0 70.0065 9700.0 85.0027 3200000.0 96.8885 18000.0 END IONS BEGIN IONS SCANS=1231 PEPMASS=133.0127 CHARGE=-1 COLLISION_ENERGY=0.0 53.7328 2100.0 58.4605 2200.0 67.4636 2700.0 71.0066 2700.0 71.0124 180000.0 71.0173 4200.0 72.9914 36000.0 87.0076 3000.0 88.0322 2000.0 89.0229 21000.0 94.0065 2400.0 96.8904 2600.0 108.3567 2500.0 115.0021 280000.0 122.0292 2300.0 132.866 74000.0 133.0127 63000.0 END IONS BEGIN IONS SCANS=1232 PEPMASS=191.0269 CHARGE=-1 COLLISION_ENERGY=0.0 57.0332 100000.0 64.7796 8000.0 67.0173 21000.0 70.1908 7500.0 72.9918 14000.0 84.607 7300.0 85.0278 630000.0 87.0071 1000000.0 96.8891 16000.0 101.0224 9300.0 102.947 15000.0 110.9988 21000.0 111.0072 3000000.0 117.0176 11000.0 129.0174 150000.0 130.9958 12000.0 147.0282 10000.0 154.9965 33000.0 173.0073 59000.0 191.0189 320000.0 END IONS BEGIN IONS SCANS=1233 PEPMASS=194.945 CHARGE=-1 COLLISION_ENERGY=0.0 51.2618 2100.0 59.0128 2700.0 59.326 2300.0 75.007 19000.0 78.9575 140000.0 96.8894 3500.0 96.9679 660000.0 96.9808 3500.0 97.0107 2300.0 99.007 4400.0 102.7024 2600.0 121.0443 2700.0 126.5354 2200.0 129.0178 11000.0 130.9904 13000.0 158.9237 22000.0 159.028 3700.0 176.934 49000.0 182.4721 2800.0 194.9018 4300.0 195.05 29000.0 204.3756 2800.0 208.1951 2200.0 214.3765 2500.0 END IONS BEGIN IONS SCANS=1234 PEPMASS=96.968 CHARGE=-1 COLLISION_ENERGY=0.0 78.9482 19000.0 78.9502 22000.0 78.9577 3000000.0 78.9654 16000.0 78.9672 18000.0 79.9559 160000.0 95.174 3700.0 96.8856 5700.0 96.8911 8600.0 96.9385 7700.0 96.9456 22000.0 96.9487 33000.0 96.9521 21000.0 96.9589 3800000.0 96.9676 230000.0 END IONS BEGIN IONS SCANS=1235 PEPMASS=133.0177 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99.0433 40000.0 101.0228 37000.0 115.0385 25000.0 125.0227 140000.0 143.0335 25000.0 145.0128 72000.0 180.9825 2200.0 187.0238 46000.0 205.0345 61000.0 END IONS BEGIN IONS SCANS=1239 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 52.2792 23000.0 57.9919 300000.0 68.0 28000.0 85.0027 6300000.0 92.9976 23000.0 96.8899 33000.0 END IONS BEGIN IONS SCANS=1240 PEPMASS=104.0268 CHARGE=-1 COLLISION_ENERGY=0.0 60.0159 4000.0 68.743 2700.0 78.8665 3000.0 96.8886 3200.0 104.0238 7900.0 114.9541 2900.0 END IONS BEGIN IONS SCANS=1241 PEPMASS=191.0193 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 81000.0 67.0178 18000.0 69.1636 5700.0 72.9917 6300.0 85.0279 580000.0 85.0352 7300.0 87.0072 870000.0 96.8898 6800.0 102.947 6200.0 103.0377 5900.0 111.0073 2400000.0 117.0177 11000.0 119.8228 5500.0 127.5797 5300.0 129.0177 130000.0 141.0544 6500.0 147.0278 8400.0 154.9972 20000.0 159.3928 6500.0 173.0069 50000.0 191.019 250000.0 END IONS BEGIN IONS SCANS=1242 PEPMASS=209.0293 CHARGE=-1 COLLISION_ENERGY=0.0 50.3388 2100.0 51.514 2400.0 55.596 2200.0 57.0332 8900.0 58.1117 2200.0 58.9889 2000.0 59.0123 11000.0 59.2878 2300.0 69.922 2400.0 71.0125 10000.0 85.0278 86000.0 89.0226 5400.0 96.889 3800.0 102.5376 2500.0 110.0725 2200.0 129.0176 3900.0 133.0129 9100.0 145.9995 3500.0 147.0284 3800.0 191.0182 13000.0 192.7677 2100.0 209.0296 28000.0 END IONS BEGIN IONS SCANS=1243 PEPMASS=96.9678 CHARGE=-1 COLLISION_ENERGY=0.0 60.4652 2500.0 62.4178 2500.0 65.8399 2300.0 69.8451 2300.0 78.9577 1200000.0 78.9655 6000.0 78.9672 9600.0 79.9558 91000.0 81.2281 2400.0 83.3068 2400.0 85.6889 2700.0 93.7963 2800.0 95.0922 2500.0 96.8881 4600.0 96.9271 3700.0 96.9456 10000.0 96.9588 2100000.0 96.9676 95000.0 98.1198 2300.0 98.6818 2600.0 END IONS BEGIN IONS SCANS=1244 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 400000.0 60.4622 31000.0 70.0766 29000.0 77.8833 23000.0 85.0028 7700000.0 96.8902 27000.0 END IONS BEGIN IONS SCANS=1245 PEPMASS=84.9957 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 370000.0 68.0001 25000.0 84.9921 57000.0 85.0028 8200000.0 96.8879 27000.0 101.4785 20000.0 END IONS BEGIN IONS SCANS=1246 PEPMASS=111.0067 CHARGE=-1 COLLISION_ENERGY=0.0 63.8087 1800.0 63.8381 1900.0 65.9972 6700.0 67.0176 4600.0 68.0127 2100.0 81.0422 2100.0 96.8873 2600.0 111.0075 11000.0 111.0177 2000.0 122.7269 1900.0 END IONS BEGIN IONS SCANS=1247 PEPMASS=205.0339 CHARGE=-1 COLLISION_ENERGY=0.0 52.8615 2300.0 65.977 2000.0 72.0 2200.0 79.0227 2300.0 85.0029 3400.0 96.8912 2400.0 99.0434 23000.0 101.0229 24000.0 103.1122 2400.0 115.0382 9000.0 125.0226 75000.0 127.6483 2800.0 143.0334 16000.0 145.0129 52000.0 179.3736 2800.0 187.0234 25000.0 202.4038 2800.0 205.0349 34000.0 END IONS BEGIN IONS SCANS=1248 PEPMASS=191.0276 CHARGE=-1 COLLISION_ENERGY=0.0 54.4268 4300.0 57.0331 55000.0 67.0175 9000.0 73.0278 5800.0 76.6154 3900.0 85.0278 370000.0 87.0071 550000.0 102.9473 16000.0 103.0385 7600.0 111.0072 1600000.0 117.0174 9600.0 129.0176 79000.0 130.9966 5200.0 151.1535 3800.0 154.9967 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85.0204 8400.0 85.0279 540000.0 87.0072 790000.0 96.8872 6900.0 101.0229 6000.0 102.947 14000.0 103.039 6100.0 111.0072 2400000.0 111.023 18000.0 117.0179 7800.0 129.0175 120000.0 130.9976 8200.0 147.0283 15000.0 154.9968 23000.0 173.0081 39000.0 191.0189 260000.0 END IONS BEGIN IONS SCANS=1253 PEPMASS=133.013 CHARGE=-1 COLLISION_ENERGY=0.0 71.0068 3200.0 71.0124 230000.0 71.0174 3200.0 71.0181 2100.0 72.9915 34000.0 87.0075 2900.0 89.0227 27000.0 95.5785 2100.0 96.8878 3700.0 105.5184 2200.0 108.4001 2000.0 110.9487 2100.0 115.0021 340000.0 132.8662 70000.0 133.0127 78000.0 END IONS BEGIN IONS SCANS=1254 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 270000.0 67.9997 23000.0 79.9878 17000.0 85.0028 5300000.0 85.0133 30000.0 87.9863 18000.0 96.6376 17000.0 103.0768 18000.0 103.9021 16000.0 END IONS BEGIN IONS SCANS=1255 PEPMASS=191.0265 CHARGE=-1 COLLISION_ENERGY=0.0 57.0333 84000.0 67.0175 18000.0 73.0278 8800.0 85.0202 8100.0 85.028 520000.0 85.0353 6600.0 87.0072 810000.0 96.8901 18000.0 101.4148 5200.0 102.9472 18000.0 110.9918 7700.0 110.9937 5800.0 111.0074 2400000.0 117.0178 9400.0 129.0175 120000.0 130.9981 8400.0 147.0289 16000.0 150.5792 6200.0 154.9968 25000.0 173.007 52000.0 191.0187 240000.0 END IONS BEGIN IONS SCANS=1256 PEPMASS=191.0278 CHARGE=-1 COLLISION_ENERGY=0.0 54.6427 4700.0 57.0333 77000.0 67.0174 20000.0 72.992 5500.0 75.3825 4800.0 85.0279 510000.0 85.035 5600.0 86.5026 5200.0 87.0071 760000.0 96.8881 6500.0 102.9469 14000.0 103.0385 6700.0 111.0073 2300000.0 115.3524 4500.0 117.0173 14000.0 129.0176 120000.0 130.9977 7000.0 146.9381 6400.0 147.0286 12000.0 154.9983 24000.0 173.0076 43000.0 191.0189 250000.0 191.053 5400.0 END IONS BEGIN IONS SCANS=1257 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.5294 26000.0 57.992 350000.0 59.0593 27000.0 63.7264 25000.0 81.3315 24000.0 84.9921 38000.0 85.0027 6900000.0 89.103 27000.0 91.2545 25000.0 95.5306 21000.0 96.8894 26000.0 END IONS BEGIN IONS SCANS=1258 PEPMASS=104.0295 CHARGE=-1 COLLISION_ENERGY=0.0 53.2384 2500.0 58.0378 2200.0 78.377 2400.0 82.1243 2500.0 82.6867 2300.0 96.8878 4200.0 104.024 7200.0 118.1042 2500.0 END IONS BEGIN IONS SCANS=1259 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5196 18000.0 55.6495 17000.0 57.9919 220000.0 68.0001 18000.0 77.5935 16000.0 83.2667 16000.0 85.0028 4700000.0 85.4545 15000.0 96.8878 29000.0 END IONS BEGIN IONS SCANS=1260 PEPMASS=193.0056 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 7100.0 65.8952 2800.0 70.1095 2900.0 84.9921 17000.0 84.9947 8700.0 85.0029 2400000.0 85.0134 17000.0 90.9317 4500.0 96.8882 4900.0 113.0812 2800.0 126.428 3200.0 193.087 13000.0 END IONS BEGIN IONS SCANS=1261 PEPMASS=133.0127 CHARGE=-1 COLLISION_ENERGY=0.0 58.6616 2000.0 62.6789 2000.0 71.0122 130000.0 72.9912 22000.0 83.2224 2600.0 87.0071 2700.0 89.0227 17000.0 93.6506 2700.0 96.8882 6100.0 114.9902 2500.0 114.9919 2700.0 115.0019 210000.0 115.0116 4100.0 115.0136 2600.0 120.0731 2100.0 132.8663 52000.0 133.0124 50000.0 END IONS BEGIN 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2800.0 121.146 2400.0 193.0863 8800.0 END IONS BEGIN IONS SCANS=1267 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5272 14000.0 57.9921 200000.0 63.0387 12000.0 65.719 11000.0 72.9056 12000.0 85.0028 4100000.0 96.8894 17000.0 END IONS BEGIN IONS SCANS=1268 PEPMASS=191.0274 CHARGE=-1 COLLISION_ENERGY=0.0 51.5382 3700.0 57.0332 39000.0 57.3646 3700.0 62.7957 4400.0 67.0176 7800.0 72.2556 3100.0 72.9912 3500.0 78.5927 3100.0 85.0278 290000.0 85.0352 4800.0 87.0071 460000.0 91.3494 3600.0 96.8896 5700.0 101.0228 6300.0 101.771 3400.0 102.8259 3500.0 102.9469 21000.0 109.8059 3200.0 111.0072 1400000.0 117.0172 7300.0 117.1135 3100.0 121.7563 3500.0 128.3666 3300.0 129.0177 68000.0 130.9971 8500.0 138.1423 3600.0 146.9374 5900.0 147.0285 8400.0 154.9973 14000.0 168.4768 3200.0 170.9874 4200.0 173.0073 23000.0 191.0185 170000.0 197.5904 3800.0 204.0445 3100.0 END IONS BEGIN IONS SCANS=1269 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.55 34000.0 55.3542 20000.0 57.992 370000.0 62.6071 22000.0 67.1034 26000.0 84.989 29000.0 85.0028 8000000.0 85.0134 41000.0 END IONS BEGIN IONS SCANS=1270 PEPMASS=84.9978 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 320000.0 68.6835 19000.0 71.9897 18000.0 84.9922 36000.0 85.0027 6300000.0 96.8835 23000.0 96.8895 30000.0 END IONS BEGIN IONS SCANS=1271 PEPMASS=192.9974 CHARGE=-1 COLLISION_ENERGY=0.0 50.9432 2600.0 57.9919 3600.0 60.4602 2400.0 66.2998 2200.0 84.9921 9500.0 84.9946 6400.0 85.0028 1500000.0 85.0135 9200.0 85.0165 3700.0 91.7248 2700.0 96.8897 4900.0 113.0115 2400.0 152.0617 2300.0 187.306 2700.0 192.1353 3000.0 192.9971 3400.0 193.0873 5700.0 200.9072 2400.0 END IONS BEGIN IONS SCANS=1272 PEPMASS=169.9796 CHARGE=-1 COLLISION_ENERGY=0.0 50.6235 2300.0 61.9866 12000.0 62.2964 1900.0 71.7197 2000.0 74.2017 2100.0 75.3741 2000.0 80.4156 2400.0 85.0027 440000.0 101.7468 2100.0 105.8699 2300.0 129.4809 2300.0 135.8804 2100.0 170.0348 2500.0 175.3586 2400.0 179.1422 2800.0 END IONS BEGIN IONS SCANS=1273 PEPMASS=112.9841 CHARGE=-1 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84.8501 16000.0 85.0028 6200000.0 96.8892 17000.0 END IONS BEGIN IONS SCANS=1277 PEPMASS=96.9585 CHARGE=-1 COLLISION_ENERGY=0.0 54.8669 2000.0 59.6229 2300.0 78.9575 210000.0 78.964 2400.0 79.9557 55000.0 82.1467 2500.0 96.8875 3700.0 96.9454 10000.0 96.9586 1300000.0 96.9686 21000.0 96.9715 3300.0 END IONS BEGIN IONS SCANS=1278 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.992 5500.0 61.3133 2500.0 82.4867 2300.0 84.9767 2800.0 84.9893 4600.0 84.9921 8800.0 85.0029 1500000.0 85.0135 10000.0 96.8883 3800.0 102.7872 2000.0 175.7524 2700.0 192.9986 2700.0 193.087 11000.0 END IONS BEGIN IONS SCANS=1279 PEPMASS=191.0192 CHARGE=-1 COLLISION_ENERGY=0.0 50.0065 2400.0 57.0333 18000.0 59.0126 2700.0 66.3764 2300.0 85.0279 100000.0 87.0071 150000.0 87.0152 2600.0 87.0631 2600.0 87.9232 3800.0 93.389 2300.0 96.8897 2900.0 102.9472 40000.0 111.0071 440000.0 129.0179 23000.0 146.9373 8200.0 147.0285 2700.0 154.9968 3700.0 165.8051 2400.0 173.0084 9500.0 191.0189 50000.0 191.0549 3600.0 191.1556 2300.0 END IONS BEGIN IONS SCANS=1280 PEPMASS=84.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 400000.0 61.1539 28000.0 67.9999 36000.0 79.352 23000.0 85.0028 7000000.0 96.8903 27000.0 END IONS BEGIN IONS SCANS=1281 PEPMASS=112.9839 CHARGE=-1 COLLISION_ENERGY=0.0 51.5324 2500.0 58.3192 1900.0 60.4789 2100.0 68.9941 30000.0 71.9754 2400.0 76.2608 2100.0 85.0027 6700.0 85.7775 2000.0 94.9848 2000.0 101.3152 2000.0 105.6618 2000.0 112.9974 23000.0 128.4766 1900.0 128.7839 1900.0 129.4235 2100.0 END IONS BEGIN IONS SCANS=1282 PEPMASS=133.0124 CHARGE=-1 COLLISION_ENERGY=0.0 64.6637 2500.0 66.7962 2000.0 70.9237 2000.0 71.0125 45000.0 72.9911 10000.0 78.4818 2000.0 89.023 6000.0 90.0067 2600.0 90.7325 1900.0 105.261 2000.0 115.0021 79000.0 132.8665 74000.0 133.0126 15000.0 END IONS BEGIN IONS SCANS=1283 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 53.6917 24000.0 57.992 340000.0 67.8703 24000.0 78.4575 25000.0 79.3847 28000.0 85.0028 7400000.0 85.0134 39000.0 100.8208 20000.0 END IONS 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63.7268 2300.0 67.0174 4800.0 85.0278 110000.0 87.0071 160000.0 87.0148 2400.0 91.0009 2400.0 96.889 3000.0 102.947 31000.0 111.0071 510000.0 129.0175 25000.0 139.2803 2300.0 146.9364 7100.0 170.9874 2700.0 173.0075 13000.0 191.0187 55000.0 END IONS BEGIN IONS SCANS=1288 PEPMASS=191.0194 CHARGE=-1 COLLISION_ENERGY=0.0 52.6445 2200.0 55.2647 2300.0 56.0075 2100.0 57.0334 20000.0 58.9579 2600.0 60.4598 2500.0 67.0173 2600.0 85.0279 120000.0 87.0072 210000.0 87.0139 4200.0 87.9233 3000.0 96.8909 3500.0 102.9471 37000.0 111.0073 590000.0 115.0282 2600.0 129.0177 34000.0 146.9378 10000.0 147.0289 6900.0 154.9971 3800.0 170.9857 2600.0 173.007 14000.0 191.0192 68000.0 191.0556 4700.0 END IONS BEGIN IONS SCANS=1289 PEPMASS=169.9797 CHARGE=-1 COLLISION_ENERGY=0.0 61.9869 11000.0 68.9793 2300.0 85.0027 590000.0 88.2913 2200.0 92.0115 2400.0 96.8904 4600.0 98.1114 2500.0 101.7412 2300.0 140.789 2200.0 169.8679 3600.0 176.8336 2000.0 END IONS BEGIN IONS SCANS=1290 PEPMASS=84.9954 CHARGE=-1 COLLISION_ENERGY=0.0 50.1056 26000.0 50.5232 24000.0 51.6731 23000.0 57.992 300000.0 58.6565 22000.0 68.0002 46000.0 70.9231 24000.0 76.6577 26000.0 85.0028 5100000.0 96.8883 36000.0 END IONS BEGIN IONS SCANS=1291 PEPMASS=192.9961 CHARGE=-1 COLLISION_ENERGY=0.0 52.5117 2300.0 54.5394 2400.0 54.5625 2200.0 62.9411 2400.0 69.4131 2200.0 85.0027 540000.0 89.2063 2100.0 98.7396 2200.0 111.4694 2400.0 116.3278 2100.0 148.9319 2200.0 149.0042 2000.0 192.9905 2400.0 193.0865 9800.0 195.6402 2200.0 END IONS BEGIN IONS SCANS=1292 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 50.1056 26000.0 50.5232 24000.0 51.6731 23000.0 57.992 300000.0 58.6565 22000.0 68.0002 46000.0 70.9231 24000.0 76.6577 26000.0 85.0028 5100000.0 96.8883 36000.0 END IONS BEGIN IONS SCANS=1293 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 56.4448 18000.0 57.9921 390000.0 60.4149 19000.0 68.0 22000.0 79.9698 19000.0 84.9921 66000.0 85.0028 8900000.0 85.0135 54000.0 96.8903 30000.0 END IONS BEGIN IONS SCANS=1294 PEPMASS=158.9778 CHARGE=-1 COLLISION_ENERGY=0.0 58.9973 28000.0 70.9973 330000.0 75.8238 22000.0 86.9921 1100000.0 93.4922 21000.0 95.9216 21000.0 96.8883 43000.0 102.9872 3500000.0 105.1467 20000.0 114.987 910000.0 130.9823 8400000.0 131.9826 37000.0 141.2467 18000.0 150.1877 21000.0 153.7225 22000.0 158.9771 280000.0 168.185 20000.0 END IONS BEGIN IONS SCANS=1295 PEPMASS=114.9868 CHARGE=-1 COLLISION_ENERGY=0.0 58.9975 2800.0 59.4519 2800.0 70.9974 8500.0 73.0391 2500.0 84.1154 2400.0 86.7377 2400.0 86.9921 34000.0 96.8889 2800.0 102.9872 400000.0 115.0284 3300.0 124.7583 2300.0 130.9818 19000.0 END IONS BEGIN IONS SCANS=1296 PEPMASS=159.978 CHARGE=-1 COLLISION_ENERGY=0.0 59.9982 4900.0 64.816 3000.0 70.9972 2900.0 71.9979 14000.0 73.0988 3700.0 86.9921 9600.0 87.9928 56000.0 96.8884 15000.0 102.9869 100000.0 103.9879 630000.0 104.9845 9300.0 115.9879 37000.0 127.7607 3100.0 130.9819 100000.0 131.9569 4800.0 131.9834 1600000.0 132.9789 17000.0 133.9876 5500.0 144.4113 3500.0 159.9782 44000.0 END IONS BEGIN IONS SCANS=1297 PEPMASS=111.987 CHARGE=-1 COLLISION_ENERGY=0.0 51.5212 2700.0 53.4648 1800.0 83.6548 1800.0 83.9926 3000.0 85.0027 11000.0 87.0723 2400.0 96.8918 2200.0 99.9875 69000.0 112.0137 12000.0 127.982 5600.0 END IONS BEGIN IONS SCANS=1298 PEPMASS=155.9777 CHARGE=-1 COLLISION_ENERGY=0.0 54.2414 3300.0 67.9975 5200.0 71.679 3600.0 83.9924 40000.0 96.8869 4300.0 96.8928 3000.0 99.9876 540000.0 104.5711 3400.0 111.9875 120000.0 119.3849 3700.0 127.9576 5000.0 127.9827 2000000.0 128.0081 6400.0 155.9771 59000.0 173.9397 4000.0 END IONS BEGIN IONS SCANS=1299 PEPMASS=386.9374 CHARGE=-1 COLLISION_ENERGY=0.0 51.6964 2300.0 54.0653 2200.0 66.7088 2300.0 72.9341 2400.0 78.7206 2600.0 102.9871 3500.0 114.9872 8600.0 130.9817 77000.0 158.9583 3000.0 158.9613 4700.0 158.977 190000.0 158.9932 4300.0 158.9955 2200.0 216.9687 5300.0 244.963 2500.0 272.9585 120000.0 284.8177 2400.0 348.9072 2500.0 END IONS BEGIN IONS SCANS=1300 PEPMASS=272.9594 CHARGE=-1 COLLISION_ENERGY=0.0 50.6604 6500.0 52.9014 5200.0 55.6837 5600.0 70.9973 18000.0 86.992 68000.0 96.8891 10000.0 100.0924 5400.0 102.987 180000.0 114.987 260000.0 130.961 12000.0 130.982 2000000.0 131.0021 8500.0 132.9865 6800.0 153.381 5400.0 156.979 7100.0 157.9735 8500.0 158.9772 3400000.0 188.9737 26000.0 197.4685 6000.0 216.9674 75000.0 225.6107 6100.0 228.9698 8200.0 244.9622 33000.0 265.2551 7100.0 272.9579 180000.0 290.6236 6800.0 END IONS BEGIN IONS SCANS=1301 PEPMASS=269.958 CHARGE=-1 COLLISION_ENERGY=0.0 50.444 2400.0 50.5849 2100.0 52.1227 2400.0 66.5172 2300.0 96.8885 2300.0 99.9875 18000.0 111.9874 39000.0 127.9687 3100.0 127.9711 4600.0 127.9822 260000.0 155.9776 550000.0 213.9692 4400.0 253.9702 2500.0 269.9605 21000.0 END IONS BEGIN IONS SCANS=1302 PEPMASS=130.9814 CHARGE=-1 COLLISION_ENERGY=0.0 52.9258 2000.0 61.4656 2100.0 65.9973 3000.0 77.3147 1900.0 77.3193 1900.0 77.6996 2000.0 84.5001 2300.0 94.6294 2200.0 96.8856 2900.0 96.8915 3300.0 97.4891 2200.0 98.5331 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44000.0 89.6609 2000.0 96.8914 3800.0 102.9871 330000.0 107.9901 2400.0 114.9869 20000.0 115.0744 2600.0 118.463 2500.0 130.9822 690000.0 158.9773 21000.0 169.9138 2400.0 175.228 2100.0 176.7406 2100.0 END IONS BEGIN IONS SCANS=1306 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 50.1951 15000.0 57.9921 180000.0 75.2608 12000.0 77.2598 15000.0 85.0028 4100000.0 98.3546 14000.0 END IONS BEGIN IONS SCANS=1307 PEPMASS=169.9798 CHARGE=-1 COLLISION_ENERGY=0.0 50.0396 2000.0 57.9918 2800.0 59.3377 2100.0 61.9868 13000.0 64.8199 1800.0 74.638 2100.0 83.9078 2000.0 84.9922 4000.0 85.0028 600000.0 96.8901 3700.0 105.0575 2300.0 167.3295 2300.0 169.8679 5000.0 170.8322 5200.0 188.0458 2700.0 END IONS BEGIN IONS SCANS=1308 PEPMASS=103.0127 CHARGE=-1 COLLISION_ENERGY=0.0 59.0123 98000.0 64.0476 2000.0 66.7634 2100.0 76.0054 7900.0 85.8387 1900.0 96.8867 2600.0 100.489 2000.0 103.0158 19000.0 104.3337 2000.0 END IONS BEGIN IONS SCANS=1309 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 51.5911 19000.0 57.9921 340000.0 65.7353 21000.0 70.1907 20000.0 85.0028 6200000.0 96.8888 29000.0 END IONS BEGIN IONS SCANS=1310 PEPMASS=192.9975 CHARGE=-1 COLLISION_ENERGY=0.0 54.7729 2400.0 57.992 9700.0 74.8101 2800.0 84.989 5900.0 84.9921 13000.0 84.9945 9400.0 85.0028 2100000.0 85.0134 15000.0 87.0736 2500.0 95.5139 2400.0 96.8869 4000.0 126.5946 2600.0 145.3083 2700.0 176.7332 2600.0 192.9971 3100.0 193.0864 8800.0 205.719 2600.0 END IONS BEGIN IONS SCANS=1311 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 330000.0 85.0027 6200000.0 85.0133 43000.0 102.6 21000.0 END IONS BEGIN IONS SCANS=1312 PEPMASS=193.0052 CHARGE=-1 COLLISION_ENERGY=0.0 56.9027 2100.0 57.9921 4100.0 58.4645 2000.0 58.8315 2300.0 65.5493 2700.0 84.989 4000.0 84.9921 13000.0 84.9947 3300.0 85.0029 1600000.0 85.0134 10000.0 93.9055 2300.0 94.9921 2100.0 96.8861 5000.0 96.8919 3700.0 101.4737 2100.0 109.2898 2400.0 114.5995 2200.0 138.1068 2400.0 142.6357 2200.0 151.0886 2200.0 188.4747 2500.0 193.0865 8900.0 194.7238 2400.0 197.7429 2300.0 END IONS BEGIN IONS SCANS=1313 PEPMASS=96.9585 CHARGE=-1 COLLISION_ENERGY=0.0 50.036 2000.0 56.7877 2000.0 65.2326 2400.0 78.9574 140000.0 78.9631 3700.0 78.9642 2400.0 79.9556 50000.0 90.5639 2500.0 96.8886 2400.0 96.9586 1100000.0 96.9665 4800.0 96.9688 12000.0 96.9716 3300.0 106.5197 2100.0 111.6458 2300.0 END IONS BEGIN IONS SCANS=1314 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 55.0938 20000.0 57.992 290000.0 65.4183 23000.0 75.3176 21000.0 85.0028 6000000.0 96.8871 32000.0 96.8923 22000.0 END IONS BEGIN IONS SCANS=1315 PEPMASS=193.0054 CHARGE=-1 COLLISION_ENERGY=0.0 51.5161 2700.0 57.9921 6700.0 60.4124 3200.0 71.9536 2800.0 84.9921 15000.0 84.9942 9000.0 85.0028 2100000.0 85.0134 13000.0 128.0991 3000.0 134.4696 2900.0 145.4085 3100.0 173.4086 2800.0 177.246 3200.0 193.087 9000.0 END IONS BEGIN IONS SCANS=1316 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 390000.0 63.6071 28000.0 67.9998 26000.0 72.2859 25000.0 85.0027 8300000.0 96.8885 48000.0 END IONS BEGIN IONS SCANS=1317 PEPMASS=96.9585 CHARGE=-1 COLLISION_ENERGY=0.0 74.5709 2100.0 78.9575 110000.0 79.9559 48000.0 96.8883 4000.0 96.9587 1100000.0 99.1416 2200.0 END IONS BEGIN IONS SCANS=1318 PEPMASS=84.9976 CHARGE=-1 COLLISION_ENERGY=0.0 57.9919 250000.0 67.9998 28000.0 78.2027 22000.0 85.0027 5800000.0 87.0817 21000.0 88.7486 18000.0 END IONS BEGIN IONS SCANS=1319 PEPMASS=191.0181 CHARGE=-1 COLLISION_ENERGY=0.0 55.742 2100.0 57.0332 8500.0 59.0122 2100.0 63.2743 2300.0 67.0174 3700.0 69.2964 2000.0 69.7236 2200.0 70.3788 2300.0 76.1822 2700.0 85.0278 76000.0 87.0071 120000.0 89.9611 2100.0 90.5654 2300.0 96.8911 3900.0 102.947 23000.0 111.0071 340000.0 113.3643 2200.0 124.341 2100.0 129.0176 17000.0 146.9368 8700.0 173.0076 4600.0 191.0189 36000.0 191.0357 4000.0 191.0551 2900.0 199.0122 2000.0 END IONS BEGIN IONS SCANS=1320 PEPMASS=84.9998 CHARGE=-1 COLLISION_ENERGY=0.0 55.0178 21000.0 57.9919 360000.0 67.9999 29000.0 69.8179 26000.0 85.0027 6900000.0 85.0134 47000.0 89.4087 24000.0 END IONS BEGIN IONS SCANS=1321 PEPMASS=191.018 CHARGE=-1 COLLISION_ENERGY=0.0 51.5602 2400.0 56.0141 2500.0 57.0332 12000.0 57.7479 2100.0 65.142 2600.0 82.3241 2100.0 85.0278 68000.0 87.0071 110000.0 96.8875 3000.0 97.5134 2100.0 98.7307 2300.0 102.9472 23000.0 110.3236 2300.0 111.0071 290000.0 117.2757 2000.0 129.0174 16000.0 146.9376 3900.0 151.4997 2100.0 154.9971 3600.0 173.0083 3700.0 191.0188 31000.0 191.0555 2000.0 END IONS BEGIN IONS SCANS=1322 PEPMASS=192.9977 CHARGE=-1 COLLISION_ENERGY=0.0 57.5926 2300.0 57.9921 6200.0 59.3749 2400.0 67.3358 2400.0 68.9141 2500.0 78.3804 2500.0 84.9922 14000.0 84.9945 11000.0 85.0029 2000000.0 85.0135 13000.0 89.3355 2900.0 92.1793 3100.0 96.8873 3700.0 109.9952 3200.0 110.6366 2500.0 110.7923 2900.0 152.5014 3100.0 165.5617 2300.0 193.087 7700.0 211.6239 2400.0 END IONS BEGIN IONS SCANS=1323 PEPMASS=191.0184 CHARGE=-1 COLLISION_ENERGY=0.0 57.0334 11000.0 70.6317 2200.0 71.0503 2500.0 72.9916 2600.0 76.2118 2600.0 78.5177 2400.0 85.028 89000.0 87.0073 140000.0 87.1366 2400.0 96.8914 2900.0 102.9473 30000.0 111.0073 390000.0 129.018 20000.0 142.9911 2500.0 146.9369 6800.0 173.0075 8100.0 191.0189 44000.0 END IONS BEGIN IONS SCANS=1324 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 50.3934 15000.0 51.1051 14000.0 57.9921 260000.0 85.0028 4700000.0 85.5859 14000.0 94.1554 14000.0 96.8895 24000.0 END IONS BEGIN IONS SCANS=1325 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 53.3967 18000.0 57.992 410000.0 61.9861 19000.0 68.0001 43000.0 74.9951 20000.0 83.919 20000.0 84.992 60000.0 84.9939 33000.0 85.0027 7800000.0 85.0134 59000.0 93.7797 19000.0 96.8888 27000.0 END IONS BEGIN IONS SCANS=1326 PEPMASS=191.0178 CHARGE=-1 COLLISION_ENERGY=0.0 55.1714 2300.0 57.0332 12000.0 76.0766 2300.0 77.0626 2300.0 85.0027 3500.0 85.0277 39000.0 87.0071 72000.0 87.9239 2900.0 92.4643 2400.0 96.889 2900.0 102.9471 24000.0 107.0698 2400.0 111.0069 220000.0 111.0179 2900.0 129.0169 15000.0 146.4228 2300.0 146.9365 3400.0 173.0084 3900.0 175.2372 2400.0 191.0184 28000.0 END IONS BEGIN IONS SCANS=1327 PEPMASS=192.9975 CHARGE=-1 COLLISION_ENERGY=0.0 54.8675 2300.0 57.992 7900.0 77.5373 2500.0 85.0029 1500000.0 85.0135 8300.0 85.0164 4300.0 86.5284 2300.0 96.888 5200.0 106.6709 2400.0 110.0707 2800.0 181.8491 2800.0 193.0855 12000.0 210.7882 2500.0 END IONS BEGIN IONS SCANS=1328 PEPMASS=104.0273 CHARGE=-1 COLLISION_ENERGY=0.0 53.9375 3100.0 60.0156 2900.0 73.681 3000.0 80.9553 2500.0 104.0241 7200.0 104.094 3100.0 END IONS BEGIN IONS SCANS=1329 PEPMASS=174.9556 CHARGE=-1 COLLISION_ENERGY=0.0 56.3822 4900.0 60.8833 6500.0 90.9697 12000.0 96.8881 14000.0 118.9646 590000.0 135.4698 5900.0 146.9356 18000.0 146.96 2800000.0 146.9843 18000.0 174.9545 180000.0 181.3804 6000.0 183.2757 5800.0 END IONS BEGIN IONS SCANS=1330 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 57.9922 350000.0 68.0 22000.0 83.995 7900.0 84.9744 6200.0 84.9921 58000.0 85.0029 7200000.0 85.0113 60000.0 85.0135 45000.0 85.0281 9300.0 END IONS BEGIN IONS SCANS=1331 PEPMASS=304.914 CHARGE=-1 COLLISION_ENERGY=0.0 72.6858 2200.0 82.2937 2400.0 118.9649 7700.0 146.9595 160000.0 174.9543 230000.0 214.3526 2500.0 268.873 2300.0 270.7217 2500.0 276.9186 2700.0 304.9147 27000.0 END IONS BEGIN IONS SCANS=1332 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 51.5209 16000.0 54.5225 13000.0 57.992 230000.0 60.4652 15000.0 67.9383 13000.0 68.0001 16000.0 68.9437 14000.0 71.7803 14000.0 84.992 31000.0 85.0028 4900000.0 96.8916 17000.0 END IONS BEGIN IONS SCANS=1333 PEPMASS=174.9627 CHARGE=-1 COLLISION_ENERGY=0.0 52.3008 3100.0 52.4057 3100.0 60.1854 3700.0 63.8308 3700.0 66.0281 3400.0 70.494 3600.0 72.4323 3400.0 89.8416 3700.0 96.8898 5900.0 118.9646 300000.0 146.9355 9300.0 146.9598 1600000.0 146.9841 10000.0 161.3011 3700.0 174.9548 99000.0 END IONS BEGIN IONS SCANS=1334 PEPMASS=193.0048 CHARGE=-1 COLLISION_ENERGY=0.0 52.1123 2500.0 56.98 2900.0 57.9922 6400.0 62.6109 2800.0 66.442 2300.0 84.9922 13000.0 84.9947 8600.0 85.0029 1900000.0 85.0135 12000.0 91.3992 2300.0 94.161 2800.0 96.8887 3000.0 151.9749 2500.0 193.0868 8000.0 END IONS BEGIN IONS SCANS=1335 PEPMASS=84.9975 CHARGE=-1 COLLISION_ENERGY=0.0 57.9921 230000.0 63.4021 18000.0 85.0028 5000000.0 96.8881 24000.0 END IONS BEGIN IONS SCANS=1336 PEPMASS=85.0 CHARGE=-1 COLLISION_ENERGY=0.0 51.4481 23000.0 54.6786 20000.0 56.2747 21000.0 57.992 370000.0 65.8705 24000.0 66.518 25000.0 67.9998 30000.0 85.0027 6700000.0 87.0058 24000.0 88.8313 26000.0 96.8894 30000.0 END IONS nf_output/clustering/specs_ms.mgf0000644000000000000000000143776514652135336016324 0ustar rootrootBEGIN IONS FEATURE_ID=1 PEPMASS=106.0396 SCANS=1 RTINSECONDS=4.128 CHARGE=1- MSLEVEL=2 51.3819 1.9E3 60.5351 2.5E3 64.0180 1.7E4 65.0131 7.1E4 65.9972 4.6E3 70.3079 2.0E3 79.0288 1.3E4 90.2648 2.2E3 91.2123 2.2E3 96.8886 4.1E3 97.2391 2.0E3 105.0319 2.4E3 106.0396 5.0E5 END IONS BEGIN IONS FEATURE_ID=2 PEPMASS=160.8407 SCANS=2 RTINSECONDS=9.006 CHARGE=1- MSLEVEL=2 64.7943 2.1E3 82.3782 1.9E3 96.8902 4.3E3 134.0342 2.4E3 160.8408 6.4E5 160.8681 3.4E3 161.0460 2.6E3 178.4305 2.0E3 179.0994 2.4E3 END IONS BEGIN IONS FEATURE_ID=3 PEPMASS=162.8375 SCANS=3 RTINSECONDS=9.006 CHARGE=1- MSLEVEL=2 51.5410 2.1E3 54.6112 2.1E3 60.4884 2.2E3 61.0200 2.5E3 63.5774 2.4E3 65.0128 2.3E3 82.4972 2.3E3 86.4382 2.4E3 96.8907 3.3E3 118.9909 8.0E3 162.8379 6.9E5 182.9021 2.5E3 END IONS BEGIN IONS FEATURE_ID=4 PEPMASS=195.8102 SCANS=4 RTINSECONDS=9.006 CHARGE=1- MSLEVEL=2 61.4044 2.1E3 64.7064 2.1E3 65.4125 2.2E3 66.9082 2.0E3 75.0643 1.9E3 96.8872 3.4E3 103.9192 4.7E3 119.8849 2.3E3 125.3746 2.6E3 126.6620 2.7E3 135.4998 2.3E3 160.8406 1.5E5 176.7777 2.3E3 195.8101 1.3E5 196.0625 3.9E3 END IONS BEGIN IONS FEATURE_ID=5 PEPMASS=197.8073 SCANS=5 RTINSECONDS=9.006 CHARGE=1- MSLEVEL=2 61.9867 4.9E3 62.8116 2.1E3 75.7756 2.4E3 96.8882 7.3E3 103.9182 4.1E3 103.9743 2.2E3 116.3377 2.3E3 141.9106 7.4E3 153.8986 8.7E3 160.8407 1.3E5 162.8377 3.8E5 162.8663 3.0E3 168.9568 2.0E3 197.8072 1.7E5 END IONS BEGIN IONS FEATURE_ID=6 PEPMASS=106.0393 SCANS=6 RTINSECONDS=10.188 CHARGE=1- MSLEVEL=2 51.8783 2.2E3 64.0178 7.3E3 65.0129 3.0E4 68.5940 2.0E3 73.8946 2.3E3 79.0286 7.1E3 89.7409 2.2E3 96.8895 4.5E3 98.6100 2.3E3 106.0394 2.1E5 106.0484 2.8E3 106.0496 2.2E3 END IONS BEGIN IONS FEATURE_ID=7 PEPMASS=90.0080 SCANS=7 RTINSECONDS=21.609 CHARGE=1- MSLEVEL=2 67.2488 2.0E3 70.2704 1.8E3 71.9603 2.5E3 90.0082 1.4E5 96.8882 3.3E3 END IONS BEGIN IONS FEATURE_ID=8 PEPMASS=84.9977 SCANS=8 RTINSECONDS=23.611 CHARGE=1- MSLEVEL=2 57.9920 2.1E5 66.1752 1.3E4 68.0001 1.5E4 85.0028 4.1E6 85.0134 1.7E4 87.0850 1.1E4 91.7788 1.1E4 96.8875 1.4E4 END IONS BEGIN IONS FEATURE_ID=9 PEPMASS=84.9989 SCANS=9 RTINSECONDS=23.679 CHARGE=1- MSLEVEL=2 57.9920 1.3E5 63.9238 7.6E3 64.7413 7.9E3 85.0028 2.7E6 96.8910 8.9E3 END IONS BEGIN IONS FEATURE_ID=10 PEPMASS=260.9105 SCANS=10 RTINSECONDS=25.11 CHARGE=1- MSLEVEL=2 51.2908 2.4E3 51.3550 2.0E3 61.1904 2.3E3 85.0028 5.2E4 96.8887 3.6E3 122.8926 1.4E4 123.9002 6.5E4 133.9088 4.3E4 141.9113 7.8E4 149.9045 3.6E3 160.6167 2.4E3 166.9078 3.1E3 191.9026 3.2E3 192.9110 3.8E3 193.9187 3.9E3 205.9065 2.9E3 209.9133 2.3E4 246.6218 2.4E3 264.2698 2.5E3 END IONS BEGIN IONS FEATURE_ID=11 PEPMASS=84.9970 SCANS=11 RTINSECONDS=26.725 CHARGE=1- MSLEVEL=2 51.5414 1.8E4 57.9921 3.0E5 71.9871 1.7E4 84.7570 1.7E4 85.0029 6.1E6 91.5242 2.1E4 END IONS BEGIN IONS FEATURE_ID=12 PEPMASS=92.0239 SCANS=12 RTINSECONDS=27.11 CHARGE=1- MSLEVEL=2 51.5431 2.4E3 57.8416 2.1E3 64.0055 4.8E3 65.0131 4.9E5 65.0264 2.1E3 65.8196 2.0E3 67.8588 2.0E3 71.8103 2.2E3 77.0437 1.9E3 84.0358 2.4E3 88.4732 2.0E3 92.0238 1.3E5 92.0310 4.4E3 92.0320 2.8E3 96.8887 2.7E3 97.3940 2.8E3 98.9538 1.9E3 END IONS BEGIN IONS FEATURE_ID=13 PEPMASS=84.9990 SCANS=13 RTINSECONDS=27.384 CHARGE=1- MSLEVEL=2 57.9921 1.5E5 81.1659 1.1E4 85.0028 3.2E6 85.0134 1.7E4 96.8862 1.1E4 END IONS BEGIN IONS FEATURE_ID=14 PEPMASS=90.0079 SCANS=14 RTINSECONDS=29.431 CHARGE=1- MSLEVEL=2 55.6652 1.8E3 69.2257 2.8E3 90.0082 1.8E5 92.4109 1.9E3 96.8886 3.0E3 END IONS BEGIN IONS FEATURE_ID=15 PEPMASS=84.9976 SCANS=15 RTINSECONDS=30.698 CHARGE=1- MSLEVEL=2 54.0667 1.3E4 57.9921 2.1E5 67.3881 1.3E4 68.0003 1.7E4 85.0029 4.4E6 96.3121 1.3E4 96.8879 2.8E4 END IONS BEGIN IONS FEATURE_ID=16 PEPMASS=133.0124 SCANS=16 RTINSECONDS=31.057 CHARGE=1- MSLEVEL=2 71.0123 3.5E4 72.9915 6.1E3 89.0229 3.8E3 96.8906 3.2E3 100.8517 2.5E3 115.0020 6.1E4 132.8663 7.4E4 133.0128 1.5E4 133.0400 3.7E3 133.0509 5.1E3 137.4890 2.3E3 END IONS BEGIN IONS FEATURE_ID=17 PEPMASS=96.9581 SCANS=17 RTINSECONDS=31.674 CHARGE=1- MSLEVEL=2 60.4763 2.2E3 72.5547 4.8E3 78.9575 7.9E3 79.9558 1.5E4 96.8887 1.7E4 96.9584 3.7E5 109.2169 2.0E3 113.5547 2.1E3 END IONS BEGIN IONS FEATURE_ID=18 PEPMASS=501.3583 SCANS=18 RTINSECONDS=32.569 CHARGE=1- MSLEVEL=2 50.5952 2.6E3 51.9176 2.6E3 54.1372 2.6E3 58.3555 2.4E3 59.8949 2.5E3 63.4625 2.7E3 65.1159 2.4E3 72.6222 3.7E3 78.1728 2.5E3 96.8833 6.3E3 96.8914 1.1E4 147.1840 2.4E3 382.0745 2.8E3 455.3539 1.5E5 501.3899 2.8E3 END IONS BEGIN IONS FEATURE_ID=19 PEPMASS=455.3542 SCANS=19 RTINSECONDS=32.58 CHARGE=1- MSLEVEL=2 50.5925 9.1E3 50.5955 1.0E5 50.5974 2.8E3 54.6004 2.7E3 70.1803 3.3E3 84.8451 2.7E3 92.0915 3.3E3 96.8911 4.4E3 100.8071 3.3E3 101.3557 2.9E3 113.8366 2.7E3 146.8824 3.1E3 197.7450 3.0E3 209.3214 2.8E3 300.4823 3.2E3 455.2220 1.5E4 455.3551 2.6E6 463.6097 3.4E3 END IONS BEGIN IONS FEATURE_ID=20 PEPMASS=191.0183 SCANS=20 RTINSECONDS=32.859 CHARGE=1- MSLEVEL=2 50.0642 2.3E3 51.5265 2.5E3 57.0335 7.6E3 60.2685 2.2E3 62.9472 2.3E3 67.0177 2.2E3 76.2078 2.1E3 83.6416 2.3E3 85.0281 3.8E4 87.0073 5.5E4 87.9243 2.0E3 102.9471 1.9E4 111.0073 1.7E5 129.0180 7.7E3 137.9316 2.2E3 146.9371 5.7E3 173.0082 2.4E3 191.0191 2.4E4 END IONS BEGIN IONS FEATURE_ID=21 PEPMASS=459.3466 SCANS=21 RTINSECONDS=33.193 CHARGE=1- MSLEVEL=2 50.5412 2.5E3 51.0366 2.5E3 51.0395 5.8E3 69.7914 2.4E3 94.4928 2.6E3 96.8873 2.6E3 107.3280 2.3E3 112.4799 2.9E3 113.9506 2.5E3 133.0281 8.0E3 134.0355 1.3E4 135.0440 1.4E4 137.0234 4.9E3 139.0396 2.7E3 147.1104 3.1E3 161.0232 3.1E4 163.8236 2.9E3 165.5676 3.1E3 179.0340 1.1E4 207.8734 2.6E3 208.7759 3.3E3 386.0945 2.4E3 459.3495 2.4E5 END IONS BEGIN IONS FEATURE_ID=22 PEPMASS=431.3153 SCANS=22 RTINSECONDS=33.646 CHARGE=1- MSLEVEL=2 51.5205 2.3E3 83.0331 2.8E3 96.8891 3.5E3 102.6782 2.8E3 121.0283 2.9E3 133.0283 1.0E4 134.0354 1.9E4 135.0441 3.0E4 137.0234 9.6E3 139.0385 3.9E3 161.0230 5.1E4 178.0256 2.8E3 179.0338 2.5E4 236.4366 2.8E3 306.6060 2.9E3 431.3173 4.6E5 END IONS BEGIN IONS FEATURE_ID=23 PEPMASS=293.1759 SCANS=23 RTINSECONDS=34.355 CHARGE=1- MSLEVEL=2 61.4488 2.3E3 66.2848 2.3E3 71.0124 1.0E4 78.7044 2.3E3 96.8849 5.3E3 96.8917 8.7E3 101.3703 2.3E3 128.0517 2.5E3 136.0879 1.5E4 191.1822 2.8E3 192.1142 2.5E4 193.1589 9.3E4 220.1467 3.9E4 221.1539 1.3E5 236.1048 1.2E5 249.1854 3.3E4 293.1768 7.4E4 293.2133 4.4E4 302.0440 2.7E3 END IONS BEGIN IONS FEATURE_ID=24 PEPMASS=313.0727 SCANS=24 RTINSECONDS=34.981 CHARGE=1- MSLEVEL=2 50.0477 2.5E3 60.6234 2.5E3 72.5871 3.8E3 72.5907 3.6E3 87.9484 2.2E3 92.5841 2.3E3 96.3461 2.2E3 96.8907 1.4E4 115.6255 2.4E3 135.6003 3.0E3 155.9144 2.6E3 202.2184 2.3E3 227.0354 9.2E3 255.0293 8.7E4 269.0454 8.0E3 270.0535 7.5E4 272.4460 2.6E3 273.1390 3.3E3 282.0179 8.1E3 283.0256 2.7E4 285.0773 7.1E3 297.0405 2.4E4 298.0489 3.2E5 313.0723 4.8E5 END IONS BEGIN IONS FEATURE_ID=25 PEPMASS=297.0770 SCANS=25 RTINSECONDS=35.482 CHARGE=1- MSLEVEL=2 57.2357 2.2E3 61.3766 2.3E3 65.9579 2.4E3 72.9787 2.4E3 95.8414 2.2E3 96.8869 4.4E3 101.3490 2.8E3 108.2094 2.5E3 182.3240 2.4E3 204.0994 2.3E3 211.0399 7.5E3 239.0344 6.3E4 254.0580 4.6E4 267.0295 1.6E4 268.9512 2.7E3 269.0821 5.2E3 276.6774 2.2E3 282.0179 6.9E3 282.0529 1.7E5 297.0425 9.1E3 297.0770 3.2E5 297.1493 1.8E4 297.2415 9.3E3 306.5185 2.7E3 END IONS BEGIN IONS FEATURE_ID=26 PEPMASS=431.1833 SCANS=26 RTINSECONDS=36.46 CHARGE=1- MSLEVEL=2 60.4590 2.1E3 61.1678 2.5E3 68.3071 2.7E3 71.7965 2.4E3 78.5742 2.4E3 96.8898 4.8E3 121.9349 2.4E3 133.0280 5.3E3 134.0355 8.9E3 135.0438 1.7E4 137.0232 5.5E3 139.0389 3.0E3 161.0231 2.6E4 179.0340 9.9E3 204.0281 2.3E3 355.1694 1.1E4 385.1797 1.1E4 431.1893 2.8E4 431.3170 2.9E5 END IONS BEGIN IONS FEATURE_ID=27 PEPMASS=431.1530 SCANS=27 RTINSECONDS=37.041 CHARGE=1- MSLEVEL=2 66.8656 2.5E3 78.7693 2.7E3 78.9517 2.8E3 96.8932 8.9E3 96.9009 2.4E3 100.4091 2.9E3 106.5247 2.4E3 148.9890 5.9E3 149.7715 2.5E3 205.1440 4.0E3 207.4129 2.7E3 265.8948 2.8E3 355.1422 2.3E4 385.1509 4.8E4 386.1537 4.9E3 401.8979 3.1E3 431.1526 5.1E4 432.1543 8.5E3 END IONS BEGIN IONS FEATURE_ID=28 PEPMASS=470.1610 SCANS=28 RTINSECONDS=37.041 CHARGE=1- MSLEVEL=2 54.8696 2.6E3 55.2824 2.4E3 77.5511 2.8E3 79.8781 2.6E3 84.0014 1.4E5 96.8980 3.0E3 149.5090 2.6E3 158.7747 2.5E3 163.3851 2.6E3 198.8348 2.6E3 222.0922 2.5E3 355.1439 5.3E3 356.3412 2.6E3 385.1507 9.2E3 END IONS BEGIN IONS FEATURE_ID=29 PEPMASS=267.0649 SCANS=29 RTINSECONDS=38.289 CHARGE=1- MSLEVEL=2 51.5180 2.3E3 56.2551 2.2E3 58.0683 2.2E3 69.0651 2.2E3 73.1862 2.3E3 75.7744 2.4E3 100.6278 2.4E3 129.0794 2.4E3 132.0196 3.0E3 143.9647 2.4E3 208.0528 3.0E3 223.0403 8.1E3 223.1661 2.3E3 251.0350 4.2E3 252.0426 1.7E5 255.7143 2.9E3 267.0663 2.1E5 END IONS BEGIN IONS FEATURE_ID=30 PEPMASS=84.9976 SCANS=30 RTINSECONDS=38.631 CHARGE=1- MSLEVEL=2 51.5340 1.8E4 57.9921 2.6E5 63.3400 1.3E4 68.0000 1.9E4 69.1323 1.4E4 74.8101 1.3E4 84.9891 1.9E4 85.0029 5.8E6 85.0135 3.6E4 END IONS BEGIN IONS FEATURE_ID=31 PEPMASS=108.0072 SCANS=31 RTINSECONDS=39.376 CHARGE=1- MSLEVEL=2 52.0180 2.2E3 63.9253 2.0E3 64.0052 2.5E3 65.0131 7.7E3 65.9972 1.2E4 77.5424 2.4E3 80.0126 3.8E4 90.0082 4.4E4 96.8898 2.7E3 107.9965 2.7E3 108.0075 1.6E5 108.0176 1.6E4 END IONS BEGIN IONS FEATURE_ID=32 PEPMASS=121.0275 SCANS=32 RTINSECONDS=39.57 CHARGE=1- MSLEVEL=2 58.9974 2.3E3 64.3183 2.3E3 64.8810 1.9E3 68.2917 2.0E3 71.6901 2.3E3 72.3294 2.1E3 93.0329 5.2E3 96.8882 3.2E3 105.2798 2.3E3 107.7821 2.1E3 108.0203 7.4E3 108.4975 2.2E3 109.2289 2.2E3 121.0042 3.6E3 121.0280 5.7E5 125.4135 2.9E3 END IONS BEGIN IONS FEATURE_ID=33 PEPMASS=141.0183 SCANS=33 RTINSECONDS=39.817 CHARGE=1- MSLEVEL=2 51.5264 2.4E3 65.0131 2.7E3 66.5594 2.0E3 68.6535 1.9E3 68.9968 3.4E3 71.0123 4.7E3 85.0278 3.1E3 89.5711 1.8E3 94.6778 1.8E3 96.8895 2.9E3 99.0071 5.1E4 110.4530 2.3E3 114.0083 2.0E4 127.9298 3.0E3 141.0190 3.1E4 END IONS BEGIN IONS FEATURE_ID=34 PEPMASS=242.1583 SCANS=34 RTINSECONDS=40.216 CHARGE=1- MSLEVEL=2 54.8351 2.4E3 68.2416 2.4E3 68.9889 2.7E3 94.9861 3.3E3 97.6985 2.6E3 99.9168 6.6E3 116.5411 2.4E3 116.9180 3.6E3 116.9859 1.2E4 128.9858 7.6E3 164.8440 3.2E3 166.9798 3.2E3 167.0534 2.4E3 178.9993 3.4E3 181.1455 1.9E5 182.1490 1.3E4 182.9734 9.5E3 202.9782 7.4E3 202.9962 3.0E3 222.9830 5.7E3 223.0023 4.2E3 224.1487 1.7E4 225.1326 1.1E5 225.1545 4.7E3 226.1353 7.1E3 242.1328 5.5E3 242.1582 3.0E5 242.9692 1.3E4 242.9900 4.3E3 243.1413 2.4E4 243.1620 2.7E4 254.6571 2.3E3 END IONS BEGIN IONS FEATURE_ID=35 PEPMASS=104.0295 SCANS=35 RTINSECONDS=40.477 CHARGE=1- MSLEVEL=2 56.0095 2.9E3 58.9791 3.1E3 59.0792 3.3E3 59.2818 2.8E3 68.6845 3.0E3 71.1348 3.2E3 104.0241 9.8E3 END IONS BEGIN IONS FEATURE_ID=36 PEPMASS=84.9974 SCANS=36 RTINSECONDS=41.833 CHARGE=1- MSLEVEL=2 50.8810 2.0E4 57.9921 3.4E5 74.5515 2.2E4 85.0029 7.2E6 93.9092 2.1E4 96.8865 2.6E4 END IONS BEGIN IONS FEATURE_ID=37 PEPMASS=200.0552 SCANS=37 RTINSECONDS=41.922 CHARGE=1- MSLEVEL=2 56.1600 2.3E3 59.0125 1.7E5 68.9967 1.8E4 71.0127 1.0E4 71.8277 2.1E3 72.6569 2.2E3 74.0212 2.4E3 96.8904 2.9E3 112.0387 2.4E4 136.1558 2.0E3 140.0341 1.4E5 END IONS BEGIN IONS FEATURE_ID=38 PEPMASS=84.9958 SCANS=38 RTINSECONDS=45.124 CHARGE=1- MSLEVEL=2 53.3993 2.5E4 55.7459 2.8E4 57.9919 4.2E5 60.4590 2.5E4 68.0003 2.7E4 71.9507 3.3E4 85.0028 9.1E6 END IONS BEGIN IONS FEATURE_ID=39 PEPMASS=187.0831 SCANS=39 RTINSECONDS=45.394 CHARGE=1- MSLEVEL=2 57.0290 1.9E4 59.0079 5.3E3 59.7312 2.3E3 70.9870 2.7E3 71.6208 2.6E3 72.0168 2.6E3 83.0426 3.1E3 92.9874 1.1E4 95.0416 5.1E3 96.8959 4.9E3 97.0508 2.9E3 97.0573 6.8E4 98.0605 3.0E3 98.9966 6.3E3 99.9171 1.1E4 99.9403 1.2E4 99.9831 2.4E3 102.9202 3.4E3 102.9910 5.0E3 115.9106 5.0E3 116.9186 6.0E3 116.9858 1.0E4 119.9218 6.5E3 123.0712 3.1E4 125.0867 7.2E5 126.0900 4.6E4 126.9895 3.1E3 141.1169 2.4E3 143.0596 3.5E3 143.0963 1.1E4 143.8867 4.8E3 143.9270 4.2E3 146.9942 1.0E4 158.8804 3.1E3 158.9743 6.6E3 159.8808 4.9E3 166.9798 1.1E4 166.9996 3.3E3 186.8416 4.7E3 186.9681 9.9E3 186.9849 8.1E3 187.0478 4.0E3 187.0831 2.6E5 187.1183 4.2E3 188.0861 1.5E4 200.9756 2.6E3 END IONS BEGIN IONS FEATURE_ID=40 PEPMASS=187.0950 SCANS=40 RTINSECONDS=45.475 CHARGE=1- MSLEVEL=2 57.0333 4.1E3 85.0032 2.2E3 89.3519 2.2E3 96.8876 2.9E3 97.0641 1.8E4 99.9475 7.0E3 113.1334 2.2E3 116.1259 2.3E3 117.3627 2.0E3 123.0802 6.9E3 125.0825 3.2E3 125.0955 2.5E5 141.8653 2.3E3 143.1068 5.2E3 145.8737 2.2E3 169.0863 2.3E3 183.2612 2.2E3 187.0967 1.3E5 END IONS BEGIN IONS FEATURE_ID=41 PEPMASS=310.9457 SCANS=41 RTINSECONDS=46.276 CHARGE=1- MSLEVEL=2 51.5344 2.6E3 57.6087 2.2E3 63.9748 2.4E3 80.5328 2.1E3 80.8949 2.6E3 83.9949 1.6E4 85.0027 7.7E4 87.9237 7.0E3 96.8906 4.6E3 102.9345 5.4E3 103.9188 6.8E3 104.9265 4.7E3 105.9345 7.8E3 110.0562 2.4E3 111.9354 6.9E3 113.9267 3.1E3 115.9423 3.5E4 123.9444 3.3E4 124.9429 3.3E3 128.9382 1.0E4 129.9227 2.8E3 131.9376 3.1E3 133.1727 2.4E3 140.9379 5.2E3 147.9566 4.0E3 148.9410 5.2E3 173.9351 4.2E3 183.9451 8.5E3 191.9468 1.5E4 241.9360 3.3E3 242.9456 6.6E3 243.9534 6.0E3 259.9487 2.4E4 310.9495 6.2E3 311.1694 4.2E4 316.9406 2.4E3 END IONS BEGIN IONS FEATURE_ID=42 PEPMASS=85.0118 SCANS=42 RTINSECONDS=46.384 CHARGE=1- MSLEVEL=2 57.9921 2.8E5 58.1552 2.2E4 66.5747 1.7E4 73.7104 2.1E4 85.0027 5.4E6 85.0133 3.9E4 91.7030 1.9E4 96.8861 3.5E4 96.8915 2.3E4 END IONS BEGIN IONS FEATURE_ID=43 PEPMASS=104.0318 SCANS=43 RTINSECONDS=46.739 CHARGE=1- MSLEVEL=2 63.8580 5.0E3 67.2975 4.6E3 71.6205 6.6E3 78.5506 5.8E3 86.0026 4.9E3 88.4176 4.8E3 104.0239 1.9E4 END IONS BEGIN IONS FEATURE_ID=44 PEPMASS=103.0158 SCANS=44 RTINSECONDS=47.018 CHARGE=1- MSLEVEL=2 51.5161 2.0E3 59.0124 8.3E4 60.4603 2.1E3 75.0680 2.5E3 76.0051 1.5E4 103.0160 3.9E4 112.3752 2.5E3 END IONS BEGIN IONS FEATURE_ID=45 PEPMASS=84.9975 SCANS=45 RTINSECONDS=47.558 CHARGE=1- MSLEVEL=2 57.9921 3.3E5 59.2407 2.5E4 60.0019 2.1E4 65.5240 2.6E4 72.3791 2.1E4 85.0028 7.8E6 85.0135 4.9E4 94.8832 2.3E4 96.8884 3.3E4 END IONS BEGIN IONS FEATURE_ID=46 PEPMASS=104.0295 SCANS=46 RTINSECONDS=48.13 CHARGE=1- MSLEVEL=2 51.2416 3.8E3 57.8762 3.3E3 58.9240 3.6E3 95.2894 3.5E3 95.6217 3.9E3 98.6957 3.9E3 104.0240 9.6E3 114.8984 4.1E3 END IONS BEGIN IONS FEATURE_ID=47 PEPMASS=173.0683 SCANS=47 RTINSECONDS=48.622 CHARGE=1- MSLEVEL=2 51.5685 2.2E3 57.0290 1.3E4 59.0079 4.0E3 60.4333 2.2E3 66.9923 2.2E3 68.9892 2.6E3 73.6890 2.1E3 82.0279 2.3E3 83.0379 4.1E3 83.0426 4.4E4 85.4362 2.8E3 99.9169 4.8E4 100.9249 1.4E4 102.9908 3.4E3 104.9866 2.0E4 109.0567 6.4E3 110.9992 6.8E3 111.0720 4.1E5 112.0752 2.4E4 115.9108 3.0E4 116.9105 2.5E3 116.9185 4.2E4 121.4774 2.0E3 124.9923 6.4E3 127.1018 3.1E3 127.4810 2.4E3 129.0814 2.2E4 129.9254 2.5E3 132.9797 2.6E4 139.2728 2.8E3 152.9846 3.4E4 172.9897 5.0E3 173.0685 1.3E5 173.1033 3.9E3 174.0579 2.5E3 174.0705 1.1E4 END IONS BEGIN IONS FEATURE_ID=48 PEPMASS=103.0135 SCANS=48 RTINSECONDS=48.749 CHARGE=1- MSLEVEL=2 59.0126 2.6E5 64.4589 2.1E3 65.6111 2.1E3 76.0050 2.6E4 76.9569 2.2E3 86.3973 2.0E3 86.6696 2.1E3 92.3393 2.3E3 95.3275 2.0E3 96.8864 1.8E3 103.0162 8.0E4 103.0278 1.9E3 103.0381 2.4E3 111.8217 2.0E3 END IONS BEGIN IONS FEATURE_ID=49 PEPMASS=104.0271 SCANS=49 RTINSECONDS=49.148 CHARGE=1- MSLEVEL=2 50.0022 6.1E3 51.5338 7.4E3 60.0156 7.6E3 68.7468 5.9E3 96.8884 7.1E3 104.0243 1.5E4 124.3608 7.1E3 END IONS BEGIN IONS FEATURE_ID=50 PEPMASS=104.0295 SCANS=50 RTINSECONDS=49.536 CHARGE=1- MSLEVEL=2 50.4445 4.5E3 51.5333 4.2E3 54.5862 4.0E3 63.3198 4.1E3 66.9216 4.0E3 68.3451 3.6E3 69.0749 3.5E3 73.5440 3.8E3 96.8891 1.0E4 104.0238 1.3E4 118.3159 4.1E3 END IONS BEGIN IONS FEATURE_ID=51 PEPMASS=186.0991 SCANS=51 RTINSECONDS=51.065 CHARGE=1- MSLEVEL=2 52.4745 2.1E3 53.3863 2.3E3 57.0289 3.2E4 68.9891 3.2E3 69.0280 3.6E3 70.9872 4.2E3 71.0434 2.8E3 83.0428 3.0E3 87.9172 3.8E3 92.9875 1.2E4 95.0419 2.6E3 96.8964 3.7E3 97.0573 1.3E5 97.5664 2.5E3 97.9616 1.2E4 98.0608 5.9E3 98.9965 4.8E3 99.9170 6.7E3 102.9912 4.9E3 115.9109 4.1E3 116.9852 1.2E4 117.9188 3.6E3 118.9168 4.9E3 119.9220 5.2E3 123.0713 4.8E4 124.0746 2.5E3 125.0867 1.2E6 125.1056 9.1E3 126.0900 7.5E4 126.9893 5.3E3 138.9882 3.1E3 142.1120 4.2E4 142.8862 3.0E3 143.0959 8.7E3 143.1153 2.7E3 146.9945 1.1E4 158.8800 3.9E3 158.9745 3.3E3 166.9794 1.3E4 166.9999 5.2E3 168.0897 2.3E4 178.0580 3.3E3 186.0991 7.2E5 186.8412 4.4E3 186.9677 1.4E4 186.9848 1.1E4 187.0831 2.1E4 187.1022 5.6E4 187.1183 2.3E3 END IONS BEGIN IONS FEATURE_ID=52 PEPMASS=84.9950 SCANS=52 RTINSECONDS=51.256 CHARGE=1- MSLEVEL=2 57.9922 2.4E5 71.7042 2.2E4 85.0029 5.8E6 87.8961 2.3E4 96.8877 4.4E4 END IONS BEGIN IONS FEATURE_ID=53 PEPMASS=84.9939 SCANS=53 RTINSECONDS=51.774 CHARGE=1- MSLEVEL=2 51.5209 2.6E4 57.9921 3.3E5 68.8832 2.2E4 80.1761 2.3E4 85.0029 7.5E6 85.0135 4.4E4 88.1924 2.3E4 96.8882 2.8E4 103.7606 2.1E4 END IONS BEGIN IONS FEATURE_ID=54 PEPMASS=84.9973 SCANS=54 RTINSECONDS=52.099 CHARGE=1- MSLEVEL=2 57.1622 2.4E4 57.9921 3.8E5 61.8720 2.4E4 63.5179 2.7E4 68.0000 3.7E4 83.2556 2.3E4 85.0029 7.1E6 85.0135 3.4E4 91.9714 3.0E4 96.8888 4.5E4 99.1558 2.7E4 END IONS BEGIN IONS FEATURE_ID=55 PEPMASS=102.0126 SCANS=55 RTINSECONDS=52.396 CHARGE=1- MSLEVEL=2 79.5436 2.4E3 96.8888 3.8E3 97.8138 2.4E3 102.0081 3.2E4 END IONS BEGIN IONS FEATURE_ID=56 PEPMASS=267.0284 SCANS=56 RTINSECONDS=52.524 CHARGE=1- MSLEVEL=2 58.6156 2.4E3 64.0181 2.5E3 96.8880 4.3E3 99.6943 2.4E3 136.8511 2.5E3 167.0492 2.7E3 211.0394 8.6E3 223.0398 3.3E3 239.0347 1.9E4 266.0216 3.6E4 266.9702 4.5E3 266.9786 3.5E3 267.0295 8.3E5 END IONS BEGIN IONS FEATURE_ID=57 PEPMASS=109.9976 SCANS=57 RTINSECONDS=52.742 CHARGE=1- MSLEVEL=2 51.5115 1.8E3 55.2648 2.0E3 64.0054 6.1E4 65.1427 2.1E3 68.8940 2.0E3 75.8883 1.9E3 79.9999 3.6E3 96.8878 3.4E3 109.9980 9.4E4 110.0346 3.7E3 END IONS BEGIN IONS FEATURE_ID=58 PEPMASS=141.0183 SCANS=58 RTINSECONDS=53.648 CHARGE=1- MSLEVEL=2 57.0333 2.5E3 59.0125 2.0E3 65.0134 5.1E3 68.9964 1.4E4 69.0330 3.8E3 71.0124 2.1E4 72.9917 2.8E3 73.0283 1.0E4 77.3095 2.1E3 79.1673 2.4E3 85.0281 1.3E4 90.0090 2.1E3 90.3983 2.0E3 96.8860 3.2E3 96.8914 2.9E3 98.9977 2.6E3 99.0071 1.8E5 101.3472 2.6E3 102.1057 2.1E3 113.0231 9.9E3 114.0082 5.6E4 127.9303 6.2E3 140.9386 5.1E3 141.0189 6.6E4 END IONS BEGIN IONS FEATURE_ID=59 PEPMASS=99.0067 SCANS=59 RTINSECONDS=53.667 CHARGE=1- MSLEVEL=2 50.0029 2.4E3 51.7292 1.9E3 71.0123 1.9E4 72.9917 9.4E3 82.4093 2.2E3 98.9542 5.0E3 99.0071 2.2E4 99.0181 2.7E4 END IONS BEGIN IONS FEATURE_ID=60 PEPMASS=103.0130 SCANS=60 RTINSECONDS=53.889 CHARGE=1- MSLEVEL=2 53.3678 2.4E3 59.0125 2.0E5 60.9525 2.0E3 76.0050 2.6E4 96.8888 9.5E3 103.0160 6.4E4 103.0276 2.2E3 106.2355 1.9E3 120.0274 2.2E3 END IONS BEGIN IONS FEATURE_ID=61 PEPMASS=104.0318 SCANS=61 RTINSECONDS=54.086 CHARGE=1- MSLEVEL=2 51.5153 5.1E3 57.7145 4.3E3 60.5526 4.3E3 65.9034 4.9E3 86.5764 5.1E3 96.8870 9.2E3 104.0240 1.5E4 119.3021 4.5E3 END IONS BEGIN IONS FEATURE_ID=62 PEPMASS=163.0238 SCANS=62 RTINSECONDS=54.31 CHARGE=1- MSLEVEL=2 53.1953 2.2E3 55.3003 2.0E3 61.3839 2.4E3 61.4491 2.0E3 65.0131 8.5E5 68.4059 2.1E3 80.8879 2.1E3 96.8912 3.5E3 102.9722 2.6E3 118.9910 3.5E3 162.8385 9.3E3 END IONS BEGIN IONS FEATURE_ID=63 PEPMASS=310.9456 SCANS=63 RTINSECONDS=55.057 CHARGE=9- MSLEVEL=2 191.9460 9.1E3 259.9485 8.2E3 281.0073 3.1E3 296.0330 1.1E4 311.0567 1.2E4 311.1677 2.8E4 741.1240 2.8E3 1799.5120 3.0E3 END IONS BEGIN IONS FEATURE_ID=64 PEPMASS=172.0843 SCANS=64 RTINSECONDS=56.033 CHARGE=1- MSLEVEL=2 51.5444 2.9E3 57.0289 1.9E4 58.0241 4.9E3 60.4910 2.7E3 66.9925 2.5E3 78.8886 2.3E3 81.0270 4.6E3 82.9866 3.5E3 83.0426 6.4E4 84.0461 4.0E3 89.0099 2.4E3 92.9877 3.0E3 96.8937 2.9E3 99.9171 8.5E3 100.9176 2.8E3 102.9907 3.2E3 104.9865 2.6E4 107.5398 2.5E3 109.0565 8.1E3 110.9992 8.2E3 111.0562 3.2E3 111.0720 6.3E5 112.0751 3.5E4 114.9238 5.6E3 115.9108 4.8E3 124.9916 4.2E3 127.1020 2.8E3 128.0885 4.6E3 128.0973 5.3E4 129.0815 2.0E4 132.9796 3.1E4 134.8546 3.8E3 152.9846 3.5E4 153.0038 3.6E3 154.0745 1.5E4 155.0592 3.5E3 158.5701 2.3E3 171.9330 3.4E3 172.0843 3.5E5 172.9901 8.1E3 173.0684 1.6E4 173.0877 3.0E4 178.3890 3.3E3 END IONS BEGIN IONS FEATURE_ID=65 PEPMASS=104.0295 SCANS=65 RTINSECONDS=56.485 CHARGE=1- MSLEVEL=2 52.1528 6.6E3 54.6480 7.3E3 56.3325 7.4E3 76.0256 7.3E3 82.6785 7.9E3 96.8877 8.8E3 104.0241 2.3E4 121.5279 7.7E3 END IONS BEGIN IONS FEATURE_ID=66 PEPMASS=85.0120 SCANS=66 RTINSECONDS=56.847 CHARGE=1- MSLEVEL=2 56.8924 2.6E4 57.9921 3.2E5 85.0028 7.1E6 85.0135 4.7E4 96.8887 3.9E4 END IONS BEGIN IONS FEATURE_ID=67 PEPMASS=85.0084 SCANS=67 RTINSECONDS=56.952 CHARGE=1- MSLEVEL=2 50.8573 2.0E4 54.3055 1.8E4 57.9922 3.4E5 64.6154 2.3E4 71.6175 1.9E4 84.9926 3.6E4 84.9940 2.6E4 85.0029 7.5E6 95.9752 2.0E4 100.3988 2.2E4 END IONS BEGIN IONS FEATURE_ID=68 PEPMASS=84.9961 SCANS=68 RTINSECONDS=57.181 CHARGE=1- MSLEVEL=2 51.5308 2.0E4 56.0673 1.8E4 57.9920 2.5E5 69.7114 2.0E4 78.7649 2.1E4 79.1380 2.0E4 85.0029 5.6E6 85.0134 3.9E4 90.8303 1.8E4 96.8882 2.1E4 END IONS BEGIN IONS FEATURE_ID=69 PEPMASS=84.9976 SCANS=69 RTINSECONDS=57.945 CHARGE=1- MSLEVEL=2 52.9098 2.5E4 52.9923 2.2E4 56.4399 2.2E4 57.9920 4.5E5 58.5007 2.6E4 66.4588 2.4E4 68.0004 3.0E4 81.9451 2.3E4 84.0086 2.5E4 85.0028 9.0E6 85.0133 4.4E4 96.8902 3.6E4 END IONS BEGIN IONS FEATURE_ID=70 PEPMASS=84.9976 SCANS=70 RTINSECONDS=57.985 CHARGE=1- MSLEVEL=2 51.3474 2.0E4 51.5160 2.0E4 52.1597 1.9E4 57.9922 3.2E5 68.0004 2.2E4 77.9184 2.2E4 85.0029 6.4E6 88.0722 2.2E4 96.8889 2.4E4 END IONS BEGIN IONS FEATURE_ID=71 PEPMASS=145.0485 SCANS=71 RTINSECONDS=58.065 CHARGE=1- MSLEVEL=2 52.3758 2.1E3 55.4640 2.2E3 56.5608 2.0E3 57.3134 1.9E3 60.4817 2.0E3 66.1119 2.3E3 67.0543 2.0E3 83.0486 1.8E4 97.9524 2.0E3 101.0592 9.9E4 112.0813 2.3E3 127.0391 3.5E3 145.0134 2.6E3 145.0250 3.2E3 145.0493 2.5E4 153.6031 2.5E3 END IONS BEGIN IONS FEATURE_ID=72 PEPMASS=104.0279 SCANS=72 RTINSECONDS=58.187 CHARGE=1- MSLEVEL=2 51.5084 5.8E3 53.2826 6.3E3 58.0733 5.2E3 63.4355 5.2E3 68.3874 5.8E3 73.3990 5.4E3 74.0546 5.3E3 74.4342 5.3E3 92.0295 6.7E3 104.0242 1.8E4 END IONS BEGIN IONS FEATURE_ID=73 PEPMASS=104.0316 SCANS=73 RTINSECONDS=58.831 CHARGE=1- MSLEVEL=2 51.4627 7.0E3 51.5234 7.7E3 54.5957 8.5E3 56.1057 7.5E3 60.0159 7.6E3 60.5541 6.4E3 61.4937 8.9E3 61.7314 5.9E3 62.4278 7.1E3 62.9000 6.4E3 69.5085 7.0E3 70.4971 7.5E3 71.1460 6.4E3 96.8882 1.1E4 104.0240 1.3E4 111.7597 7.0E3 END IONS BEGIN IONS FEATURE_ID=74 PEPMASS=128.0105 SCANS=74 RTINSECONDS=59.331 CHARGE=1- MSLEVEL=2 51.5245 2.9E3 70.1073 2.1E3 73.3496 2.0E3 76.0051 7.3E3 90.7883 2.4E3 92.3662 2.1E3 96.8896 3.1E3 102.0079 4.6E3 128.0110 3.3E5 END IONS BEGIN IONS FEATURE_ID=75 PEPMASS=310.9468 SCANS=75 RTINSECONDS=59.396 CHARGE=1- MSLEVEL=2 51.5014 3.0E3 53.9177 2.4E3 60.3443 2.2E3 60.4666 2.0E3 64.8958 2.2E3 83.9947 1.4E4 85.0027 7.2E4 87.9238 7.7E3 96.8876 9.9E3 96.8954 2.3E3 101.8668 2.3E3 102.9346 4.4E3 103.9190 5.7E3 104.9266 7.8E3 105.9342 7.6E3 106.2087 2.5E3 106.9420 2.4E3 111.9347 3.1E3 113.2030 2.7E3 115.9422 3.5E4 123.9444 2.7E4 124.9427 3.0E3 128.9382 9.5E3 129.9449 2.3E3 140.9379 3.3E3 147.9570 3.3E3 148.9406 5.3E3 150.1266 2.4E3 173.9351 4.3E3 181.2829 2.2E3 183.9444 1.1E4 191.9462 2.0E4 194.5005 2.4E3 241.9392 2.6E3 242.9465 7.5E3 243.9534 6.1E3 259.9467 2.9E4 310.9478 6.1E3 311.1694 4.0E4 END IONS BEGIN IONS FEATURE_ID=76 PEPMASS=103.0138 SCANS=76 RTINSECONDS=59.801 CHARGE=1- MSLEVEL=2 57.0332 4.8E3 58.0244 2.8E3 59.0126 3.2E5 63.7145 1.9E3 67.3599 2.1E3 76.0052 4.0E4 84.1204 1.9E3 88.0051 2.9E3 96.8877 3.0E3 103.0162 8.8E4 103.0280 3.5E3 121.5507 2.6E3 END IONS BEGIN IONS FEATURE_ID=77 PEPMASS=93.0077 SCANS=77 RTINSECONDS=60.326 CHARGE=1- MSLEVEL=2 51.5346 2.6E3 56.2958 2.1E3 56.7945 2.0E3 64.0051 1.8E4 65.0131 2.9E5 65.9970 1.3E5 66.0090 2.2E3 66.0162 6.4E3 75.0755 2.1E3 92.9959 3.4E3 93.0079 6.1E5 93.0190 1.7E4 93.0268 4.7E3 96.8892 3.0E3 END IONS BEGIN IONS FEATURE_ID=78 PEPMASS=90.0078 SCANS=78 RTINSECONDS=60.394 CHARGE=1- MSLEVEL=2 77.8513 2.1E3 90.0082 2.9E5 94.3082 2.1E3 96.8897 3.5E3 98.9296 2.0E3 END IONS BEGIN IONS FEATURE_ID=79 PEPMASS=102.0118 SCANS=79 RTINSECONDS=60.623 CHARGE=1- MSLEVEL=2 52.1036 2.8E3 53.0921 2.3E3 68.0249 2.7E3 71.9539 3.6E3 91.4763 2.4E3 92.6026 2.2E3 96.6159 2.3E3 96.8875 2.5E3 102.0080 3.4E4 107.0304 2.5E3 107.4852 2.6E3 113.7034 2.7E3 END IONS BEGIN IONS FEATURE_ID=80 PEPMASS=104.0272 SCANS=80 RTINSECONDS=60.663 CHARGE=1- MSLEVEL=2 50.4415 4.9E3 51.1074 4.4E3 53.3393 4.6E3 55.1482 4.4E3 56.0036 4.8E3 56.2251 4.3E3 57.7924 3.9E3 57.9360 3.9E3 58.6387 3.8E3 58.7869 3.7E3 59.0127 5.1E3 60.0126 4.8E3 60.2846 3.9E3 61.8766 4.1E3 62.7504 4.3E3 64.2580 3.7E3 64.2803 4.5E3 65.4141 4.9E3 65.8463 4.5E3 65.8690 4.8E3 66.6001 4.9E3 66.6999 4.0E3 67.0120 4.3E3 67.0207 5.4E3 68.2305 4.5E3 68.3271 4.3E3 71.1470 4.5E3 71.6618 5.0E3 73.6481 4.7E3 75.0320 4.7E3 76.5729 4.0E3 76.7493 4.2E3 76.9926 5.5E3 82.5277 4.0E3 83.7150 4.4E3 90.3503 4.2E3 93.3692 4.4E3 93.5332 4.0E3 94.1251 4.3E3 94.4947 4.3E3 96.8871 5.1E3 96.9714 3.9E3 97.9511 4.6E3 99.1623 4.5E3 99.4158 5.2E3 103.3450 4.8E3 104.0241 1.7E4 104.0961 4.1E3 109.0748 5.1E3 109.2776 4.2E3 109.7877 4.0E3 109.8484 4.0E3 110.7506 4.5E3 111.0563 4.3E3 111.6158 5.1E3 112.8831 5.1E3 113.1494 4.5E3 113.7478 4.0E3 115.0932 4.0E3 115.1304 4.3E3 123.8903 5.0E3 124.2666 4.4E3 END IONS BEGIN IONS FEATURE_ID=81 PEPMASS=84.9943 SCANS=81 RTINSECONDS=61.077 CHARGE=1- MSLEVEL=2 57.4204 2.5E4 57.9921 4.0E5 60.4582 3.0E4 64.9474 2.2E4 66.4949 2.2E4 76.6932 2.3E4 80.1743 2.4E4 85.0028 7.7E6 END IONS BEGIN IONS FEATURE_ID=82 PEPMASS=85.0058 SCANS=82 RTINSECONDS=61.674 CHARGE=1- MSLEVEL=2 55.8539 2.9E4 57.9921 3.9E5 67.9999 4.0E4 85.0029 8.5E6 85.0135 5.1E4 92.5684 3.1E4 96.8890 3.6E4 END IONS BEGIN IONS FEATURE_ID=83 PEPMASS=104.0295 SCANS=83 RTINSECONDS=61.896 CHARGE=1- MSLEVEL=2 51.1435 9.8E3 58.6055 1.1E4 60.4727 1.1E4 62.2837 1.4E4 71.9646 1.3E4 91.6383 9.6E3 96.8907 1.6E4 100.7838 1.2E4 104.0237 2.0E4 120.1956 1.0E4 END IONS BEGIN IONS FEATURE_ID=84 PEPMASS=163.0239 SCANS=84 RTINSECONDS=62.403 CHARGE=1- MSLEVEL=2 53.1663 2.1E3 53.5677 1.9E3 53.8574 2.3E3 55.8020 2.2E3 64.6315 1.9E3 65.0061 3.2E3 65.0132 5.7E5 65.0204 3.0E3 93.9492 2.3E3 107.8549 2.4E3 118.9913 3.0E3 119.0484 4.4E4 136.4955 2.2E3 158.7954 2.1E3 162.8377 1.3E4 163.0393 5.2E3 176.3652 2.4E3 END IONS BEGIN IONS FEATURE_ID=85 PEPMASS=103.0157 SCANS=85 RTINSECONDS=62.5 CHARGE=1- MSLEVEL=2 51.5359 2.4E3 59.0123 7.6E4 59.3584 1.9E3 75.1388 2.6E3 76.0049 2.8E4 76.7678 1.9E3 87.2967 1.8E3 93.0869 1.9E3 103.0159 5.2E4 103.0280 3.4E3 103.8100 2.1E3 114.5351 2.3E3 120.0307 2.1E3 124.1151 2.2E3 END IONS BEGIN IONS FEATURE_ID=86 PEPMASS=109.9975 SCANS=86 RTINSECONDS=62.527 CHARGE=1- MSLEVEL=2 64.0053 7.6E4 65.6777 1.8E3 68.0126 2.2E3 70.5765 2.0E3 80.0000 4.7E3 90.1054 2.1E3 96.8888 4.4E3 97.1329 1.9E3 100.6711 2.2E3 106.7391 2.1E3 109.9979 9.4E4 110.0344 5.6E3 122.4831 2.0E3 END IONS BEGIN IONS FEATURE_ID=87 PEPMASS=102.0085 SCANS=87 RTINSECONDS=62.692 CHARGE=1- MSLEVEL=2 53.7844 4.0E3 54.3594 4.2E3 85.4851 4.6E3 96.2931 4.0E3 96.8876 8.2E3 102.0080 5.1E4 116.9767 4.1E3 END IONS BEGIN IONS FEATURE_ID=88 PEPMASS=103.0150 SCANS=88 RTINSECONDS=62.724 CHARGE=1- MSLEVEL=2 56.1272 2.2E3 59.0126 2.5E5 71.2141 2.5E3 76.0051 3.5E4 96.8890 2.4E3 103.0162 9.5E4 103.0281 3.2E3 END IONS BEGIN IONS FEATURE_ID=89 PEPMASS=104.0201 SCANS=89 RTINSECONDS=62.952 CHARGE=1- MSLEVEL=2 60.3461 8.0E3 60.4758 7.9E3 61.4802 7.3E3 69.6180 7.5E3 104.0241 1.9E4 109.2417 6.8E3 113.0310 6.8E3 END IONS BEGIN IONS FEATURE_ID=90 PEPMASS=102.0123 SCANS=90 RTINSECONDS=63.256 CHARGE=1- MSLEVEL=2 59.1940 1.8E3 85.9421 1.9E3 89.3254 1.9E3 101.9320 2.2E3 102.0081 3.4E4 115.2850 2.2E3 END IONS BEGIN IONS FEATURE_ID=91 PEPMASS=103.0125 SCANS=91 RTINSECONDS=63.415 CHARGE=1- MSLEVEL=2 50.8257 2.1E3 59.0124 1.4E5 60.6158 2.1E3 62.4401 2.0E3 62.5012 1.8E3 68.5914 2.0E3 76.0048 3.4E4 78.8265 1.9E3 96.8892 4.2E3 103.0160 8.2E4 103.0280 2.3E3 END IONS BEGIN IONS FEATURE_ID=92 PEPMASS=105.0265 SCANS=92 RTINSECONDS=63.653 CHARGE=1- MSLEVEL=2 51.5221 2.2E3 51.5250 2.1E3 53.6918 2.2E3 54.7537 2.0E3 60.4685 1.8E3 61.0166 2.2E3 62.0119 2.2E3 74.7336 2.3E3 91.9788 2.2E3 92.1026 1.9E3 96.8901 4.1E3 104.0813 1.8E3 105.0268 2.4E3 END IONS BEGIN IONS FEATURE_ID=93 PEPMASS=84.9974 SCANS=93 RTINSECONDS=63.774 CHARGE=1- MSLEVEL=2 51.2618 2.7E4 51.5264 2.8E4 57.9921 5.1E5 68.0004 2.9E4 83.5263 2.7E4 85.0028 9.8E6 85.0134 6.0E4 96.8863 2.5E4 102.5386 2.4E4 END IONS BEGIN IONS FEATURE_ID=94 PEPMASS=141.0185 SCANS=94 RTINSECONDS=64.036 CHARGE=1- MSLEVEL=2 55.2917 2.0E3 57.5040 1.9E3 65.0131 1.8E4 68.0481 2.1E3 90.0077 3.8E3 96.8893 2.5E3 114.0081 1.3E5 127.9298 9.0E3 140.9382 4.3E3 141.0190 1.0E5 151.9639 2.3E3 END IONS BEGIN IONS FEATURE_ID=95 PEPMASS=85.0120 SCANS=95 RTINSECONDS=65.265 CHARGE=1- MSLEVEL=2 57.9922 5.5E5 61.3897 2.6E4 68.0003 4.9E4 71.1131 2.8E4 85.0029 1.1E7 96.8904 5.3E4 END IONS BEGIN IONS FEATURE_ID=96 PEPMASS=102.0083 SCANS=96 RTINSECONDS=65.577 CHARGE=1- MSLEVEL=2 52.9186 2.0E3 61.7697 2.0E3 67.2486 2.1E3 87.6769 1.8E3 98.6930 2.0E3 102.0083 1.8E4 102.9018 2.0E3 117.6023 2.1E3 117.6225 2.4E3 END IONS BEGIN IONS FEATURE_ID=97 PEPMASS=84.9959 SCANS=97 RTINSECONDS=65.873 CHARGE=1- MSLEVEL=2 57.9920 3.8E5 60.4636 3.2E4 85.0028 8.0E6 96.8873 3.1E4 END IONS BEGIN IONS FEATURE_ID=98 PEPMASS=219.0130 SCANS=98 RTINSECONDS=65.896 CHARGE=1- MSLEVEL=2 51.2113 2.0E3 57.0335 1.0E4 59.0118 2.5E3 67.0495 1.9E3 71.0122 1.7E4 72.9915 2.3E3 73.0280 2.4E3 83.0125 5.4E3 85.0280 7.0E3 96.8872 4.1E3 99.0072 2.0E4 111.0072 1.3E4 112.9864 4.7E3 113.4965 2.3E3 120.0148 2.2E3 123.2596 2.1E3 129.0177 1.3E4 132.8732 2.2E3 167.2263 2.4E3 173.2075 2.3E3 173.9373 2.2E3 191.2695 2.5E3 END IONS BEGIN IONS FEATURE_ID=99 PEPMASS=104.0318 SCANS=99 RTINSECONDS=66.054 CHARGE=1- MSLEVEL=2 60.3461 8.0E3 60.4758 7.9E3 61.4802 7.3E3 69.6180 7.5E3 104.0241 1.9E4 109.2417 6.8E3 113.0310 6.8E3 END IONS BEGIN IONS FEATURE_ID=100 PEPMASS=219.0141 SCANS=100 RTINSECONDS=66.416 CHARGE=1- MSLEVEL=2 55.0180 2.7E3 57.0332 1.6E4 67.0175 2.7E3 68.9970 2.2E3 71.0123 2.0E4 73.0280 5.5E3 83.0123 6.0E3 85.0278 8.6E3 96.8878 3.2E3 97.2438 2.1E3 99.0073 3.0E4 101.6465 2.1E3 107.4835 2.4E3 111.0074 1.7E4 129.0177 2.2E4 180.0937 2.6E3 205.7433 2.2E3 END IONS BEGIN IONS FEATURE_ID=101 PEPMASS=102.0140 SCANS=101 RTINSECONDS=66.875 CHARGE=1- MSLEVEL=2 59.6602 2.2E3 60.5136 2.3E3 63.0570 2.1E3 83.1184 1.9E3 96.8904 3.3E3 102.0081 3.1E4 111.4367 2.0E3 112.0829 2.4E3 END IONS BEGIN IONS FEATURE_ID=102 PEPMASS=84.9936 SCANS=102 RTINSECONDS=67.314 CHARGE=1- MSLEVEL=2 51.0830 2.7E4 57.8550 2.6E4 57.9921 4.5E5 67.7301 2.6E4 68.0001 3.1E4 85.0029 8.3E6 85.0135 3.6E4 96.8880 2.9E4 END IONS BEGIN IONS FEATURE_ID=103 PEPMASS=104.0295 SCANS=103 RTINSECONDS=68.753 CHARGE=1- MSLEVEL=2 50.4415 4.9E3 51.1074 4.4E3 53.3393 4.6E3 55.1482 4.4E3 56.0036 4.8E3 56.2251 4.3E3 57.7924 3.9E3 57.9360 3.9E3 58.6387 3.8E3 58.7869 3.7E3 59.0127 5.1E3 60.0126 4.8E3 60.2846 3.9E3 61.8766 4.1E3 62.7504 4.3E3 64.2580 3.7E3 64.2803 4.5E3 65.4141 4.9E3 65.8463 4.5E3 65.8690 4.8E3 66.6001 4.9E3 66.6999 4.0E3 67.0120 4.3E3 67.0207 5.4E3 68.2305 4.5E3 68.3271 4.3E3 71.1470 4.5E3 71.6618 5.0E3 73.6481 4.7E3 75.0320 4.7E3 76.5729 4.0E3 76.7493 4.2E3 76.9926 5.5E3 82.5277 4.0E3 83.7150 4.4E3 90.3503 4.2E3 93.3692 4.4E3 93.5332 4.0E3 94.1251 4.3E3 94.4947 4.3E3 96.8871 5.1E3 96.9714 3.9E3 97.9511 4.6E3 99.1623 4.5E3 99.4158 5.2E3 103.3450 4.8E3 104.0241 1.7E4 104.0961 4.1E3 109.0748 5.1E3 109.2776 4.2E3 109.7877 4.0E3 109.8484 4.0E3 110.7506 4.5E3 111.0563 4.3E3 111.6158 5.1E3 112.8831 5.1E3 113.1494 4.5E3 113.7478 4.0E3 115.0932 4.0E3 115.1304 4.3E3 123.8903 5.0E3 124.2666 4.4E3 END IONS BEGIN IONS FEATURE_ID=104 PEPMASS=84.9971 SCANS=104 RTINSECONDS=69.458 CHARGE=1- MSLEVEL=2 57.9920 4.4E5 65.0681 2.9E4 68.0000 2.9E4 77.3403 2.6E4 79.2594 2.8E4 85.0028 7.3E6 86.4032 2.2E4 96.8898 3.6E4 END IONS BEGIN IONS FEATURE_ID=105 PEPMASS=102.0147 SCANS=105 RTINSECONDS=69.719 CHARGE=1- MSLEVEL=2 50.4110 2.3E3 67.6909 2.2E3 79.7134 2.4E3 85.1943 2.8E3 92.7388 2.7E3 102.0082 4.6E4 107.4757 2.5E3 END IONS BEGIN IONS FEATURE_ID=106 PEPMASS=103.0137 SCANS=106 RTINSECONDS=69.897 CHARGE=1- MSLEVEL=2 51.5178 2.4E3 54.9413 1.8E3 59.0126 3.1E5 68.2635 2.5E3 76.0051 3.2E4 88.0040 2.3E3 96.8864 2.2E3 103.0161 8.5E4 103.0276 2.5E3 110.6334 2.0E3 END IONS BEGIN IONS FEATURE_ID=107 PEPMASS=104.0272 SCANS=107 RTINSECONDS=70.225 CHARGE=1- MSLEVEL=2 51.5595 9.9E3 87.6356 1.2E4 96.8855 1.2E4 96.8912 2.6E4 104.0241 2.1E4 107.2935 1.2E4 117.4918 1.1E4 END IONS BEGIN IONS FEATURE_ID=108 PEPMASS=102.0117 SCANS=108 RTINSECONDS=70.654 CHARGE=1- MSLEVEL=2 56.4465 2.7E3 67.1326 2.7E3 73.1880 4.7E3 94.6943 3.0E3 96.8876 1.3E4 102.0081 4.7E4 107.7000 3.2E3 115.0499 2.8E3 END IONS BEGIN IONS FEATURE_ID=109 PEPMASS=103.0154 SCANS=109 RTINSECONDS=71.015 CHARGE=1- MSLEVEL=2 50.8520 2.0E3 52.6290 1.9E3 59.0125 1.6E5 60.0302 1.8E3 67.7156 2.0E3 74.1542 2.0E3 76.0051 2.9E4 83.8242 2.0E3 86.8175 2.0E3 93.3002 1.9E3 96.8890 3.7E3 100.4929 2.0E3 101.0209 2.3E3 103.0060 2.0E3 103.0162 8.2E4 103.0280 3.6E3 108.1657 2.1E3 END IONS BEGIN IONS FEATURE_ID=110 PEPMASS=103.0139 SCANS=110 RTINSECONDS=71.119 CHARGE=1- MSLEVEL=2 50.0729 2.0E3 57.2738 2.0E3 58.3505 1.8E3 59.0082 2.9E3 59.0089 3.6E3 59.0125 2.0E5 65.7875 2.1E3 76.0052 2.1E4 93.2802 2.2E3 96.8882 3.0E3 98.0172 2.8E3 103.0161 6.9E4 103.0271 2.6E3 END IONS BEGIN IONS FEATURE_ID=111 PEPMASS=84.9975 SCANS=111 RTINSECONDS=71.501 CHARGE=1- MSLEVEL=2 54.0928 2.6E4 54.4179 2.4E4 57.9921 4.9E5 68.0002 3.2E4 71.9448 3.1E4 85.0028 1.0E7 85.0136 5.8E4 89.5451 2.7E4 END IONS BEGIN IONS FEATURE_ID=112 PEPMASS=163.0239 SCANS=112 RTINSECONDS=71.528 CHARGE=1- MSLEVEL=2 52.4925 2.3E3 65.0061 8.2E3 65.0132 1.2E6 65.0188 7.2E3 65.0203 8.5E3 66.7248 2.1E3 88.2144 2.2E3 91.5067 2.2E3 118.9909 6.7E3 END IONS BEGIN IONS FEATURE_ID=113 PEPMASS=104.0328 SCANS=113 RTINSECONDS=71.667 CHARGE=1- MSLEVEL=2 51.0079 8.7E3 53.0077 7.4E3 59.7381 8.4E3 67.2972 8.6E3 73.6555 8.3E3 96.8912 8.7E3 104.0238 2.8E4 END IONS BEGIN IONS FEATURE_ID=114 PEPMASS=84.9941 SCANS=114 RTINSECONDS=72.157 CHARGE=1- MSLEVEL=2 57.9921 5.3E5 85.0029 1.0E7 85.0135 6.3E4 96.8895 4.2E4 END IONS BEGIN IONS FEATURE_ID=115 PEPMASS=85.0058 SCANS=115 RTINSECONDS=73.7 CHARGE=1- MSLEVEL=2 51.3292 2.1E4 51.5118 2.5E4 56.2046 2.3E4 57.9921 3.3E5 59.6257 2.2E4 62.8210 2.2E4 85.0029 7.6E6 85.0135 3.8E4 88.2615 2.1E4 89.2461 2.3E4 96.8888 3.2E4 END IONS BEGIN IONS FEATURE_ID=116 PEPMASS=130.0486 SCANS=116 RTINSECONDS=74.439 CHARGE=1- MSLEVEL=2 51.0247 2.1E3 53.2558 2.3E3 53.7093 1.9E3 63.2733 2.1E3 75.8743 2.0E3 77.9118 2.1E3 88.0388 2.1E4 103.0289 7.7E3 130.0396 4.5E4 END IONS BEGIN IONS FEATURE_ID=117 PEPMASS=104.0320 SCANS=117 RTINSECONDS=74.981 CHARGE=1- MSLEVEL=2 52.3475 6.3E3 59.4161 6.0E3 60.9236 8.3E3 62.2433 6.5E3 96.8900 8.6E3 104.0242 1.9E4 114.0899 7.0E3 END IONS BEGIN IONS FEATURE_ID=118 PEPMASS=104.0201 SCANS=118 RTINSECONDS=75.571 CHARGE=1- MSLEVEL=2 52.1466 6.2E3 60.1606 6.4E3 96.8881 9.2E3 101.0901 6.2E3 101.3921 6.3E3 104.0248 1.1E4 END IONS BEGIN IONS FEATURE_ID=119 PEPMASS=343.1150 SCANS=119 RTINSECONDS=76.853 CHARGE=1- MSLEVEL=2 53.9731 2.3E3 59.0080 9.0E3 68.9887 2.2E3 71.0071 9.3E3 73.0226 7.9E3 85.0217 7.8E3 87.1087 2.6E3 94.0916 2.2E3 96.8951 9.9E3 101.0156 2.1E4 113.0144 4.0E3 114.3047 2.5E3 116.5311 2.8E3 141.0485 2.6E3 163.0480 4.4E4 219.2790 2.5E3 238.9820 2.4E3 297.1127 1.1E5 298.1161 1.7E4 END IONS BEGIN IONS FEATURE_ID=120 PEPMASS=93.0078 SCANS=120 RTINSECONDS=77.028 CHARGE=1- MSLEVEL=2 50.7038 1.9E3 57.5944 2.4E3 64.0053 1.5E4 65.0132 2.9E5 65.9971 1.2E5 66.0163 4.6E3 74.7513 2.1E3 92.6492 2.0E3 93.0081 6.3E5 93.0193 1.0E4 93.0269 4.8E3 103.3599 2.6E3 END IONS BEGIN IONS FEATURE_ID=121 PEPMASS=103.0154 SCANS=121 RTINSECONDS=77.458 CHARGE=1- MSLEVEL=2 57.0223 2.2E3 59.0082 2.6E3 59.0090 4.1E3 59.0125 2.2E5 72.1306 1.9E3 76.0051 3.8E4 79.0000 1.9E3 91.9846 2.3E3 96.8890 3.4E3 103.0160 8.6E4 103.0270 1.9E3 END IONS BEGIN IONS FEATURE_ID=122 PEPMASS=104.0273 SCANS=122 RTINSECONDS=78.471 CHARGE=1- MSLEVEL=2 50.3427 1.2E4 56.6731 1.0E4 63.8898 9.5E3 64.6719 1.1E4 71.9590 1.2E4 74.6092 1.2E4 84.4852 9.1E3 96.8893 2.2E4 102.3333 1.1E4 104.0240 2.2E4 END IONS BEGIN IONS FEATURE_ID=123 PEPMASS=104.0291 SCANS=123 RTINSECONDS=78.96 CHARGE=1- MSLEVEL=2 50.2781 4.2E3 50.3018 3.8E3 50.6220 4.0E3 51.2792 5.0E3 51.5386 4.7E3 52.0430 4.4E3 52.7778 4.5E3 53.0801 4.7E3 53.4072 5.0E3 53.4338 4.4E3 54.4717 4.2E3 55.2930 4.3E3 55.3097 4.4E3 56.5450 5.1E3 57.8027 4.3E3 58.1823 4.2E3 58.2679 4.3E3 59.5412 5.3E3 60.0157 4.1E3 61.3999 4.5E3 62.5304 4.2E3 62.6571 3.8E3 62.8895 4.9E3 64.0811 3.9E3 64.6259 3.9E3 65.7631 4.2E3 67.3530 4.3E3 68.0944 4.7E3 70.2006 4.9E3 72.5683 4.5E3 72.8060 4.3E3 73.1557 4.8E3 75.8990 5.0E3 79.6755 4.0E3 80.5307 4.8E3 83.4342 4.6E3 83.5453 3.9E3 86.3588 4.5E3 88.6338 4.2E3 89.0145 4.6E3 89.8844 4.0E3 91.2220 4.3E3 92.6514 4.5E3 92.9815 4.7E3 93.4095 4.6E3 93.4646 4.2E3 94.6984 4.0E3 97.8681 4.4E3 101.7309 4.6E3 103.6806 4.2E3 104.0240 2.0E4 104.2471 4.6E3 104.4121 4.6E3 107.1555 4.0E3 112.4960 4.7E3 113.8572 4.5E3 115.9551 4.9E3 122.7190 4.8E3 END IONS BEGIN IONS FEATURE_ID=124 PEPMASS=104.0329 SCANS=124 RTINSECONDS=79.248 CHARGE=1- MSLEVEL=2 59.8485 1.0E4 60.8115 1.0E4 65.3041 1.1E4 66.9470 1.0E4 77.4273 1.1E4 89.5009 1.1E4 90.4945 9.8E3 96.8881 1.7E4 104.0244 3.6E4 104.2031 1.0E4 119.7358 1.1E4 END IONS BEGIN IONS FEATURE_ID=125 PEPMASS=84.9976 SCANS=125 RTINSECONDS=79.315 CHARGE=1- MSLEVEL=2 51.0474 2.5E4 54.5434 2.8E4 55.7168 2.5E4 57.9921 4.6E5 66.6617 3.4E4 68.0002 4.9E4 69.3693 2.9E4 76.1156 3.0E4 84.9921 7.9E4 84.9939 3.6E4 85.0028 1.0E7 85.0132 4.1E4 96.8903 3.6E4 101.7476 2.8E4 END IONS BEGIN IONS FEATURE_ID=126 PEPMASS=84.9996 SCANS=126 RTINSECONDS=79.5 CHARGE=1- MSLEVEL=2 51.5363 2.6E4 57.9921 4.0E5 67.9999 3.9E4 76.0986 2.7E4 85.0027 7.7E6 85.4009 2.5E4 96.8914 2.7E4 END IONS BEGIN IONS FEATURE_ID=127 PEPMASS=105.0208 SCANS=127 RTINSECONDS=79.988 CHARGE=1- MSLEVEL=2 51.0507 1.6E3 51.3953 1.9E3 52.2958 1.5E3 53.3908 1.4E3 53.4938 1.5E3 53.7339 1.4E3 53.8909 1.7E3 54.4547 1.8E3 54.7768 1.3E3 54.8751 2.0E3 55.4141 1.7E3 56.1018 1.6E3 56.3075 1.7E3 56.4919 1.7E3 58.2725 1.6E3 58.4678 1.5E3 58.9307 1.6E3 59.1141 1.7E3 59.1641 1.5E3 59.3855 1.6E3 59.8318 1.4E3 60.3504 1.6E3 61.0168 1.7E3 61.0795 1.4E3 61.4456 1.9E3 61.9069 1.7E3 62.0206 1.7E3 62.8356 2.0E3 62.9095 1.6E3 63.4058 1.6E3 64.9921 1.3E3 66.5095 1.9E3 67.9171 1.6E3 68.0906 1.9E3 69.0946 1.7E3 69.2592 1.6E3 69.2630 1.6E3 69.9417 1.6E3 70.8812 1.6E3 71.9439 1.9E3 72.0591 1.5E3 72.2867 1.7E3 72.3770 1.9E3 76.6771 2.0E3 83.5047 1.6E3 85.2860 2.0E3 86.4004 1.6E3 87.5964 1.8E3 87.8442 1.7E3 90.6489 1.6E3 92.0557 1.7E3 93.8223 2.1E3 95.3531 1.9E3 95.9223 1.8E3 96.8870 3.4E3 103.1865 2.2E3 105.0261 1.7E3 105.5918 1.5E3 105.6084 1.7E3 105.6565 1.4E3 107.5150 1.4E3 110.4644 1.6E3 112.5101 1.7E3 115.8346 1.5E3 116.3328 1.8E3 116.9312 1.9E3 116.9656 1.8E3 117.8421 1.6E3 118.3634 1.6E3 121.6114 1.5E3 122.8121 1.9E3 123.6135 1.9E3 124.8316 1.9E3 END IONS BEGIN IONS FEATURE_ID=128 PEPMASS=102.0119 SCANS=128 RTINSECONDS=80.329 CHARGE=1- MSLEVEL=2 52.9061 2.3E3 56.9275 2.2E3 59.0128 2.4E3 63.9219 2.2E3 65.7771 2.8E3 74.5665 2.2E3 76.3403 1.9E3 76.8645 2.4E3 96.8886 3.4E3 102.0082 3.1E4 108.2868 2.2E3 END IONS BEGIN IONS FEATURE_ID=129 PEPMASS=85.0119 SCANS=129 RTINSECONDS=80.367 CHARGE=1- MSLEVEL=2 51.5299 2.8E4 57.9921 3.6E5 58.4856 2.2E4 65.9355 2.3E4 67.0459 2.3E4 68.0001 3.2E4 73.5578 2.0E4 85.0028 7.3E6 END IONS BEGIN IONS FEATURE_ID=130 PEPMASS=89.0226 SCANS=130 RTINSECONDS=80.442 CHARGE=1- MSLEVEL=2 50.2694 2.0E3 52.4836 2.0E3 53.5002 2.5E3 54.3067 2.0E3 58.5191 2.1E3 61.0287 2.1E3 62.0021 5.2E3 63.0963 2.3E3 71.0123 9.1E3 71.3056 2.3E3 87.0071 4.0E3 89.0133 7.3E4 89.0229 2.4E5 90.0081 2.4E3 93.7929 1.9E3 END IONS BEGIN IONS FEATURE_ID=131 PEPMASS=163.0240 SCANS=131 RTINSECONDS=81.187 CHARGE=1- MSLEVEL=2 65.0061 8.1E3 65.0131 1.1E6 83.1480 2.3E3 91.4782 2.3E3 92.3813 2.3E3 96.8876 3.4E3 118.9911 3.3E3 154.6559 2.6E3 162.8377 2.3E4 END IONS BEGIN IONS FEATURE_ID=132 PEPMASS=85.0062 SCANS=132 RTINSECONDS=81.672 CHARGE=1- MSLEVEL=2 57.9920 4.0E5 68.0004 2.5E4 84.9920 5.6E4 85.0028 8.1E6 96.8900 2.4E4 END IONS BEGIN IONS FEATURE_ID=133 PEPMASS=84.9959 SCANS=133 RTINSECONDS=81.791 CHARGE=1- MSLEVEL=2 57.2197 2.9E4 57.9920 4.7E5 67.6319 2.9E4 67.9999 3.1E4 71.4174 3.2E4 82.4986 3.0E4 83.9224 3.6E4 85.0029 9.4E6 87.1793 3.0E4 END IONS BEGIN IONS FEATURE_ID=134 PEPMASS=102.0144 SCANS=134 RTINSECONDS=82.067 CHARGE=1- MSLEVEL=2 51.3830 2.9E3 51.5233 3.9E3 53.4163 2.9E3 63.6220 2.8E3 81.2290 3.3E3 102.0082 3.0E4 END IONS BEGIN IONS FEATURE_ID=135 PEPMASS=103.0136 SCANS=135 RTINSECONDS=82.377 CHARGE=1- MSLEVEL=2 58.5952 1.9E3 59.0126 3.2E5 61.6239 1.8E3 68.7883 1.9E3 75.8944 1.8E3 76.0049 3.1E4 85.2250 2.0E3 88.5766 2.2E3 94.9572 1.8E3 96.8893 3.4E3 103.0161 8.7E4 103.0281 2.7E3 108.5540 2.1E3 END IONS BEGIN IONS FEATURE_ID=136 PEPMASS=84.9941 SCANS=136 RTINSECONDS=82.377 CHARGE=1- MSLEVEL=2 50.6757 2.8E4 57.9919 4.5E5 67.9999 3.7E4 84.9920 4.8E4 85.0027 9.3E6 96.8896 4.2E4 END IONS BEGIN IONS FEATURE_ID=137 PEPMASS=130.0487 SCANS=137 RTINSECONDS=82.995 CHARGE=1- MSLEVEL=2 54.7842 2.1E3 87.0437 2.1E3 96.6368 2.1E3 96.8902 2.3E3 97.9821 2.3E3 99.5154 2.2E3 100.0395 3.4E3 103.0149 1.8E3 103.0285 1.0E4 106.9948 1.9E3 130.0396 3.8E4 149.6288 2.0E3 END IONS BEGIN IONS FEATURE_ID=138 PEPMASS=89.0225 SCANS=138 RTINSECONDS=83.353 CHARGE=1- MSLEVEL=2 51.5393 2.1E3 55.7609 2.3E3 62.0021 4.9E3 65.1101 1.9E3 69.0596 1.9E3 71.0122 7.3E3 74.0883 2.2E3 87.0072 6.6E3 89.0133 7.5E4 89.0228 2.3E5 96.8889 3.2E3 END IONS BEGIN IONS FEATURE_ID=139 PEPMASS=104.0315 SCANS=139 RTINSECONDS=84.552 CHARGE=1- MSLEVEL=2 50.5020 1.1E4 50.8927 1.0E4 51.5214 1.6E4 55.8057 9.3E3 60.7217 1.1E4 65.4698 9.3E3 75.9766 9.2E3 96.8914 1.4E4 104.0243 1.8E4 105.3777 1.1E4 122.7889 9.1E3 END IONS BEGIN IONS FEATURE_ID=140 PEPMASS=104.0327 SCANS=140 RTINSECONDS=84.842 CHARGE=1- MSLEVEL=2 50.2166 7.4E3 71.8877 6.6E3 73.4719 7.8E3 104.0243 1.8E4 116.1697 7.5E3 END IONS BEGIN IONS FEATURE_ID=141 PEPMASS=104.0294 SCANS=141 RTINSECONDS=85.449 CHARGE=1- MSLEVEL=2 51.3856 1.1E4 53.1948 1.0E4 63.5762 9.2E3 94.1095 9.8E3 96.8883 1.9E4 104.0238 2.6E4 105.7627 8.8E3 117.0576 1.1E4 121.3677 8.6E3 END IONS BEGIN IONS FEATURE_ID=142 PEPMASS=84.9975 SCANS=142 RTINSECONDS=85.627 CHARGE=1- MSLEVEL=2 51.5149 3.5E4 57.9921 4.4E5 64.2990 2.7E4 85.0030 9.2E6 85.0136 4.7E4 99.0604 2.7E4 END IONS BEGIN IONS FEATURE_ID=143 PEPMASS=85.0058 SCANS=143 RTINSECONDS=85.743 CHARGE=1- MSLEVEL=2 51.3404 2.5E4 51.5209 1.8E4 57.9921 3.4E5 63.1987 2.6E4 68.0001 3.8E4 85.0028 7.8E6 END IONS BEGIN IONS FEATURE_ID=144 PEPMASS=104.0272 SCANS=144 RTINSECONDS=85.957 CHARGE=1- MSLEVEL=2 59.8485 1.0E4 60.8115 1.0E4 65.3041 1.1E4 66.9470 1.0E4 77.4273 1.1E4 89.5009 1.1E4 90.4945 9.8E3 96.8881 1.7E4 104.0244 3.6E4 104.2031 1.0E4 119.7358 1.1E4 END IONS BEGIN IONS FEATURE_ID=145 PEPMASS=310.9464 SCANS=145 RTINSECONDS=87.119 CHARGE=1- MSLEVEL=2 51.5890 2.9E3 62.1002 2.2E3 62.6360 2.6E3 64.1049 2.3E3 64.9111 2.2E3 72.1146 2.7E3 83.9949 1.5E4 85.0026 7.0E4 87.9238 7.7E3 89.4464 2.3E3 96.8868 2.8E3 102.9349 3.7E3 103.7876 2.4E3 103.9188 6.7E3 104.9266 7.6E3 105.9343 9.4E3 113.9272 4.1E3 115.9421 3.4E4 123.9443 2.5E4 128.9376 8.3E3 136.0475 2.7E3 140.9386 4.2E3 148.9404 2.8E3 173.9350 6.8E3 175.9517 2.5E3 183.9448 8.0E3 191.9456 1.9E4 242.9478 4.2E3 243.9543 4.7E3 259.9476 2.3E4 296.0947 2.6E3 310.9486 7.6E3 311.1689 3.5E4 END IONS BEGIN IONS FEATURE_ID=146 PEPMASS=102.0122 SCANS=146 RTINSECONDS=87.638 CHARGE=1- MSLEVEL=2 59.0123 2.6E3 82.2359 2.7E3 85.3844 2.2E3 91.3074 2.2E3 93.6116 2.4E3 96.8848 2.3E3 96.8905 4.1E3 99.8599 2.1E3 102.0082 4.0E4 106.9422 2.1E3 END IONS BEGIN IONS FEATURE_ID=147 PEPMASS=84.9941 SCANS=147 RTINSECONDS=88.186 CHARGE=1- MSLEVEL=2 51.3049 2.6E4 57.9921 5.2E5 60.4921 2.9E4 67.9998 3.0E4 69.1386 2.7E4 85.0028 9.7E6 85.0135 6.4E4 99.3933 2.9E4 END IONS BEGIN IONS FEATURE_ID=148 PEPMASS=102.0140 SCANS=148 RTINSECONDS=89.458 CHARGE=1- MSLEVEL=2 61.8890 2.8E3 69.7913 2.9E3 70.9728 3.1E3 96.8894 2.7E3 102.0081 5.2E4 107.4824 2.8E3 END IONS BEGIN IONS FEATURE_ID=149 PEPMASS=105.0208 SCANS=149 RTINSECONDS=90.238 CHARGE=1- MSLEVEL=2 51.5175 2.5E3 72.6498 2.0E3 76.5350 2.2E3 86.7768 1.9E3 96.8879 3.4E3 98.8099 2.3E3 102.0447 2.3E3 105.0443 2.0E3 106.4517 2.1E3 110.9695 1.7E3 END IONS BEGIN IONS FEATURE_ID=150 PEPMASS=104.0272 SCANS=150 RTINSECONDS=90.368 CHARGE=1- MSLEVEL=2 51.1255 5.6E3 51.5124 8.0E3 52.8846 6.0E3 96.8900 1.1E4 104.0240 2.1E4 END IONS BEGIN IONS FEATURE_ID=151 PEPMASS=104.0293 SCANS=151 RTINSECONDS=90.432 CHARGE=1- MSLEVEL=2 50.7905 7.9E3 51.9331 8.4E3 60.4547 9.1E3 64.6250 8.0E3 74.4160 7.9E3 79.5876 9.0E3 96.8903 1.3E4 99.2693 8.7E3 103.5605 7.8E3 104.0114 8.7E3 104.0239 2.5E4 END IONS BEGIN IONS FEATURE_ID=152 PEPMASS=218.1030 SCANS=152 RTINSECONDS=91.503 CHARGE=1- MSLEVEL=2 51.5079 2.3E3 52.3314 2.1E3 59.0126 7.1E3 59.8649 3.1E3 62.9701 2.2E3 71.0124 5.2E4 71.0486 4.2E4 72.0075 2.2E3 88.0279 5.2E3 88.0389 8.1E5 91.5852 2.2E3 92.2853 2.7E3 96.8880 4.6E3 99.0434 1.3E4 116.0341 4.4E3 116.0704 1.0E4 129.0542 4.7E3 133.0137 2.5E3 146.0809 3.7E5 210.0185 2.4E3 218.1028 1.9E5 END IONS BEGIN IONS FEATURE_ID=153 PEPMASS=104.0317 SCANS=153 RTINSECONDS=91.716 CHARGE=1- MSLEVEL=2 51.1488 8.4E3 53.3287 7.8E3 96.8880 1.6E4 104.0242 1.6E4 119.4078 9.8E3 END IONS BEGIN IONS FEATURE_ID=154 PEPMASS=103.0151 SCANS=154 RTINSECONDS=91.763 CHARGE=1- MSLEVEL=2 51.4368 2.0E3 52.2221 2.3E3 59.0126 2.1E5 64.5231 2.0E3 65.9667 2.2E3 76.0051 3.9E4 103.0160 1.1E5 103.0272 2.0E3 115.1562 2.0E3 END IONS BEGIN IONS FEATURE_ID=155 PEPMASS=104.0168 SCANS=155 RTINSECONDS=92.586 CHARGE=1- MSLEVEL=2 54.5507 6.9E3 60.0160 6.1E3 60.4697 7.2E3 62.4424 6.6E3 66.1833 5.9E3 67.2311 6.0E3 77.1267 5.3E3 96.8869 1.7E4 96.8928 8.8E3 104.0240 1.9E4 END IONS BEGIN IONS FEATURE_ID=156 PEPMASS=84.9975 SCANS=156 RTINSECONDS=95.085 CHARGE=1- MSLEVEL=2 57.9920 4.3E5 62.6382 2.5E4 65.8477 2.7E4 66.0277 2.4E4 67.9997 2.6E4 68.8245 2.6E4 70.2917 2.7E4 73.8516 2.8E4 85.0027 7.7E6 85.0133 4.9E4 86.8151 2.7E4 96.8859 6.1E4 96.8921 6.7E4 END IONS BEGIN IONS FEATURE_ID=157 PEPMASS=163.0240 SCANS=157 RTINSECONDS=95.277 CHARGE=1- MSLEVEL=2 51.5412 2.3E3 62.9637 2.2E3 65.0059 9.5E3 65.0131 1.4E6 65.0305 2.5E3 78.6584 2.2E3 96.8912 5.4E3 114.8771 2.4E3 118.9909 7.0E3 131.1101 2.5E3 139.0723 2.5E3 162.8380 2.3E4 END IONS BEGIN IONS FEATURE_ID=158 PEPMASS=109.9976 SCANS=158 RTINSECONDS=95.553 CHARGE=1- MSLEVEL=2 53.4879 2.0E3 54.5392 1.9E3 55.0188 2.8E3 58.0283 3.3E3 64.0054 6.2E4 68.0123 3.3E3 68.2344 1.9E3 73.0151 1.9E3 80.0000 4.0E3 84.2133 1.9E3 87.9822 2.0E3 96.0652 2.0E3 96.8906 3.6E3 100.3584 1.9E3 109.9980 7.8E4 110.0338 4.6E3 END IONS BEGIN IONS FEATURE_ID=159 PEPMASS=104.0317 SCANS=159 RTINSECONDS=96.022 CHARGE=1- MSLEVEL=2 56.2150 5.5E3 56.5160 6.0E3 61.2663 5.1E3 71.2957 6.0E3 79.2156 6.3E3 79.4319 5.7E3 79.8830 6.4E3 94.8569 5.4E3 96.8860 9.1E3 96.8910 1.1E4 104.0243 1.8E4 109.9567 5.5E3 116.4033 7.0E3 117.9179 5.8E3 END IONS BEGIN IONS FEATURE_ID=160 PEPMASS=104.0274 SCANS=160 RTINSECONDS=96.492 CHARGE=1- MSLEVEL=2 51.1973 5.8E3 54.2614 7.2E3 56.7795 7.3E3 63.0929 6.1E3 66.7015 6.1E3 66.7800 6.5E3 70.8371 6.6E3 71.6438 6.1E3 92.4318 7.2E3 94.3516 6.7E3 95.5564 7.9E3 104.0240 1.6E4 108.7873 6.3E3 115.0335 6.8E3 END IONS BEGIN IONS FEATURE_ID=161 PEPMASS=118.0203 SCANS=161 RTINSECONDS=96.677 CHARGE=1- MSLEVEL=2 50.6669 1.9E3 54.0166 2.0E3 64.9244 2.1E3 65.9975 2.5E3 73.0278 3.7E4 74.0313 1.0E5 89.4492 2.0E3 91.0285 3.7E3 96.8913 2.6E3 100.0105 1.3E4 116.3669 2.1E3 118.0031 2.0E4 118.0210 2.2E4 118.0399 4.0E3 END IONS BEGIN IONS FEATURE_ID=162 PEPMASS=117.0181 SCANS=162 RTINSECONDS=96.782 CHARGE=1- MSLEVEL=2 51.5368 1.4E4 55.0174 3.3E4 56.3877 1.1E4 66.8278 1.2E4 73.0281 5.2E6 90.0088 2.1E4 99.0070 3.9E5 116.9270 1.5E4 117.0176 8.5E5 END IONS BEGIN IONS FEATURE_ID=163 PEPMASS=102.0116 SCANS=163 RTINSECONDS=96.782 CHARGE=1- MSLEVEL=2 50.0023 3.2E3 82.4193 2.5E3 96.8871 4.8E3 102.0083 3.9E4 108.8851 2.8E3 END IONS BEGIN IONS FEATURE_ID=164 PEPMASS=117.0248 SCANS=164 RTINSECONDS=96.876 CHARGE=1- MSLEVEL=2 55.0176 2.0E4 57.7103 9.7E3 65.4868 9.3E3 73.0282 3.4E6 90.0083 3.7E4 97.4888 1.0E4 98.9976 1.1E4 99.0071 2.6E5 117.0053 1.3E4 117.0178 5.5E5 END IONS BEGIN IONS FEATURE_ID=165 PEPMASS=104.0295 SCANS=165 RTINSECONDS=96.91 CHARGE=1- MSLEVEL=2 59.8485 1.0E4 60.8115 1.0E4 65.3041 1.1E4 66.9470 1.0E4 77.4273 1.1E4 89.5009 1.1E4 90.4945 9.8E3 96.8881 1.7E4 104.0244 3.6E4 104.2031 1.0E4 119.7358 1.1E4 END IONS BEGIN IONS FEATURE_ID=166 PEPMASS=117.0096 SCANS=166 RTINSECONDS=96.91 CHARGE=1- MSLEVEL=2 55.0176 2.0E4 57.7103 9.7E3 65.4868 9.3E3 73.0282 3.4E6 90.0083 3.7E4 97.4888 1.0E4 98.9976 1.1E4 99.0071 2.6E5 117.0053 1.3E4 117.0178 5.5E5 END IONS BEGIN IONS FEATURE_ID=167 PEPMASS=85.0057 SCANS=167 RTINSECONDS=97.052 CHARGE=1- MSLEVEL=2 57.2590 3.1E4 57.9920 5.1E5 78.1578 3.4E4 85.0028 9.8E6 96.8894 4.0E4 END IONS BEGIN IONS FEATURE_ID=168 PEPMASS=84.9941 SCANS=168 RTINSECONDS=97.399 CHARGE=1- MSLEVEL=2 57.9920 4.5E5 84.9922 7.0E4 85.0029 9.9E6 85.0134 5.4E4 96.8905 4.7E4 END IONS BEGIN IONS FEATURE_ID=169 PEPMASS=105.0209 SCANS=169 RTINSECONDS=98.066 CHARGE=1- MSLEVEL=2 50.2191 1.5E3 50.5407 1.8E3 51.2349 1.8E3 51.6253 1.4E3 52.4529 1.7E3 52.6456 1.6E3 52.7753 2.0E3 53.0378 1.5E3 53.0669 1.6E3 53.2834 1.8E3 53.8961 1.4E3 54.1404 1.5E3 55.1429 2.1E3 58.0234 1.6E3 58.7207 1.5E3 59.8058 1.5E3 60.2904 1.6E3 61.0164 1.5E3 61.0550 1.5E3 61.2887 1.5E3 62.0490 1.8E3 62.9416 2.1E3 63.3819 1.6E3 63.6147 1.7E3 63.7533 1.5E3 63.9475 1.5E3 66.7974 1.9E3 66.8987 1.3E3 67.6414 1.6E3 67.7716 1.7E3 68.1423 1.9E3 69.3210 1.7E3 71.1838 1.5E3 71.8497 1.6E3 73.9655 1.8E3 74.2841 1.6E3 74.4178 1.3E3 74.7895 1.7E3 75.3006 2.0E3 75.6973 1.4E3 76.8604 1.3E3 76.9363 1.7E3 77.3276 1.6E3 77.6220 1.7E3 78.2526 2.2E3 78.6968 1.8E3 78.9357 1.6E3 79.1329 1.5E3 80.1199 1.5E3 80.7519 1.5E3 80.8707 1.6E3 80.9003 1.8E3 81.4814 1.9E3 82.3397 1.6E3 83.2230 1.5E3 83.2407 1.7E3 83.8660 1.7E3 83.9935 1.5E3 86.1370 2.0E3 87.0313 1.4E3 87.0884 1.6E3 89.3393 1.8E3 90.2233 1.5E3 90.3886 1.8E3 91.9151 1.7E3 94.8484 1.7E3 95.9263 1.6E3 100.0705 1.5E3 100.2412 1.6E3 100.4236 1.6E3 102.2476 1.5E3 103.1310 1.6E3 103.3506 1.7E3 103.6533 1.4E3 104.8172 1.5E3 107.9103 1.6E3 109.4553 1.6E3 110.7352 1.4E3 116.0135 1.6E3 116.7537 1.8E3 119.2221 1.6E3 120.0736 1.7E3 120.5696 1.9E3 123.1630 2.0E3 124.2099 1.5E3 124.6535 1.5E3 124.8322 1.6E3 END IONS BEGIN IONS FEATURE_ID=170 PEPMASS=104.0168 SCANS=170 RTINSECONDS=98.453 CHARGE=1- MSLEVEL=2 50.5569 6.8E3 57.3133 6.8E3 68.0316 6.7E3 96.8889 1.5E4 104.0245 1.7E4 END IONS BEGIN IONS FEATURE_ID=171 PEPMASS=103.0156 SCANS=171 RTINSECONDS=98.676 CHARGE=1- MSLEVEL=2 51.5353 2.0E3 59.0124 1.5E5 76.0052 2.0E4 80.2826 2.0E3 96.8895 4.0E3 103.0160 5.8E4 103.0274 2.8E3 END IONS BEGIN IONS FEATURE_ID=172 PEPMASS=85.0119 SCANS=172 RTINSECONDS=98.991 CHARGE=1- MSLEVEL=2 54.1298 2.9E4 57.9920 5.5E5 63.4518 2.9E4 68.0000 5.3E4 75.5513 3.0E4 85.0028 1.1E7 85.0135 6.2E4 END IONS BEGIN IONS FEATURE_ID=173 PEPMASS=84.9954 SCANS=173 RTINSECONDS=99.555 CHARGE=1- MSLEVEL=2 57.9921 5.9E5 68.0003 3.8E4 69.8689 2.7E4 84.9920 8.3E4 85.0029 1.2E7 96.0590 3.4E4 END IONS BEGIN IONS FEATURE_ID=174 PEPMASS=310.9461 SCANS=174 RTINSECONDS=100.016 CHARGE=1- MSLEVEL=2 58.2028 2.2E3 61.6957 2.3E3 63.6874 2.4E3 67.4716 2.3E3 72.7627 2.4E3 79.2931 2.5E3 83.9948 1.8E4 85.0026 8.6E4 87.9240 5.7E3 96.8880 4.3E3 101.9270 2.7E3 102.9345 5.0E3 103.9190 7.4E3 104.9266 6.1E3 105.1069 2.6E3 105.9133 2.6E3 105.9345 7.2E3 106.9414 2.8E3 111.9349 3.9E3 112.8375 2.5E3 113.9272 4.5E3 115.9421 3.2E4 117.9217 2.2E3 121.8354 2.3E3 122.3080 2.7E3 123.9444 3.3E4 124.8094 2.2E3 124.9429 3.1E3 128.9371 1.4E4 131.9380 2.6E3 140.9384 4.7E3 147.9573 4.1E3 148.9402 4.7E3 156.9332 2.7E3 173.4757 2.4E3 173.9368 7.3E3 175.9510 3.2E3 183.9447 9.0E3 191.9466 2.3E4 206.6479 2.2E3 211.7526 2.4E3 241.9367 3.7E3 242.9455 5.1E3 243.9535 6.4E3 255.9421 2.4E3 259.9477 2.9E4 293.8761 2.4E3 310.9455 5.5E3 311.1693 4.6E4 END IONS BEGIN IONS FEATURE_ID=175 PEPMASS=104.0332 SCANS=175 RTINSECONDS=100.025 CHARGE=1- MSLEVEL=2 67.3763 9.6E3 70.5778 8.9E3 72.5443 9.1E3 75.7481 9.8E3 86.2147 9.2E3 93.8755 1.0E4 96.8897 1.4E4 102.6463 9.3E3 104.0241 1.9E4 105.0620 1.0E4 109.4545 9.0E3 END IONS BEGIN IONS FEATURE_ID=176 PEPMASS=84.9938 SCANS=176 RTINSECONDS=100.221 CHARGE=1- MSLEVEL=2 54.3067 3.1E4 57.9921 4.0E5 68.0004 4.7E4 77.7692 2.7E4 85.0028 7.6E6 85.0133 3.8E4 96.8882 3.6E4 104.3311 2.3E4 END IONS BEGIN IONS FEATURE_ID=177 PEPMASS=104.0296 SCANS=177 RTINSECONDS=100.358 CHARGE=1- MSLEVEL=2 52.7716 8.2E3 65.5996 7.7E3 73.4634 7.0E3 79.7938 7.1E3 89.3327 7.0E3 95.7617 6.7E3 96.8849 7.4E3 96.8904 1.5E4 104.0239 1.7E4 121.8188 6.8E3 END IONS BEGIN IONS FEATURE_ID=178 PEPMASS=84.9974 SCANS=178 RTINSECONDS=100.492 CHARGE=1- MSLEVEL=2 51.3331 3.2E4 57.9921 5.0E5 59.8274 3.1E4 85.0029 1.1E7 95.6436 3.6E4 96.8888 4.7E4 98.4314 3.4E4 END IONS BEGIN IONS FEATURE_ID=179 PEPMASS=102.0084 SCANS=179 RTINSECONDS=101.565 CHARGE=1- MSLEVEL=2 50.2820 2.1E3 51.1232 2.0E3 53.4197 2.0E3 59.2477 2.0E3 67.3637 2.3E3 69.8463 2.1E3 72.0422 2.0E3 76.3373 2.5E3 85.1896 2.2E3 96.8890 5.5E3 98.3898 2.0E3 102.0083 2.3E4 111.5226 2.1E3 END IONS BEGIN IONS FEATURE_ID=180 PEPMASS=163.0241 SCANS=180 RTINSECONDS=101.992 CHARGE=1- MSLEVEL=2 53.7365 2.0E3 56.9195 2.0E3 62.2690 2.0E3 65.0041 3.1E3 65.0132 9.6E5 65.0204 6.2E3 68.7383 2.5E3 69.0235 2.3E3 71.9719 2.4E3 75.0260 2.4E3 84.8302 2.6E3 85.0915 1.8E3 118.9913 3.5E3 127.8450 2.2E3 162.8376 1.5E4 175.1925 2.3E3 END IONS BEGIN IONS FEATURE_ID=181 PEPMASS=103.0156 SCANS=181 RTINSECONDS=102.068 CHARGE=1- MSLEVEL=2 51.9676 2.4E3 59.0125 1.4E5 60.0781 2.2E3 73.6410 1.9E3 76.0051 2.4E4 96.8859 5.2E3 96.8921 4.3E3 103.0162 5.2E4 113.2536 2.3E3 END IONS BEGIN IONS FEATURE_ID=182 PEPMASS=102.0118 SCANS=182 RTINSECONDS=102.52 CHARGE=1- MSLEVEL=2 50.1064 2.0E3 50.8294 2.0E3 51.2274 2.1E3 61.3539 2.0E3 61.8453 2.0E3 63.7703 2.1E3 72.5219 2.2E3 88.7376 1.9E3 96.8864 3.0E3 96.8918 3.4E3 102.0081 3.4E4 END IONS BEGIN IONS FEATURE_ID=183 PEPMASS=103.0141 SCANS=183 RTINSECONDS=103.389 CHARGE=1- MSLEVEL=2 57.6401 2.2E3 59.0126 2.7E5 60.8790 2.5E3 63.2483 2.2E3 66.8825 2.2E3 76.0050 4.6E4 98.3787 2.3E3 103.0062 2.7E3 103.0161 9.7E4 103.0244 3.1E3 103.0273 2.9E3 END IONS BEGIN IONS FEATURE_ID=184 PEPMASS=237.0385 SCANS=184 RTINSECONDS=104.053 CHARGE=1- MSLEVEL=2 57.2231 2.6E3 71.0123 4.8E4 80.7319 2.0E3 96.8888 3.8E3 115.0019 2.8E4 121.0278 3.4E5 128.5927 2.3E3 216.3045 2.6E3 END IONS BEGIN IONS FEATURE_ID=185 PEPMASS=121.0273 SCANS=185 RTINSECONDS=104.161 CHARGE=1- MSLEVEL=2 55.7765 2.1E3 56.0010 2.2E3 65.9971 1.1E4 105.2837 1.9E3 110.9387 2.0E3 117.7736 1.9E3 121.0027 7.0E3 121.0279 2.9E4 124.9725 2.1E3 130.0795 2.5E3 END IONS BEGIN IONS FEATURE_ID=186 PEPMASS=237.0395 SCANS=186 RTINSECONDS=104.245 CHARGE=1- MSLEVEL=2 52.9864 2.2E3 54.1495 2.4E3 55.6266 2.4E3 55.8331 2.4E3 64.9872 2.3E3 69.6648 2.7E3 71.0124 1.2E5 81.7893 2.7E3 81.9052 2.4E3 96.8880 2.9E3 115.0021 7.5E4 121.0105 3.5E3 121.0127 2.3E3 121.0281 8.8E5 135.1997 2.2E3 END IONS BEGIN IONS FEATURE_ID=187 PEPMASS=85.0084 SCANS=187 RTINSECONDS=104.584 CHARGE=1- MSLEVEL=2 57.9921 5.3E5 62.2817 3.6E4 67.4418 3.0E4 68.0002 4.3E4 85.0029 1.0E7 95.9395 3.1E4 96.8886 5.3E4 103.6490 3.6E4 END IONS BEGIN IONS FEATURE_ID=188 PEPMASS=104.0317 SCANS=188 RTINSECONDS=104.911 CHARGE=1- MSLEVEL=2 54.6689 9.2E3 55.1713 9.4E3 93.6139 9.2E3 96.8885 1.4E4 104.0238 1.5E4 END IONS BEGIN IONS FEATURE_ID=189 PEPMASS=105.0209 SCANS=189 RTINSECONDS=105.347 CHARGE=1- MSLEVEL=2 52.3367 1.8E3 53.2577 2.4E3 61.0609 2.1E3 74.5000 2.1E3 76.1483 2.1E3 84.0390 2.0E3 86.8145 1.9E3 96.7942 1.9E3 96.8896 3.9E3 105.0442 2.2E3 105.6996 2.2E3 106.7528 2.3E3 END IONS BEGIN IONS FEATURE_ID=190 PEPMASS=104.0293 SCANS=190 RTINSECONDS=105.768 CHARGE=1- MSLEVEL=2 59.8250 6.5E3 74.1456 9.4E3 78.0997 7.0E3 84.5457 7.1E3 92.5783 7.5E3 93.1995 7.0E3 96.4844 6.2E3 96.8870 1.7E4 96.8927 8.9E3 104.0244 1.6E4 115.9896 7.3E3 END IONS BEGIN IONS FEATURE_ID=191 PEPMASS=84.9941 SCANS=191 RTINSECONDS=106.796 CHARGE=1- MSLEVEL=2 57.9922 4.6E5 58.0058 3.4E4 63.2734 3.2E4 68.0005 3.6E4 84.3968 3.4E4 85.0028 8.9E6 85.0134 4.5E4 END IONS BEGIN IONS FEATURE_ID=192 PEPMASS=104.0274 SCANS=192 RTINSECONDS=106.808 CHARGE=1- MSLEVEL=2 56.1497 9.8E3 60.5157 1.1E4 60.6979 1.0E4 62.6787 1.0E4 63.6544 1.1E4 71.5940 9.8E3 74.8660 1.0E4 80.6434 9.1E3 92.5593 1.1E4 96.6798 9.2E3 96.8868 1.2E4 104.0237 2.5E4 END IONS BEGIN IONS FEATURE_ID=193 PEPMASS=104.0327 SCANS=193 RTINSECONDS=107.88 CHARGE=1- MSLEVEL=2 51.1928 8.3E3 51.5236 8.3E3 60.0654 9.1E3 62.4193 8.6E3 66.1513 1.1E4 68.6785 9.8E3 77.4308 9.2E3 96.8891 1.4E4 104.0246 2.4E4 105.6914 8.8E3 END IONS BEGIN IONS FEATURE_ID=194 PEPMASS=172.0951 SCANS=194 RTINSECONDS=108.301 CHARGE=1- MSLEVEL=2 58.0286 2.3E3 63.1367 2.1E3 96.8887 3.4E3 111.0793 2.1E3 117.4817 2.2E3 126.7445 2.1E3 128.1066 8.5E3 130.0719 2.8E3 130.0736 3.2E3 130.0856 2.5E5 130.4242 2.0E3 140.3666 2.5E3 150.9093 2.0E3 165.6382 2.6E3 172.0964 5.1E4 END IONS BEGIN IONS FEATURE_ID=195 PEPMASS=84.9963 SCANS=195 RTINSECONDS=108.471 CHARGE=1- MSLEVEL=2 57.9921 4.3E5 66.2773 3.2E4 68.9809 3.4E4 85.0028 8.7E6 85.0136 4.3E4 87.0907 3.8E4 END IONS BEGIN IONS FEATURE_ID=196 PEPMASS=85.0120 SCANS=196 RTINSECONDS=108.744 CHARGE=1- MSLEVEL=2 57.9919 4.5E5 68.0002 4.2E4 85.0027 9.0E6 95.3543 3.3E4 96.8877 4.6E4 97.9770 3.2E4 END IONS BEGIN IONS FEATURE_ID=197 PEPMASS=104.0200 SCANS=197 RTINSECONDS=108.803 CHARGE=1- MSLEVEL=2 68.6058 6.6E3 96.8901 1.0E4 102.3192 7.3E3 104.0239 2.9E4 106.7756 7.1E3 END IONS BEGIN IONS FEATURE_ID=198 PEPMASS=84.9978 SCANS=198 RTINSECONDS=109.095 CHARGE=1- MSLEVEL=2 57.9920 5.4E5 68.0001 4.5E4 75.4613 3.2E4 85.0028 1.1E7 96.8870 3.9E4 102.9278 3.0E4 END IONS BEGIN IONS FEATURE_ID=199 PEPMASS=104.0323 SCANS=199 RTINSECONDS=109.529 CHARGE=1- MSLEVEL=2 50.6651 8.5E3 56.9843 7.8E3 60.1530 7.7E3 74.0100 8.2E3 88.3429 1.1E4 96.8913 1.8E4 104.0238 1.6E4 115.6877 8.6E3 121.9033 8.6E3 END IONS BEGIN IONS FEATURE_ID=200 PEPMASS=102.0121 SCANS=200 RTINSECONDS=109.618 CHARGE=1- MSLEVEL=2 50.9340 2.5E3 58.7379 3.0E3 68.5287 2.5E3 74.6202 3.0E3 74.6397 3.2E3 85.1272 2.6E3 89.2341 2.7E3 96.8895 4.1E3 99.3360 2.8E3 102.0081 2.9E4 105.1792 2.6E3 END IONS BEGIN IONS FEATURE_ID=201 PEPMASS=186.0394 SCANS=201 RTINSECONDS=110.747 CHARGE=1- MSLEVEL=2 58.0190 2.3E3 58.0286 4.4E5 60.4316 2.4E3 61.0200 2.4E3 71.9903 2.8E3 80.8454 2.2E3 87.9242 3.6E3 96.8872 3.5E3 98.0598 5.6E3 114.0546 2.7E4 140.0336 2.2E3 141.9407 3.4E3 142.0495 1.9E5 186.0406 3.3E3 END IONS BEGIN IONS FEATURE_ID=202 PEPMASS=163.0241 SCANS=202 RTINSECONDS=110.759 CHARGE=1- MSLEVEL=2 61.6111 2.0E3 61.9746 2.5E3 65.0060 7.5E3 65.0074 3.8E3 65.0132 1.1E6 70.8308 2.4E3 93.8109 2.2E3 96.8881 3.6E3 118.9912 3.5E3 121.1130 2.2E3 162.8375 2.0E4 169.4282 2.1E3 END IONS BEGIN IONS FEATURE_ID=203 PEPMASS=142.0491 SCANS=203 RTINSECONDS=110.777 CHARGE=1- MSLEVEL=2 58.0285 1.3E5 58.0321 4.0E3 58.0325 2.2E3 60.9993 2.1E3 63.6638 1.8E3 71.2824 2.0E3 95.6386 2.2E3 96.8887 3.2E3 115.0119 3.5E3 142.0135 2.6E3 142.0233 5.2E3 142.0396 1.8E4 142.0497 4.3E3 END IONS BEGIN IONS FEATURE_ID=204 PEPMASS=186.0383 SCANS=204 RTINSECONDS=110.841 CHARGE=1- MSLEVEL=2 51.5196 2.8E3 54.9985 2.1E3 58.0286 3.4E5 65.0129 3.7E3 68.8517 2.2E3 74.0559 3.2E3 85.9816 2.3E3 96.8884 4.8E3 98.0595 3.3E3 98.5963 2.0E3 98.6298 2.0E3 114.0543 2.1E4 121.5655 2.2E3 141.9417 2.5E3 142.0495 1.3E5 END IONS BEGIN IONS FEATURE_ID=205 PEPMASS=84.9959 SCANS=205 RTINSECONDS=111.031 CHARGE=1- MSLEVEL=2 57.9920 5.4E5 60.8027 3.4E4 78.0128 3.6E4 82.8344 3.0E4 85.0029 9.8E6 85.0134 5.0E4 96.8918 4.0E4 104.0037 3.3E4 END IONS BEGIN IONS FEATURE_ID=206 PEPMASS=105.0208 SCANS=206 RTINSECONDS=111.192 CHARGE=1- MSLEVEL=2 50.7259 1.8E3 50.9212 1.6E3 51.4747 1.7E3 51.7470 1.6E3 52.0554 1.8E3 54.7101 1.9E3 55.3268 1.5E3 55.8128 1.4E3 56.0400 1.4E3 57.0914 1.5E3 57.2621 1.7E3 57.6185 1.7E3 59.1610 1.7E3 59.2783 1.8E3 59.4082 1.6E3 59.9105 1.6E3 60.4615 2.0E3 60.6201 1.8E3 61.1926 1.9E3 61.3112 1.7E3 62.7442 1.8E3 64.0577 1.7E3 64.7425 1.9E3 64.7874 1.5E3 64.8209 1.8E3 64.8338 1.7E3 66.0354 1.6E3 66.0715 1.7E3 66.6240 1.5E3 67.6987 1.6E3 68.3418 1.7E3 68.5781 2.0E3 68.9144 1.8E3 70.6773 1.7E3 71.1007 1.7E3 73.0778 1.6E3 73.1310 2.0E3 73.1834 1.5E3 76.1498 1.9E3 76.1538 1.8E3 76.3023 1.3E3 77.7583 1.6E3 83.3844 2.1E3 84.4909 1.5E3 85.0564 1.5E3 89.6044 1.7E3 90.9468 1.6E3 92.2958 1.6E3 94.8980 2.0E3 95.1452 1.8E3 95.8653 1.5E3 96.8741 1.8E3 96.8896 3.1E3 103.7870 1.9E3 105.0437 1.7E3 106.4956 1.6E3 106.7477 1.6E3 107.2459 1.5E3 109.2700 1.6E3 109.7250 1.5E3 116.1903 1.8E3 116.8477 1.9E3 118.9682 1.8E3 119.0481 1.8E3 END IONS BEGIN IONS FEATURE_ID=207 PEPMASS=102.0141 SCANS=207 RTINSECONDS=111.685 CHARGE=1- MSLEVEL=2 50.7248 3.0E3 51.5346 3.0E3 57.1016 3.1E3 70.0282 3.1E3 83.7071 3.4E3 96.8884 6.6E3 102.0084 3.7E4 END IONS BEGIN IONS FEATURE_ID=208 PEPMASS=84.9975 SCANS=208 RTINSECONDS=113.124 CHARGE=1- MSLEVEL=2 53.0552 4.1E4 57.9921 6.5E5 58.7177 3.1E4 68.0000 3.5E4 68.5598 3.4E4 85.0029 1.1E7 96.8872 4.8E4 97.7570 3.0E4 END IONS BEGIN IONS FEATURE_ID=209 PEPMASS=104.0295 SCANS=209 RTINSECONDS=113.395 CHARGE=1- MSLEVEL=2 67.3763 9.6E3 70.5778 8.9E3 72.5443 9.1E3 75.7481 9.8E3 86.2147 9.2E3 93.8755 1.0E4 96.8897 1.4E4 102.6463 9.3E3 104.0241 1.9E4 105.0620 1.0E4 109.4545 9.0E3 END IONS BEGIN IONS FEATURE_ID=210 PEPMASS=84.9941 SCANS=210 RTINSECONDS=113.758 CHARGE=1- MSLEVEL=2 53.5187 2.7E4 57.9920 5.0E5 67.9999 5.9E4 84.9891 4.3E4 85.0028 1.1E7 85.0133 5.4E4 96.8890 4.9E4 101.4815 3.4E4 END IONS BEGIN IONS FEATURE_ID=211 PEPMASS=104.0272 SCANS=211 RTINSECONDS=114.151 CHARGE=1- MSLEVEL=2 52.9983 8.4E3 54.2899 7.3E3 55.5459 9.0E3 57.5321 7.9E3 61.9867 7.9E3 65.1859 7.6E3 65.9572 9.2E3 74.8779 8.5E3 96.8876 1.2E4 104.0237 3.0E4 105.6152 8.8E3 118.5558 8.3E3 END IONS BEGIN IONS FEATURE_ID=212 PEPMASS=84.9935 SCANS=212 RTINSECONDS=114.732 CHARGE=1- MSLEVEL=2 57.9921 5.3E5 57.9956 4.5E4 61.9944 2.6E4 62.9853 2.5E4 64.6206 2.6E4 85.0028 9.8E6 96.8894 5.4E4 END IONS BEGIN IONS FEATURE_ID=213 PEPMASS=194.1014 SCANS=213 RTINSECONDS=114.794 CHARGE=1- MSLEVEL=2 54.5488 1.9E3 57.0558 2.0E3 60.4778 1.9E3 69.7728 2.3E3 76.4647 2.3E3 77.3537 2.2E3 79.0427 2.0E3 86.5681 2.2E3 115.2766 2.4E3 123.4550 2.3E3 131.8456 2.2E3 163.2078 2.2E3 171.0864 2.0E3 174.5280 2.5E3 180.1210 2.4E3 194.0811 4.4E3 203.4816 2.1E3 210.5214 2.3E3 END IONS BEGIN IONS FEATURE_ID=214 PEPMASS=103.0124 SCANS=214 RTINSECONDS=114.851 CHARGE=1- MSLEVEL=2 59.0125 6.7E4 76.0050 1.8E4 78.9887 2.0E3 91.0043 2.0E3 96.8893 2.4E3 103.0160 5.5E4 103.0276 2.5E3 END IONS BEGIN IONS FEATURE_ID=215 PEPMASS=194.1008 SCANS=215 RTINSECONDS=114.925 CHARGE=1- MSLEVEL=2 50.4861 2.1E3 67.2379 2.0E3 79.1824 2.4E3 96.8889 2.9E3 116.8482 2.0E3 146.9180 2.3E3 147.3251 2.6E3 180.9401 1.9E3 194.0472 2.3E3 194.0816 7.2E3 END IONS BEGIN IONS FEATURE_ID=216 PEPMASS=103.0156 SCANS=216 RTINSECONDS=115.682 CHARGE=1- MSLEVEL=2 50.1007 2.4E3 51.5152 2.1E3 52.7495 1.9E3 59.0126 1.7E5 66.1048 1.9E3 66.3869 2.0E3 69.1916 1.9E3 76.0048 2.7E4 77.1834 1.9E3 94.3988 2.0E3 96.8900 3.8E3 103.0162 7.4E4 103.0279 3.4E3 110.7933 2.1E3 112.2319 2.0E3 117.7165 2.3E3 120.1914 2.1E3 END IONS BEGIN IONS FEATURE_ID=217 PEPMASS=84.9973 SCANS=217 RTINSECONDS=116.064 CHARGE=1- MSLEVEL=2 57.4961 2.7E4 57.9921 4.0E5 67.9999 4.1E4 69.3545 2.4E4 71.9813 3.0E4 76.8919 2.8E4 78.6973 2.5E4 84.5326 2.7E4 85.0028 7.6E6 85.4342 3.0E4 96.8909 4.1E4 102.9241 2.6E4 END IONS BEGIN IONS FEATURE_ID=218 PEPMASS=85.0001 SCANS=218 RTINSECONDS=116.298 CHARGE=1- MSLEVEL=2 57.9921 3.5E5 62.3329 2.1E4 67.0351 2.9E4 70.5097 2.2E4 80.6050 2.3E4 85.0028 6.6E6 96.8863 2.7E4 99.5627 2.3E4 END IONS BEGIN IONS FEATURE_ID=219 PEPMASS=216.0865 SCANS=219 RTINSECONDS=116.302 CHARGE=1- MSLEVEL=2 52.5633 2.1E3 71.0124 7.4E3 88.0388 1.1E5 92.6853 2.3E3 94.3420 2.3E3 96.8876 4.3E3 96.8929 2.3E3 96.9913 6.5E3 100.0751 6.8E4 101.0592 4.2E4 114.0178 9.2E3 115.0022 3.0E4 132.0284 5.5E3 151.5180 2.2E3 154.0865 7.2E3 172.0964 4.3E4 198.0761 1.3E4 216.0868 8.2E4 END IONS BEGIN IONS FEATURE_ID=220 PEPMASS=85.0121 SCANS=220 RTINSECONDS=116.997 CHARGE=1- MSLEVEL=2 51.1247 2.7E4 51.5157 3.2E4 52.1872 2.9E4 56.4638 3.0E4 57.2497 3.2E4 57.9921 4.4E5 84.9921 5.7E4 85.0028 8.3E6 95.0666 2.8E4 95.4618 3.6E4 96.8882 3.8E4 END IONS BEGIN IONS FEATURE_ID=221 PEPMASS=85.0060 SCANS=221 RTINSECONDS=117.607 CHARGE=1- MSLEVEL=2 57.9920 4.5E5 65.1125 2.9E4 67.9997 3.2E4 68.6577 3.2E4 85.0028 1.1E7 85.0134 4.9E4 93.8746 2.7E4 96.8907 4.2E4 END IONS BEGIN IONS FEATURE_ID=222 PEPMASS=103.0137 SCANS=222 RTINSECONDS=118.154 CHARGE=1- MSLEVEL=2 54.6553 2.5E3 59.0126 3.2E5 76.0051 3.9E4 88.0046 2.2E3 90.2824 2.0E3 92.1578 2.0E3 96.8879 2.4E3 102.9814 2.2E3 103.0058 2.5E3 103.0161 9.1E4 103.0281 3.6E3 113.1690 2.1E3 END IONS BEGIN IONS FEATURE_ID=223 PEPMASS=104.0168 SCANS=223 RTINSECONDS=118.178 CHARGE=1- MSLEVEL=2 50.9368 6.0E3 57.5251 6.3E3 62.1132 5.9E3 62.6153 6.5E3 64.4926 6.3E3 68.2616 5.9E3 68.6923 7.2E3 71.8993 6.1E3 76.3251 6.0E3 82.1750 5.9E3 86.5636 5.5E3 92.8751 6.3E3 93.3917 6.6E3 96.8885 1.5E4 104.0236 1.1E4 119.2221 6.0E3 END IONS BEGIN IONS FEATURE_ID=224 PEPMASS=161.0443 SCANS=224 RTINSECONDS=118.194 CHARGE=1- MSLEVEL=2 57.0333 9.7E5 59.0124 1.9E5 76.0055 3.7E3 76.1787 3.4E3 85.6806 3.6E3 99.0437 1.2E6 101.0228 3.3E5 101.0324 3.9E3 112.3432 3.3E3 117.0540 8.6E3 161.0084 5.7E3 161.0441 2.7E5 END IONS BEGIN IONS FEATURE_ID=225 PEPMASS=102.0116 SCANS=225 RTINSECONDS=118.393 CHARGE=1- MSLEVEL=2 51.4022 2.5E3 51.5150 2.7E3 55.0523 2.2E3 56.9933 2.1E3 62.4485 2.9E3 82.8206 2.4E3 92.6439 2.4E3 96.8857 3.4E3 96.8913 4.7E3 98.4536 2.1E3 102.0082 3.7E4 111.0918 2.7E3 115.0733 2.3E3 END IONS BEGIN IONS FEATURE_ID=226 PEPMASS=200.9848 SCANS=226 RTINSECONDS=118.546 CHARGE=1- MSLEVEL=2 63.6762 2.2E3 76.5571 2.4E3 82.7681 2.2E3 88.0409 2.2E3 96.8905 3.7E3 121.0279 3.0E5 200.9859 3.2E4 206.6335 2.2E3 220.0848 2.6E3 END IONS BEGIN IONS FEATURE_ID=227 PEPMASS=104.0317 SCANS=227 RTINSECONDS=118.82 CHARGE=1- MSLEVEL=2 64.6904 7.9E3 67.7978 8.0E3 76.0434 8.2E3 82.0728 9.1E3 84.1722 8.9E3 96.8888 1.2E4 98.8688 7.4E3 104.0239 1.8E4 104.6910 7.5E3 118.2402 6.5E3 END IONS BEGIN IONS FEATURE_ID=228 PEPMASS=90.0077 SCANS=228 RTINSECONDS=119.71 CHARGE=1- MSLEVEL=2 51.2380 1.9E3 53.5706 2.3E3 58.8834 1.9E3 65.8582 1.8E3 77.1033 2.1E3 83.1851 2.0E3 90.0081 2.1E5 96.8866 2.5E3 END IONS BEGIN IONS FEATURE_ID=229 PEPMASS=85.0084 SCANS=229 RTINSECONDS=120.006 CHARGE=1- MSLEVEL=2 54.1841 2.2E4 57.9921 3.4E5 85.0029 7.2E6 96.8883 3.5E4 101.2012 2.5E4 END IONS BEGIN IONS FEATURE_ID=230 PEPMASS=84.9975 SCANS=230 RTINSECONDS=120.861 CHARGE=1- MSLEVEL=2 52.4618 3.2E4 57.9921 5.2E5 66.8992 3.1E4 69.9171 2.8E4 75.3780 3.5E4 77.0968 3.7E4 85.0028 9.3E6 96.8886 4.8E4 END IONS BEGIN IONS FEATURE_ID=231 PEPMASS=84.9942 SCANS=231 RTINSECONDS=123.223 CHARGE=1- MSLEVEL=2 53.7796 3.9E4 54.9295 3.8E4 55.4395 3.4E4 56.7419 4.3E4 57.9921 5.6E5 85.0029 1.2E7 96.8900 6.4E4 END IONS BEGIN IONS FEATURE_ID=232 PEPMASS=104.0201 SCANS=232 RTINSECONDS=123.274 CHARGE=1- MSLEVEL=2 84.2705 7.7E3 85.2652 7.0E3 85.3683 7.2E3 96.8869 9.0E3 104.0238 1.6E4 END IONS BEGIN IONS FEATURE_ID=233 PEPMASS=104.0273 SCANS=233 RTINSECONDS=123.679 CHARGE=1- MSLEVEL=2 51.5119 7.0E3 54.2387 6.0E3 54.3541 6.9E3 54.9513 6.7E3 73.2539 6.9E3 84.0607 6.9E3 96.8893 3.3E4 104.0242 2.1E4 115.7811 7.0E3 117.0120 6.7E3 END IONS BEGIN IONS FEATURE_ID=234 PEPMASS=104.0294 SCANS=234 RTINSECONDS=123.704 CHARGE=1- MSLEVEL=2 51.5325 7.8E3 56.9916 8.2E3 67.3385 7.5E3 70.6013 7.0E3 75.1309 7.1E3 82.6876 8.0E3 96.0053 6.8E3 96.5585 8.3E3 96.8896 1.7E4 97.3779 8.3E3 104.0241 1.9E4 END IONS BEGIN IONS FEATURE_ID=235 PEPMASS=85.0122 SCANS=235 RTINSECONDS=123.916 CHARGE=1- MSLEVEL=2 51.5290 2.8E4 57.9919 4.2E5 60.3157 2.4E4 68.0000 4.7E4 85.0027 8.5E6 93.3013 3.2E4 96.8902 4.5E4 END IONS BEGIN IONS FEATURE_ID=236 PEPMASS=84.9959 SCANS=236 RTINSECONDS=123.92 CHARGE=1- MSLEVEL=2 57.9922 5.1E5 58.6288 3.2E4 68.0003 3.8E4 71.9721 3.6E4 84.9974 7.9E4 85.0029 1.0E7 88.3937 3.4E4 99.2137 3.7E4 END IONS BEGIN IONS FEATURE_ID=237 PEPMASS=163.0238 SCANS=237 RTINSECONDS=124.518 CHARGE=1- MSLEVEL=2 51.5265 2.2E3 65.0060 7.4E3 65.0073 3.7E3 65.0132 9.0E5 65.0204 5.3E3 71.5416 2.0E3 84.9421 2.0E3 87.8352 2.2E3 96.8889 3.4E3 102.3256 2.6E3 103.4584 2.3E3 114.9080 2.2E3 118.9915 8.0E3 119.5902 2.5E3 148.4448 2.0E3 153.2590 2.2E3 162.8380 2.3E3 163.0252 3.3E3 178.8628 2.2E3 END IONS BEGIN IONS FEATURE_ID=238 PEPMASS=105.0209 SCANS=238 RTINSECONDS=124.99 CHARGE=1- MSLEVEL=2 55.6593 2.0E3 73.6638 1.9E3 78.6461 1.9E3 87.0529 2.0E3 96.8888 3.4E3 97.9869 2.0E3 98.6289 1.9E3 102.0806 2.2E3 102.2707 2.4E3 105.0441 4.5E3 END IONS BEGIN IONS FEATURE_ID=239 PEPMASS=104.0320 SCANS=239 RTINSECONDS=125.276 CHARGE=1- MSLEVEL=2 57.1008 8.7E3 58.4374 8.9E3 80.9900 9.9E3 81.5066 8.8E3 83.9620 9.9E3 91.5908 1.0E4 96.8879 1.3E4 98.4775 1.0E4 104.0239 1.7E4 114.5738 1.1E4 END IONS BEGIN IONS FEATURE_ID=240 PEPMASS=84.9976 SCANS=240 RTINSECONDS=125.42 CHARGE=1- MSLEVEL=2 53.0550 3.8E4 53.3649 4.2E4 57.9920 6.0E5 68.0003 4.5E4 84.9890 4.6E4 85.0028 1.3E7 91.0692 4.3E4 94.2718 4.0E4 96.8895 6.0E4 END IONS BEGIN IONS FEATURE_ID=241 PEPMASS=104.0334 SCANS=241 RTINSECONDS=125.837 CHARGE=1- MSLEVEL=2 51.5107 1.0E4 51.5207 1.0E4 52.4393 9.9E3 53.9493 9.1E3 69.4608 1.0E4 77.5725 1.2E4 96.8879 1.2E4 104.0245 1.6E4 105.3430 1.2E4 122.0565 9.5E3 END IONS BEGIN IONS FEATURE_ID=242 PEPMASS=85.0058 SCANS=242 RTINSECONDS=126.128 CHARGE=1- MSLEVEL=2 51.5360 2.8E4 54.7406 2.5E4 55.3250 2.7E4 57.9920 4.8E5 60.7683 2.6E4 72.3634 3.0E4 85.0028 9.5E6 85.0135 6.2E4 96.8890 5.6E4 END IONS BEGIN IONS FEATURE_ID=243 PEPMASS=102.0116 SCANS=243 RTINSECONDS=126.784 CHARGE=1- MSLEVEL=2 51.5233 2.6E3 57.9925 2.2E3 59.0125 2.8E3 61.7949 2.2E3 70.0621 2.2E3 81.4583 2.2E3 83.2095 2.2E3 102.0082 2.1E4 116.9199 2.6E3 117.3986 2.2E3 END IONS BEGIN IONS FEATURE_ID=244 PEPMASS=84.9941 SCANS=244 RTINSECONDS=128.052 CHARGE=1- MSLEVEL=2 57.9921 6.5E5 60.4729 4.4E4 68.0001 4.1E4 85.0028 1.2E7 96.4286 3.4E4 96.8882 5.6E4 END IONS BEGIN IONS FEATURE_ID=245 PEPMASS=103.0139 SCANS=245 RTINSECONDS=128.129 CHARGE=1- MSLEVEL=2 50.6047 1.9E3 56.9624 2.2E3 59.0126 2.7E5 76.0051 4.5E4 76.7659 2.0E3 85.3192 1.8E3 86.2898 2.0E3 86.6190 2.1E3 90.2803 2.1E3 96.8900 3.5E3 103.0162 9.7E4 103.0399 2.1E3 108.0585 1.8E3 113.0765 2.1E3 END IONS BEGIN IONS FEATURE_ID=246 PEPMASS=310.9475 SCANS=246 RTINSECONDS=128.129 CHARGE=1- MSLEVEL=2 51.1687 2.8E3 51.5269 3.3E3 53.6534 2.7E3 55.1676 2.5E3 61.2554 2.2E3 82.7702 2.2E3 83.9949 3.8E4 84.9950 3.0E3 85.0027 1.5E5 87.9236 1.2E4 94.8310 2.7E3 96.8887 4.0E3 102.9344 8.7E3 103.9184 1.3E4 104.9267 1.5E4 105.9342 1.6E4 106.9423 3.4E3 111.9349 1.0E4 113.9266 6.7E3 115.9424 6.2E4 123.9446 6.0E4 124.9427 5.3E3 128.9378 2.5E4 129.9212 2.8E3 129.9445 4.3E3 131.9388 3.8E3 132.9442 5.1E3 140.9380 8.6E3 146.9480 4.8E3 147.9564 8.0E3 148.9404 1.1E4 160.9812 2.6E3 162.7377 2.4E3 173.9350 1.2E4 175.9511 7.7E3 177.4047 2.7E3 183.0124 5.6E3 183.9436 2.5E4 187.9396 3.5E3 191.9466 5.7E4 241.9370 5.8E3 242.9449 1.2E4 243.9525 7.4E3 259.9482 6.2E4 310.9477 1.4E4 311.1693 1.0E5 END IONS BEGIN IONS FEATURE_ID=247 PEPMASS=206.0808 SCANS=247 RTINSECONDS=128.717 CHARGE=1- MSLEVEL=2 52.6861 2.3E3 53.6471 2.3E3 56.3967 2.6E3 58.0286 2.7E4 66.7438 2.2E3 70.0284 1.5E4 73.6575 2.5E3 78.4912 3.0E3 91.0536 1.4E4 137.3461 2.2E3 139.9126 2.3E3 147.0437 4.0E4 162.0452 2.9E3 164.0704 1.4E5 206.0813 5.5E4 END IONS BEGIN IONS FEATURE_ID=248 PEPMASS=104.0285 SCANS=248 RTINSECONDS=128.777 CHARGE=1- MSLEVEL=2 51.7559 6.5E3 57.9384 7.0E3 95.4519 6.3E3 96.8847 7.4E3 96.8901 2.1E4 103.5095 6.5E3 104.0239 1.5E4 109.3611 6.1E3 116.4322 7.1E3 124.5297 7.0E3 END IONS BEGIN IONS FEATURE_ID=249 PEPMASS=161.0433 SCANS=249 RTINSECONDS=128.837 CHARGE=1- MSLEVEL=2 57.0333 1.2E5 58.6361 2.0E3 59.0124 5.8E4 60.4030 2.2E3 65.8289 2.1E3 76.0053 4.5E3 90.0085 2.9E3 96.8895 3.4E3 99.0434 2.7E5 101.0228 2.7E5 105.2799 2.4E3 106.0032 5.0E3 118.0032 3.7E3 143.0335 3.4E4 160.8403 5.5E3 161.0082 3.0E3 161.0440 7.4E4 END IONS BEGIN IONS FEATURE_ID=250 PEPMASS=85.0084 SCANS=250 RTINSECONDS=128.915 CHARGE=1- MSLEVEL=2 51.6394 2.8E4 57.9920 4.2E5 60.0640 2.2E4 64.8117 2.5E4 67.9999 2.7E4 85.0029 8.3E6 85.0134 4.2E4 96.8895 4.7E4 END IONS BEGIN IONS FEATURE_ID=251 PEPMASS=103.0155 SCANS=251 RTINSECONDS=130.046 CHARGE=1- MSLEVEL=2 51.5211 2.3E3 59.0125 1.2E5 69.1000 2.1E3 71.1039 2.0E3 76.0052 1.9E4 78.0484 2.0E3 92.3099 2.0E3 94.9096 2.3E3 96.8916 2.5E3 103.0161 4.5E4 103.0281 3.0E3 105.2273 2.1E3 116.5575 1.8E3 END IONS BEGIN IONS FEATURE_ID=252 PEPMASS=250.0705 SCANS=252 RTINSECONDS=130.424 CHARGE=1- MSLEVEL=2 50.7493 2.2E3 65.6393 2.4E3 71.0123 1.2E4 88.0308 2.9E3 88.0388 1.9E5 88.0461 2.8E3 88.9154 2.5E3 91.0540 1.2E4 96.8921 2.8E3 114.0181 1.8E4 115.0023 3.8E4 118.8155 2.5E3 120.4535 2.1E3 132.0287 3.6E5 133.8693 3.1E3 135.0434 1.3E4 167.6002 2.3E3 194.0714 2.5E3 206.0813 8.8E3 232.0602 2.5E3 250.0718 6.3E4 END IONS BEGIN IONS FEATURE_ID=253 PEPMASS=250.0715 SCANS=253 RTINSECONDS=130.452 CHARGE=1- MSLEVEL=2 53.2378 3.0E3 59.0125 3.8E3 70.0281 2.9E3 70.4253 3.0E3 71.0122 3.1E4 75.1951 2.8E3 76.2993 2.8E3 81.8001 3.2E3 88.0389 5.9E5 91.0537 4.6E4 96.8899 4.9E3 114.0181 4.6E4 115.0020 1.1E5 118.7525 2.9E3 132.0289 1.2E6 134.0597 6.7E3 135.0434 4.2E4 184.0409 3.6E3 185.5968 3.2E3 205.7208 3.3E3 206.0812 2.2E4 232.0593 6.2E3 238.8826 3.1E3 250.0711 1.8E5 END IONS BEGIN IONS FEATURE_ID=254 PEPMASS=84.9974 SCANS=254 RTINSECONDS=130.922 CHARGE=1- MSLEVEL=2 50.0266 2.6E4 50.7811 2.8E4 57.9919 3.5E5 58.2989 2.7E4 67.9999 3.3E4 84.9920 3.6E4 85.0027 7.1E6 89.4130 3.3E4 89.4708 2.5E4 103.3320 2.5E4 END IONS BEGIN IONS FEATURE_ID=255 PEPMASS=104.0316 SCANS=255 RTINSECONDS=131.891 CHARGE=1- MSLEVEL=2 58.6724 7.3E3 78.5656 7.4E3 104.0240 1.7E4 END IONS BEGIN IONS FEATURE_ID=256 PEPMASS=104.0294 SCANS=256 RTINSECONDS=132.299 CHARGE=1- MSLEVEL=2 53.6363 9.9E3 63.6210 8.0E3 69.3824 8.1E3 73.3720 9.1E3 73.5386 9.5E3 79.9256 7.6E3 80.7720 7.7E3 88.9662 7.7E3 96.8890 1.9E4 104.0122 9.7E3 104.0241 1.5E4 113.8771 8.8E3 END IONS BEGIN IONS FEATURE_ID=257 PEPMASS=85.0057 SCANS=257 RTINSECONDS=132.874 CHARGE=1- MSLEVEL=2 51.5397 4.1E4 57.9920 5.2E5 67.9999 3.8E4 75.1069 3.5E4 81.1969 3.1E4 84.9921 5.7E4 85.0027 1.1E7 87.6749 3.6E4 104.7215 3.0E4 END IONS BEGIN IONS FEATURE_ID=258 PEPMASS=175.0222 SCANS=258 RTINSECONDS=132.945 CHARGE=1- MSLEVEL=2 50.6031 2.1E3 51.5435 2.5E3 59.0124 1.3E5 61.4834 2.0E3 61.7951 2.1E3 62.9469 2.5E3 64.4808 2.0E3 71.0123 2.8E5 72.4237 1.9E3 96.8904 4.5E3 113.0595 2.4E3 115.0017 2.4E4 133.0123 3.6E3 135.2211 2.4E3 175.0591 3.5E3 END IONS BEGIN IONS FEATURE_ID=259 PEPMASS=163.0238 SCANS=259 RTINSECONDS=133.337 CHARGE=1- MSLEVEL=2 64.9383 2.4E3 65.0132 7.9E5 65.9319 2.2E3 83.7669 2.5E3 91.2745 2.5E3 96.8874 2.9E3 111.5172 2.2E3 118.9911 8.4E3 142.9902 2.1E3 162.8392 3.7E3 END IONS BEGIN IONS FEATURE_ID=260 PEPMASS=85.0120 SCANS=260 RTINSECONDS=133.917 CHARGE=1- MSLEVEL=2 51.5209 3.1E4 54.9324 2.6E4 56.9995 3.0E4 57.9920 4.5E5 71.3828 2.8E4 85.0028 9.9E6 96.8892 7.5E4 END IONS BEGIN IONS FEATURE_ID=261 PEPMASS=104.0272 SCANS=261 RTINSECONDS=134.036 CHARGE=1- MSLEVEL=2 50.3530 9.5E3 51.4305 9.4E3 51.5122 1.2E4 55.6509 1.0E4 55.8888 1.0E4 60.4367 1.0E4 64.6260 1.0E4 64.6292 1.2E4 71.8110 1.3E4 96.0097 1.0E4 96.8871 1.1E4 100.3272 9.7E3 104.0240 2.2E4 110.7647 1.2E4 121.1650 1.2E4 END IONS BEGIN IONS FEATURE_ID=262 PEPMASS=102.0112 SCANS=262 RTINSECONDS=134.16 CHARGE=1- MSLEVEL=2 50.4326 2.3E3 96.8631 2.1E3 96.8872 3.8E3 102.0081 2.9E4 END IONS BEGIN IONS FEATURE_ID=263 PEPMASS=85.0085 SCANS=263 RTINSECONDS=134.222 CHARGE=1- MSLEVEL=2 51.5178 3.3E4 57.9922 5.2E5 68.8635 3.5E4 85.0029 9.6E6 85.0136 5.3E4 92.9259 4.0E4 96.8873 3.9E4 END IONS BEGIN IONS FEATURE_ID=264 PEPMASS=141.0186 SCANS=264 RTINSECONDS=134.45 CHARGE=1- MSLEVEL=2 54.4373 2.1E3 54.5262 2.0E3 65.0129 1.1E4 67.5835 2.2E3 69.0329 4.8E4 80.1091 1.9E3 90.0078 5.0E3 96.8895 2.7E3 111.4546 2.2E3 114.0079 8.1E4 127.9294 7.3E3 132.3028 2.1E3 140.9375 2.5E3 141.0190 7.5E4 153.6168 2.4E3 END IONS BEGIN IONS FEATURE_ID=265 PEPMASS=104.0318 SCANS=265 RTINSECONDS=134.558 CHARGE=1- MSLEVEL=2 55.4343 7.2E3 59.8393 7.7E3 60.3149 7.0E3 60.4533 6.8E3 62.3754 7.5E3 91.5186 6.2E3 96.8894 1.2E4 102.4498 7.3E3 104.0236 1.4E4 END IONS BEGIN IONS FEATURE_ID=266 PEPMASS=102.0082 SCANS=266 RTINSECONDS=134.654 CHARGE=1- MSLEVEL=2 51.5360 2.1E3 52.4987 2.0E3 59.8560 2.2E3 60.4827 2.3E3 62.3253 2.5E3 70.7397 1.9E3 79.4615 1.9E3 80.1262 2.4E3 80.5562 2.0E3 95.0121 2.0E3 96.8874 3.2E3 102.0081 1.3E4 105.5074 1.9E3 106.7131 1.9E3 107.5287 1.9E3 111.0403 2.5E3 END IONS BEGIN IONS FEATURE_ID=267 PEPMASS=84.9942 SCANS=267 RTINSECONDS=134.782 CHARGE=1- MSLEVEL=2 57.9921 6.0E5 68.0001 5.7E4 85.0028 1.2E7 85.0133 5.8E4 89.9401 3.4E4 96.8895 6.8E4 END IONS BEGIN IONS FEATURE_ID=268 PEPMASS=128.0329 SCANS=268 RTINSECONDS=134.919 CHARGE=1- MSLEVEL=2 60.1371 2.1E3 60.4087 2.2E3 76.0048 2.5E3 82.0280 6.1E3 84.0439 3.4E3 96.8887 4.0E3 102.0075 3.8E3 127.9972 3.0E3 127.9998 3.5E3 128.0112 2.1E5 128.0333 1.4E5 146.7173 2.2E3 END IONS BEGIN IONS FEATURE_ID=269 PEPMASS=112.9862 SCANS=269 RTINSECONDS=135.052 CHARGE=1- MSLEVEL=2 51.5596 2.1E3 52.6277 1.9E3 68.9943 1.3E5 84.9916 2.5E4 85.0027 9.3E3 85.9981 4.2E3 96.8901 3.1E3 99.5585 2.2E3 112.9865 6.5E4 112.9967 1.5E4 END IONS BEGIN IONS FEATURE_ID=270 PEPMASS=84.9975 SCANS=270 RTINSECONDS=135.367 CHARGE=1- MSLEVEL=2 51.0947 3.3E4 57.9921 5.3E5 85.0028 1.1E7 94.9655 4.0E4 96.8901 5.5E4 END IONS BEGIN IONS FEATURE_ID=271 PEPMASS=375.1836 SCANS=271 RTINSECONDS=136.116 CHARGE=1- MSLEVEL=2 51.7260 2.3E3 61.6103 2.5E3 69.3907 2.5E3 87.8361 3.0E3 90.8861 2.5E3 93.1789 2.8E3 96.7151 2.5E3 96.8881 3.3E3 96.9585 3.2E5 112.4518 2.5E3 156.4470 2.9E3 166.4771 2.6E3 186.2765 2.7E3 295.2294 1.3E4 375.1168 3.2E3 375.1283 3.7E3 375.1861 2.1E5 375.2569 3.4E3 END IONS BEGIN IONS FEATURE_ID=272 PEPMASS=84.9962 SCANS=272 RTINSECONDS=137.187 CHARGE=1- MSLEVEL=2 57.9921 4.8E5 58.0948 3.5E4 59.3181 4.0E4 60.4899 4.4E4 67.9238 3.9E4 74.4025 3.6E4 77.6447 3.8E4 85.0028 8.7E6 94.5868 3.4E4 96.8911 8.1E4 END IONS BEGIN IONS FEATURE_ID=273 PEPMASS=103.0155 SCANS=273 RTINSECONDS=137.606 CHARGE=1- MSLEVEL=2 55.0679 2.3E3 55.7431 2.5E3 59.0125 1.6E5 68.2500 2.1E3 76.0051 2.7E4 86.6713 2.0E3 96.8904 2.8E3 103.0162 6.5E4 103.0284 4.4E3 END IONS BEGIN IONS FEATURE_ID=274 PEPMASS=109.9976 SCANS=274 RTINSECONDS=138.376 CHARGE=1- MSLEVEL=2 54.4872 2.2E3 54.7445 2.0E3 64.0053 7.0E4 72.0265 1.9E3 79.9998 2.9E3 96.8877 2.7E3 109.9980 8.9E4 114.4487 2.2E3 126.3792 2.2E3 END IONS BEGIN IONS FEATURE_ID=275 PEPMASS=351.1840 SCANS=275 RTINSECONDS=138.51 CHARGE=1- MSLEVEL=2 50.5312 2.6E3 51.1352 2.6E3 72.9568 5.2E3 77.3149 2.5E3 87.7572 2.4E3 90.6759 2.4E3 91.8810 2.4E3 96.8872 1.3E4 96.9585 5.5E5 153.9016 2.9E3 177.3526 2.6E3 222.0952 2.4E3 225.2210 1.2E4 271.2273 1.9E4 351.1852 3.1E5 END IONS BEGIN IONS FEATURE_ID=276 PEPMASS=373.1681 SCANS=276 RTINSECONDS=138.802 CHARGE=1- MSLEVEL=2 59.5196 2.3E3 67.7527 2.4E3 94.3367 2.6E3 96.4009 2.1E3 96.8881 4.8E3 96.9585 5.1E5 99.2916 2.8E3 142.4485 2.4E3 150.0303 2.9E3 236.3335 2.8E3 293.2114 1.7E4 354.9270 3.0E3 373.1700 1.5E5 END IONS BEGIN IONS FEATURE_ID=277 PEPMASS=115.0015 SCANS=277 RTINSECONDS=138.998 CHARGE=1- MSLEVEL=2 51.1679 2.1E3 62.3313 2.7E3 71.0124 1.8E4 72.9602 2.7E3 73.0391 2.3E3 81.2851 2.1E3 89.0124 2.2E3 95.8441 2.0E3 96.8855 4.3E3 96.8919 6.0E3 115.0031 2.0E3 115.0292 6.8E3 134.3211 2.2E3 END IONS BEGIN IONS FEATURE_ID=278 PEPMASS=191.0180 SCANS=278 RTINSECONDS=139.01 CHARGE=1- MSLEVEL=2 57.0334 8.0E3 57.4249 2.1E3 57.9104 2.0E3 58.9573 3.8E3 67.0176 3.6E3 85.0280 4.3E4 86.3342 2.1E3 87.0072 7.8E4 87.9241 3.2E3 88.8844 2.5E3 96.8884 3.2E3 102.9473 2.2E4 107.4159 2.5E3 111.0072 2.0E5 111.0167 4.3E3 111.0181 3.1E3 116.5973 2.4E3 129.0085 2.1E3 129.0166 1.1E4 146.9375 9.1E3 147.0293 2.6E3 150.4332 2.3E3 150.7164 2.5E3 173.0092 4.5E3 191.0193 2.6E4 194.4126 2.1E3 END IONS BEGIN IONS FEATURE_ID=279 PEPMASS=85.0059 SCANS=279 RTINSECONDS=139.069 CHARGE=1- MSLEVEL=2 57.9921 5.3E5 61.3068 2.9E4 63.9136 3.1E4 85.0028 9.3E6 86.0821 2.7E4 96.8875 4.0E4 97.3750 3.0E4 END IONS BEGIN IONS FEATURE_ID=280 PEPMASS=267.0652 SCANS=280 RTINSECONDS=139.156 CHARGE=1- MSLEVEL=2 50.2529 2.2E3 51.5337 2.9E3 58.8744 2.3E3 60.4814 2.6E3 68.3829 2.5E3 68.7732 2.3E3 96.8908 3.9E3 98.7322 2.4E3 113.5934 2.8E3 132.0197 7.5E3 135.1418 2.2E3 152.0324 3.7E3 171.5030 2.3E3 195.0435 4.5E3 206.2454 2.7E3 208.0513 7.1E3 223.0390 1.8E4 224.0470 7.9E3 226.9320 2.5E3 251.0338 1.7E4 252.0422 4.6E5 267.0656 5.9E5 END IONS BEGIN IONS FEATURE_ID=281 PEPMASS=105.0208 SCANS=281 RTINSECONDS=139.614 CHARGE=1- MSLEVEL=2 69.7483 1.9E3 74.3018 1.9E3 77.2813 2.6E3 78.5592 1.7E3 80.3264 2.0E3 85.9881 1.9E3 93.0156 2.0E3 93.8419 1.9E3 96.8893 5.0E3 119.5037 2.0E3 120.8340 1.8E3 END IONS BEGIN IONS FEATURE_ID=282 PEPMASS=117.0177 SCANS=282 RTINSECONDS=140.026 CHARGE=1- MSLEVEL=2 50.7564 2.3E3 53.3157 1.9E3 55.0175 4.3E3 58.0125 2.0E3 60.8969 2.2E3 65.0130 5.4E3 73.0279 1.8E5 89.0129 4.0E3 89.9974 1.9E3 90.0081 3.5E4 90.0161 1.2E4 96.8890 3.6E3 116.9269 7.3E3 117.0192 1.1E5 117.0273 8.1E3 120.9942 2.2E3 END IONS BEGIN IONS FEATURE_ID=283 PEPMASS=310.9472 SCANS=283 RTINSECONDS=140.23 CHARGE=1- MSLEVEL=2 51.5184 3.1E3 54.4328 2.5E3 57.3151 2.6E3 58.4340 2.3E3 60.4628 2.7E3 62.3217 2.3E3 69.0080 2.5E3 74.3969 2.3E3 83.9947 3.6E4 85.0026 1.3E5 87.9236 1.1E4 96.8894 6.1E3 101.9271 3.9E3 102.9346 4.1E3 103.9117 2.8E3 103.9184 1.1E4 104.9263 1.0E4 105.9339 1.5E4 106.9413 3.0E3 111.9346 7.3E3 113.9267 6.8E3 115.9423 5.9E4 123.9445 5.4E4 124.9415 4.5E3 128.5657 2.6E3 128.9377 1.5E4 129.9221 4.6E3 131.9377 2.9E3 140.9377 6.5E3 146.9478 4.1E3 147.9558 4.3E3 148.9400 8.3E3 158.3402 2.3E3 173.9351 1.2E4 175.9509 3.4E3 183.0123 6.4E3 183.9431 1.3E4 184.0186 3.1E3 191.9461 3.2E4 202.0758 2.9E3 241.9380 5.9E3 242.9459 1.3E4 243.9529 5.3E3 259.9476 4.4E4 310.9454 1.2E4 311.1687 1.3E5 END IONS BEGIN IONS FEATURE_ID=284 PEPMASS=104.0271 SCANS=284 RTINSECONDS=140.846 CHARGE=1- MSLEVEL=2 59.7042 7.1E3 79.0178 7.4E3 96.8906 1.1E4 104.0243 1.2E4 105.6628 6.9E3 118.1923 7.4E3 END IONS BEGIN IONS FEATURE_ID=285 PEPMASS=104.0318 SCANS=285 RTINSECONDS=141.06 CHARGE=1- MSLEVEL=2 58.7857 7.7E3 61.7279 7.5E3 66.9777 8.0E3 96.8896 2.3E4 99.0980 8.1E3 104.0244 2.1E4 118.8313 7.7E3 119.6205 7.4E3 END IONS BEGIN IONS FEATURE_ID=286 PEPMASS=104.0295 SCANS=286 RTINSECONDS=141.084 CHARGE=1- MSLEVEL=2 58.9465 1.2E4 78.0086 9.3E3 81.3282 9.0E3 83.3559 1.0E4 84.9387 1.0E4 96.8894 4.5E4 104.0237 1.7E4 107.5268 1.0E4 111.0671 1.0E4 END IONS BEGIN IONS FEATURE_ID=287 PEPMASS=163.0240 SCANS=287 RTINSECONDS=141.273 CHARGE=1- MSLEVEL=2 60.5853 2.1E3 65.0040 2.6E3 65.0132 8.0E5 65.0201 3.7E3 67.0037 2.3E3 96.8900 3.6E3 99.4371 2.2E3 108.1917 2.6E3 114.8230 2.0E3 116.0323 2.5E3 118.9914 8.5E3 END IONS BEGIN IONS FEATURE_ID=288 PEPMASS=104.0283 SCANS=288 RTINSECONDS=141.909 CHARGE=1- MSLEVEL=2 50.5589 9.9E3 51.5189 1.3E4 63.0759 1.0E4 66.5010 8.7E3 69.1213 9.5E3 71.7606 9.8E3 88.3061 9.8E3 98.8458 9.2E3 104.0241 2.0E4 END IONS BEGIN IONS FEATURE_ID=289 PEPMASS=84.9975 SCANS=289 RTINSECONDS=142.044 CHARGE=1- MSLEVEL=2 57.9920 6.1E5 60.4796 2.9E4 64.7556 2.9E4 68.0002 5.1E4 69.0987 3.5E4 85.0028 1.3E7 85.0135 7.3E4 96.8875 5.0E4 END IONS BEGIN IONS FEATURE_ID=290 PEPMASS=84.9960 SCANS=290 RTINSECONDS=143.235 CHARGE=1- MSLEVEL=2 57.9920 5.2E5 65.0790 3.3E4 68.0000 5.7E4 77.0351 3.0E4 84.5302 3.2E4 84.9920 8.6E4 85.0028 1.2E7 91.3351 3.8E4 95.8958 3.3E4 96.8921 3.3E4 END IONS BEGIN IONS FEATURE_ID=291 PEPMASS=165.0166 SCANS=291 RTINSECONDS=144.196 CHARGE=1- MSLEVEL=2 57.0183 1.9E3 65.0129 3.7E3 66.8481 2.1E3 69.3775 2.3E3 101.1408 2.2E3 109.9577 2.4E3 121.0278 2.6E5 137.9930 3.8E3 165.0175 3.0E4 END IONS BEGIN IONS FEATURE_ID=292 PEPMASS=102.0117 SCANS=292 RTINSECONDS=144.346 CHARGE=1- MSLEVEL=2 65.4404 2.1E3 96.8879 3.0E3 102.0081 3.1E4 103.2731 1.9E3 END IONS BEGIN IONS FEATURE_ID=293 PEPMASS=84.9977 SCANS=293 RTINSECONDS=144.508 CHARGE=1- MSLEVEL=2 50.0939 2.4E4 57.9921 3.2E5 66.8122 1.6E4 68.0003 2.0E4 70.4979 1.9E4 85.0028 7.0E6 93.3420 2.0E4 97.3548 1.8E4 END IONS BEGIN IONS FEATURE_ID=294 PEPMASS=84.9939 SCANS=294 RTINSECONDS=144.686 CHARGE=1- MSLEVEL=2 51.3320 3.6E4 57.9920 6.5E5 64.8471 3.4E4 65.8173 3.7E4 67.1471 3.8E4 67.1505 3.6E4 85.0027 1.2E7 85.5174 3.6E4 88.8930 3.2E4 96.8890 6.4E4 END IONS BEGIN IONS FEATURE_ID=295 PEPMASS=103.0135 SCANS=295 RTINSECONDS=145.466 CHARGE=1- MSLEVEL=2 55.1601 1.9E3 59.0126 2.9E5 67.9420 2.1E3 70.5821 1.9E3 76.0049 3.0E4 87.0734 2.3E3 96.8899 2.8E3 103.0162 6.7E4 103.0280 3.0E3 109.1879 2.1E3 END IONS BEGIN IONS FEATURE_ID=296 PEPMASS=85.0120 SCANS=296 RTINSECONDS=145.614 CHARGE=1- MSLEVEL=2 57.9921 6.0E5 68.0001 5.7E4 85.0028 1.2E7 85.0133 5.8E4 89.9401 3.4E4 96.8895 6.8E4 END IONS BEGIN IONS FEATURE_ID=297 PEPMASS=231.0274 SCANS=297 RTINSECONDS=145.68 CHARGE=1- MSLEVEL=2 62.7510 2.3E3 64.1191 2.2E3 79.7073 2.2E3 96.8911 3.1E3 97.6108 2.4E3 111.0072 2.7E3 130.0151 5.3E3 131.0118 2.2E5 169.0133 8.0E3 187.0389 1.1E4 231.0289 5.8E4 END IONS BEGIN IONS FEATURE_ID=298 PEPMASS=104.0271 SCANS=298 RTINSECONDS=146.51 CHARGE=1- MSLEVEL=2 54.2873 4.3E3 54.7159 4.6E3 56.5678 4.8E3 56.9062 5.2E3 57.0130 4.3E3 57.5726 4.4E3 59.0667 4.1E3 59.2255 3.9E3 59.8828 4.9E3 60.1190 4.0E3 60.4959 5.0E3 62.3922 3.8E3 64.3690 5.5E3 64.4615 4.7E3 65.5707 4.4E3 66.2459 4.7E3 67.2636 4.0E3 68.0264 4.1E3 68.0574 4.2E3 68.1887 5.9E3 68.3570 4.2E3 71.8700 5.0E3 72.3484 4.2E3 74.2977 4.5E3 75.3257 4.2E3 76.9945 4.6E3 78.0853 4.5E3 78.5151 4.4E3 80.0272 4.8E3 80.1523 4.8E3 80.9162 4.5E3 83.0888 4.0E3 85.0575 4.8E3 85.5695 4.7E3 86.9228 4.7E3 88.1898 4.5E3 90.9272 4.3E3 91.9269 4.4E3 92.9978 4.5E3 93.1849 4.7E3 93.2380 4.5E3 94.1589 4.1E3 96.0379 5.2E3 96.8906 5.2E3 99.4385 4.3E3 99.8986 4.8E3 99.9099 4.8E3 101.6287 5.8E3 104.0240 2.1E4 106.9044 4.2E3 107.5469 4.2E3 112.0111 4.2E3 116.0040 5.7E3 120.7725 4.8E3 END IONS BEGIN IONS FEATURE_ID=299 PEPMASS=205.0122 SCANS=299 RTINSECONDS=146.687 CHARGE=1- MSLEVEL=2 70.0089 2.5E3 73.0276 2.1E3 85.0275 2.7E3 87.0047 1.9E4 95.9966 2.2E3 96.8908 3.8E3 105.0154 4.6E4 111.0071 2.4E4 113.8599 2.0E3 131.0118 1.1E5 143.0137 4.7E3 149.0229 5.6E3 154.9964 4.1E3 158.0109 3.5E3 159.0069 3.2E5 161.0224 8.2E3 161.0417 6.6E3 196.3912 2.2E3 205.0131 9.1E3 END IONS BEGIN IONS FEATURE_ID=300 PEPMASS=105.0151 SCANS=300 RTINSECONDS=146.706 CHARGE=1- MSLEVEL=2 51.5175 2.0E3 65.9242 1.8E3 70.1422 2.0E3 82.9277 2.0E3 88.8184 1.9E3 96.4018 1.8E3 96.8904 2.8E3 102.4367 2.3E3 END IONS BEGIN IONS FEATURE_ID=301 PEPMASS=104.0294 SCANS=301 RTINSECONDS=146.741 CHARGE=1- MSLEVEL=2 50.1438 8.3E3 50.9986 9.7E3 62.8239 8.1E3 72.0751 9.2E3 80.6199 9.4E3 96.8849 3.0E4 96.8911 4.6E4 96.8987 9.3E3 99.5934 7.8E3 104.0238 2.0E4 109.3114 8.1E3 END IONS BEGIN IONS FEATURE_ID=302 PEPMASS=204.0157 SCANS=302 RTINSECONDS=146.77 CHARGE=1- MSLEVEL=2 58.0260 2.2E3 58.0286 1.0E4 71.0124 2.7E3 73.0280 4.0E3 78.9502 2.3E3 86.0088 1.1E4 87.2432 2.5E3 88.0386 4.1E4 96.0435 2.7E3 96.8885 4.4E3 104.0192 2.7E4 113.4377 2.2E3 120.6313 2.6E3 130.0154 9.3E4 130.0490 3.5E4 132.0659 3.1E3 148.0257 3.8E3 158.0106 2.6E5 160.0267 5.4E3 160.0464 3.8E3 204.0161 6.0E3 204.0876 1.0E4 END IONS BEGIN IONS FEATURE_ID=303 PEPMASS=204.0021 SCANS=303 RTINSECONDS=146.948 CHARGE=1- MSLEVEL=2 51.6161 2.5E3 56.5283 2.3E3 70.9868 4.8E3 81.0267 3.0E3 92.9875 1.2E4 96.8946 2.9E3 98.9963 5.5E3 99.0363 7.8E3 99.9170 6.2E3 101.0153 8.8E3 110.5359 2.5E3 116.9186 6.6E4 116.9859 2.3E4 120.8868 5.5E3 120.9805 2.7E4 125.0139 4.3E4 130.0064 1.8E5 131.0027 1.6E5 136.8911 7.2E3 136.9910 3.6E3 137.8880 1.3E4 140.9852 1.1E4 141.9169 8.1E4 142.9132 3.1E5 143.0230 2.9E3 143.9137 5.9E3 144.9787 8.2E3 145.0021 1.2E4 148.0161 3.4E3 149.0117 6.5E3 157.9994 4.0E5 158.9956 3.5E5 159.0091 5.4E3 159.9264 3.4E4 160.0135 5.4E3 160.2028 2.6E3 160.9226 1.3E5 161.0114 6.7E3 161.9223 3.3E3 164.9839 2.3E4 166.1302 2.3E3 174.9837 2.3E3 184.9886 5.8E3 187.0100 1.2E4 188.7582 2.5E3 203.9313 5.8E3 204.0021 7.0E3 204.9267 1.4E4 204.9751 8.0E3 204.9969 1.2E4 205.0188 7.7E3 END IONS BEGIN IONS FEATURE_ID=304 PEPMASS=204.9988 SCANS=304 RTINSECONDS=146.948 CHARGE=1- MSLEVEL=2 70.8181 2.2E3 70.9870 6.7E3 92.9874 1.7E4 96.8971 3.4E3 98.9963 7.4E3 99.0365 6.9E3 99.9169 7.6E3 101.0156 4.4E3 112.9929 2.7E3 115.0303 4.2E3 116.9186 4.6E4 116.9856 2.9E4 117.9186 7.5E3 120.8866 5.7E3 120.9804 4.2E4 125.0137 2.3E4 125.3412 2.1E3 125.8630 3.5E3 129.2671 2.7E3 130.0063 3.7E3 131.0027 2.5E5 131.0105 3.8E3 131.0131 4.7E3 136.9904 3.3E3 137.8882 2.5E4 140.4021 2.6E3 140.9854 1.7E4 141.9166 6.6E3 141.9361 2.4E3 142.8644 2.5E3 142.9132 3.0E5 143.0227 3.7E3 143.9129 3.2E4 144.9784 1.1E4 145.0021 7.8E3 149.0123 6.8E3 157.9998 5.4E3 158.1709 2.5E3 158.9957 5.1E5 159.9945 3.7E3 160.9226 1.3E5 161.0107 1.4E4 161.9224 1.5E4 164.9837 4.3E4 184.9891 1.4E4 186.9183 4.0E3 187.0104 4.4E3 200.5074 2.5E3 204.9271 1.8E4 204.9772 1.2E4 204.9966 1.2E4 205.0165 6.5E3 END IONS BEGIN IONS FEATURE_ID=305 PEPMASS=105.0081 SCANS=305 RTINSECONDS=147.01 CHARGE=1- MSLEVEL=2 55.3493 2.0E3 60.3897 2.3E3 61.1792 1.9E3 66.2432 2.1E3 69.7073 2.0E3 80.6917 2.2E3 96.7072 2.1E3 106.0321 3.5E3 END IONS BEGIN IONS FEATURE_ID=306 PEPMASS=84.9977 SCANS=306 RTINSECONDS=147.424 CHARGE=1- MSLEVEL=2 50.4857 2.8E4 51.5194 3.2E4 55.7287 3.2E4 57.9921 5.6E5 59.3137 2.7E4 59.3991 2.9E4 60.4656 3.1E4 67.9960 3.0E4 67.9999 7.0E4 85.0028 1.1E7 85.0165 3.7E4 END IONS BEGIN IONS FEATURE_ID=307 PEPMASS=135.9689 SCANS=307 RTINSECONDS=148.77 CHARGE=1- MSLEVEL=2 51.5414 2.4E3 55.2408 2.0E3 56.8418 2.1E3 65.0131 2.7E3 70.5265 2.1E3 79.9557 9.2E3 80.1295 2.1E3 80.9636 6.5E4 96.8902 2.3E3 105.9588 1.8E4 120.6008 2.4E3 135.9696 4.0E5 136.0132 2.0E3 142.7290 2.0E3 146.7779 2.2E3 END IONS BEGIN IONS FEATURE_ID=308 PEPMASS=104.0321 SCANS=308 RTINSECONDS=148.986 CHARGE=1- MSLEVEL=2 55.4268 1.1E4 56.2635 7.8E3 57.1692 7.8E3 60.4185 1.0E4 62.9254 8.1E3 63.3088 7.7E3 72.8570 1.0E4 87.7577 1.1E4 96.8878 1.1E4 104.0241 2.0E4 113.7375 8.6E3 END IONS BEGIN IONS FEATURE_ID=309 PEPMASS=102.0083 SCANS=309 RTINSECONDS=149.06 CHARGE=1- MSLEVEL=2 53.6179 2.4E3 53.9010 2.0E3 76.3966 1.8E3 77.2909 2.0E3 77.7846 2.3E3 83.5926 2.3E3 94.0586 2.0E3 96.8909 3.3E3 98.5154 2.0E3 102.0080 1.6E4 105.7543 2.0E3 109.9217 1.9E3 119.0956 2.3E3 END IONS BEGIN IONS FEATURE_ID=310 PEPMASS=105.0209 SCANS=310 RTINSECONDS=149.068 CHARGE=1- MSLEVEL=2 58.9895 2.0E3 68.0990 2.1E3 68.3340 2.0E3 68.5649 1.8E3 69.5374 2.2E3 70.2797 2.7E3 73.4853 2.4E3 84.5670 1.9E3 86.0207 1.9E3 96.8858 2.3E3 96.8912 3.3E3 END IONS BEGIN IONS FEATURE_ID=311 PEPMASS=84.9941 SCANS=311 RTINSECONDS=149.328 CHARGE=1- MSLEVEL=2 51.5213 3.9E4 57.9921 5.3E5 60.4661 3.5E4 62.0320 2.9E4 68.0001 4.6E4 71.9599 3.7E4 79.8971 3.2E4 85.0028 1.0E7 85.0134 5.5E4 91.5251 3.6E4 END IONS BEGIN IONS FEATURE_ID=312 PEPMASS=112.9837 SCANS=312 RTINSECONDS=149.532 CHARGE=1- MSLEVEL=2 68.9943 3.7E5 74.4179 2.2E3 85.0024 4.5E3 85.9978 3.9E3 95.0974 2.0E3 112.9839 1.4E4 112.9976 1.1E4 118.5483 2.1E3 END IONS BEGIN IONS FEATURE_ID=313 PEPMASS=104.0200 SCANS=313 RTINSECONDS=149.59 CHARGE=1- MSLEVEL=2 51.5194 6.1E3 59.3918 5.9E3 67.5668 5.5E3 70.9853 6.4E3 72.5998 5.5E3 89.3841 7.6E3 94.7965 6.5E3 104.0240 1.4E4 124.3754 6.0E3 END IONS BEGIN IONS FEATURE_ID=314 PEPMASS=160.9226 SCANS=314 RTINSECONDS=149.744 CHARGE=1- MSLEVEL=2 73.0226 3.4E3 73.2990 2.8E3 79.3969 2.3E3 82.6356 2.9E3 85.0219 9.4E3 85.0665 2.4E3 86.9991 2.2E3 88.7491 2.4E3 92.9874 3.8E3 94.9856 3.4E3 96.8937 3.7E3 99.9169 1.1E4 112.0354 5.8E3 112.9949 3.3E3 113.0319 1.2E5 113.0399 4.0E3 114.0353 3.2E3 115.0109 6.7E3 115.9110 8.4E3 116.9015 9.5E3 116.9186 1.3E6 116.9316 6.1E3 116.9359 8.6E3 116.9407 4.0E3 117.9186 1.4E5 118.9149 7.6E3 120.9804 9.2E3 124.7958 2.4E3 131.0412 8.3E3 140.9861 6.0E3 141.0040 3.8E3 141.9170 4.4E3 142.6340 2.7E3 142.9132 4.8E5 143.9132 4.4E4 160.8291 3.7E3 160.8792 7.9E3 160.9225 2.6E5 161.0101 3.3E3 161.0221 4.2E3 161.0496 4.4E4 161.8809 5.1E3 161.9224 2.8E4 162.0501 3.6E3 END IONS BEGIN IONS FEATURE_ID=315 PEPMASS=181.0576 SCANS=315 RTINSECONDS=150.329 CHARGE=1- MSLEVEL=2 56.7377 1.9E3 60.6004 2.1E3 64.0976 2.1E3 65.4647 2.0E3 77.6807 2.3E3 84.0175 2.0E3 92.9113 4.8E3 92.9875 3.5E3 93.0261 2.2E3 94.9855 4.4E3 96.8952 2.4E3 96.9515 1.5E4 97.9229 2.4E3 102.2435 2.1E3 102.4386 2.3E3 108.9812 1.0E4 114.9243 1.2E4 116.9183 3.3E3 117.0059 1.2E4 120.9805 3.0E3 132.9797 9.8E3 134.9935 5.7E3 136.9700 3.4E3 137.0122 3.1E3 138.0087 3.8E3 140.9858 5.0E3 143.9211 6.6E3 152.9845 2.4E3 160.9729 1.0E4 160.9900 4.2E3 180.8679 2.8E3 180.9614 4.6E3 180.9764 3.0E4 180.9978 6.9E3 END IONS BEGIN IONS FEATURE_ID=316 PEPMASS=163.0238 SCANS=316 RTINSECONDS=150.336 CHARGE=1- MSLEVEL=2 51.5334 2.5E3 54.7945 2.2E3 56.1479 2.2E3 59.0125 1.7E4 60.7971 2.5E3 65.0132 9.3E5 65.0203 6.6E3 96.8904 3.5E3 101.0234 3.5E3 113.0404 2.8E3 118.9912 6.9E3 125.7972 2.4E3 162.8376 1.4E4 163.0585 4.5E3 178.3399 2.2E3 END IONS BEGIN IONS FEATURE_ID=317 PEPMASS=103.0152 SCANS=317 RTINSECONDS=150.572 CHARGE=1- MSLEVEL=2 52.1371 2.5E3 59.0124 1.3E5 61.2108 2.2E3 76.0049 1.7E4 83.3137 1.9E3 96.8888 2.8E3 103.0162 4.7E4 103.0282 4.0E3 123.1157 2.0E3 END IONS BEGIN IONS FEATURE_ID=318 PEPMASS=181.0690 SCANS=318 RTINSECONDS=150.684 CHARGE=1- MSLEVEL=2 53.4034 2.1E3 56.9863 2.4E3 82.8509 1.9E3 83.0233 6.5E3 90.0658 1.9E3 95.3869 2.2E3 96.1695 2.6E3 136.9087 2.9E3 191.6608 2.3E3 END IONS BEGIN IONS FEATURE_ID=319 PEPMASS=310.9468 SCANS=319 RTINSECONDS=151.447 CHARGE=1- MSLEVEL=2 51.4203 2.7E3 77.0347 2.9E3 77.6669 2.6E3 83.9948 2.4E4 85.0026 1.1E5 87.9235 6.0E3 101.9264 2.7E3 102.9350 6.9E3 103.9185 1.0E4 104.9267 1.0E4 105.9343 1.2E4 106.9424 2.6E3 111.0336 2.9E3 111.9349 7.0E3 113.9267 5.7E3 115.9424 5.4E4 118.9212 2.2E3 123.9443 4.4E4 124.9435 3.2E3 128.9373 1.3E4 129.9455 3.2E3 132.9451 3.0E3 140.9382 8.0E3 146.9480 3.8E3 147.9565 7.0E3 148.9403 5.7E3 156.9344 2.6E3 173.9366 7.0E3 175.9520 5.3E3 183.9437 1.4E4 184.0195 3.6E3 188.4264 2.4E3 191.9464 2.9E4 199.5942 2.5E3 241.9376 6.0E3 242.9462 1.0E4 243.9520 5.4E3 259.9472 3.4E4 272.4962 2.5E3 310.9490 8.7E3 311.1685 6.1E4 END IONS BEGIN IONS FEATURE_ID=320 PEPMASS=431.1181 SCANS=320 RTINSECONDS=154.118 CHARGE=1- MSLEVEL=2 57.0333 3.3E5 57.0373 4.5E3 58.5530 3.2E3 59.0123 3.6E4 60.9497 3.0E3 63.5033 2.9E3 64.5629 2.6E3 69.0333 3.4E3 71.0122 1.9E4 73.0279 4.8E3 76.2388 2.8E3 81.0329 3.3E3 83.0119 3.5E3 85.0278 4.0E3 96.8950 3.8E3 97.0276 4.6E4 99.0435 2.7E5 101.0226 6.4E4 113.0222 1.0E4 125.0225 5.1E5 125.0411 3.8E3 143.0326 8.6E3 161.0440 2.0E4 203.0545 1.1E4 225.0770 4.1E3 243.0862 1.1E4 287.0046 3.0E3 329.0877 2.8E4 369.1196 1.4E4 405.8038 3.1E3 431.1203 5.2E4 END IONS BEGIN IONS FEATURE_ID=321 PEPMASS=191.0177 SCANS=321 RTINSECONDS=154.123 CHARGE=11- MSLEVEL=2 146.9369 5.9E3 152.8350 2.1E3 170.9858 2.6E3 173.0073 2.5E3 191.0184 1.7E4 279.1904 2.3E3 350.6375 2.2E3 690.0105 2.4E3 988.0670 2.8E3 1266.3784 2.6E3 1815.0900 2.7E3 END IONS BEGIN IONS FEATURE_ID=322 PEPMASS=84.9958 SCANS=322 RTINSECONDS=154.291 CHARGE=1- MSLEVEL=2 50.6944 3.7E4 57.9921 5.2E5 66.7626 4.2E4 68.0001 5.8E4 84.9921 7.2E4 85.0029 1.1E7 90.5558 3.8E4 91.7573 3.3E4 END IONS BEGIN IONS FEATURE_ID=323 PEPMASS=393.1749 SCANS=323 RTINSECONDS=154.697 CHARGE=1- MSLEVEL=2 54.0675 2.2E3 59.0124 5.8E3 67.1901 2.6E3 71.0122 6.4E3 75.0073 7.7E3 85.0279 1.0E4 87.0070 5.2E3 95.0118 3.8E3 99.0068 3.2E3 107.4718 2.4E3 113.0226 1.3E4 116.0519 2.2E3 123.9190 2.4E3 143.1061 7.7E4 151.7939 2.3E3 179.1049 2.5E3 224.9700 2.5E3 249.0597 1.4E4 365.3832 3.1E3 393.1770 7.2E4 END IONS BEGIN IONS FEATURE_ID=324 PEPMASS=104.0317 SCANS=324 RTINSECONDS=155.687 CHARGE=1- MSLEVEL=2 50.9230 5.2E3 51.5238 4.9E3 51.9220 6.4E3 52.8893 6.0E3 53.1930 6.0E3 53.2098 6.9E3 53.2192 5.9E3 53.9659 5.7E3 54.2016 6.4E3 55.3634 7.4E3 56.4288 5.6E3 57.0885 5.8E3 57.6362 5.9E3 57.6827 6.2E3 58.9995 5.8E3 59.3028 6.0E3 59.3329 6.5E3 59.3387 7.8E3 60.3216 4.9E3 60.3820 5.5E3 60.4681 5.9E3 60.6849 5.7E3 61.3525 5.8E3 61.9665 6.3E3 62.6776 6.2E3 63.2596 6.0E3 63.6891 6.4E3 64.1496 6.2E3 66.3104 6.5E3 66.8059 5.6E3 67.0277 5.7E3 68.2653 5.9E3 68.8056 6.0E3 69.0279 6.2E3 69.5462 5.7E3 71.1562 6.1E3 72.2610 6.6E3 72.4544 7.9E3 73.4721 5.9E3 75.6285 6.9E3 75.8154 5.6E3 76.7168 5.3E3 77.6366 6.9E3 78.0271 6.2E3 78.2229 6.4E3 79.2531 6.7E3 82.0782 5.4E3 82.2578 5.9E3 82.5719 5.0E3 82.9887 5.9E3 84.2303 5.8E3 84.8437 6.1E3 85.0371 5.3E3 85.1626 5.8E3 87.4192 5.6E3 92.7310 6.4E3 96.8887 9.0E3 97.2874 7.2E3 98.1561 5.9E3 98.5986 7.2E3 98.7978 6.7E3 104.0236 2.5E4 107.5004 5.9E3 109.1337 6.3E3 110.6922 5.8E3 111.1621 6.1E3 115.6727 7.1E3 116.0102 6.1E3 116.7736 6.9E3 118.1460 6.7E3 124.4544 5.7E3 END IONS BEGIN IONS FEATURE_ID=325 PEPMASS=85.0059 SCANS=325 RTINSECONDS=155.716 CHARGE=1- MSLEVEL=2 53.1789 3.5E4 57.9922 4.9E5 61.8901 3.0E4 69.0125 3.2E4 71.9514 3.3E4 79.4649 3.0E4 85.0029 1.0E7 85.0135 5.4E4 97.4714 3.0E4 END IONS BEGIN IONS FEATURE_ID=326 PEPMASS=85.0120 SCANS=326 RTINSECONDS=156.331 CHARGE=1- MSLEVEL=2 57.9921 6.9E5 66.0101 3.8E4 68.0000 5.6E4 85.0028 1.2E7 96.8854 4.2E4 96.8909 3.9E4 END IONS BEGIN IONS FEATURE_ID=327 PEPMASS=84.9941 SCANS=327 RTINSECONDS=157.231 CHARGE=1- MSLEVEL=2 52.7150 4.2E4 55.0756 4.3E4 57.9921 7.7E5 67.9996 6.1E4 85.0028 1.4E7 94.4814 4.0E4 96.8897 6.4E4 END IONS BEGIN IONS FEATURE_ID=328 PEPMASS=103.0133 SCANS=328 RTINSECONDS=157.615 CHARGE=1- MSLEVEL=2 58.5986 2.2E3 59.0127 6.1E5 67.0224 1.9E3 76.0051 2.3E4 92.1454 2.2E3 96.8916 2.3E3 103.0023 1.4E4 103.0160 6.1E4 103.0285 3.2E3 END IONS BEGIN IONS FEATURE_ID=329 PEPMASS=112.9837 SCANS=329 RTINSECONDS=158.027 CHARGE=1- MSLEVEL=2 52.9021 2.0E3 53.5570 2.2E3 68.9943 2.5E5 68.9997 2.9E3 85.0027 3.4E3 85.9982 2.8E3 95.6035 2.0E3 96.8875 2.5E3 112.9846 8.1E3 112.9973 1.3E4 114.7352 2.3E3 115.7753 2.0E3 END IONS BEGIN IONS FEATURE_ID=330 PEPMASS=134.0457 SCANS=330 RTINSECONDS=158.363 CHARGE=1- MSLEVEL=2 65.0130 8.0E3 68.0238 9.7E3 70.6977 3.7E3 72.8080 3.9E3 80.0238 4.1E3 89.2937 3.7E3 92.0236 9.0E4 107.0346 4.6E5 111.5638 3.7E3 114.4715 3.9E3 134.0459 1.9E6 134.8637 3.2E4 END IONS BEGIN IONS FEATURE_ID=331 PEPMASS=105.0208 SCANS=331 RTINSECONDS=158.514 CHARGE=1- MSLEVEL=2 50.2769 1.7E3 50.3520 1.5E3 50.8643 1.9E3 51.3734 1.8E3 51.7879 1.5E3 51.8288 1.8E3 52.6023 1.6E3 55.0549 1.6E3 55.3788 1.4E3 55.8331 1.6E3 57.4073 1.3E3 58.1649 1.6E3 59.1593 2.0E3 60.6768 1.8E3 61.3049 1.7E3 61.6042 1.7E3 61.6350 1.6E3 61.6382 1.8E3 62.3126 1.8E3 66.3978 1.7E3 67.7272 1.8E3 69.6141 1.7E3 70.1204 1.6E3 70.9706 1.8E3 71.7991 1.6E3 73.6178 1.7E3 74.5116 1.6E3 75.7208 1.8E3 76.2214 1.6E3 76.7845 1.7E3 78.1472 1.5E3 78.6697 1.9E3 79.2857 1.5E3 81.1853 1.7E3 81.9394 1.6E3 82.8394 1.9E3 87.1772 1.8E3 88.6591 1.6E3 89.8019 1.7E3 89.8607 2.0E3 89.9048 1.7E3 92.4320 1.7E3 94.0488 1.6E3 94.2811 1.6E3 96.0658 1.6E3 96.6597 1.5E3 96.8917 1.7E3 101.5118 1.6E3 101.7525 1.7E3 103.1200 1.7E3 104.6303 1.6E3 105.0439 4.6E3 105.9586 1.8E3 106.1550 1.9E3 107.6405 1.8E3 108.5764 2.0E3 109.1590 1.9E3 109.4760 1.7E3 110.1230 1.5E3 111.4281 1.9E3 111.5997 1.6E3 111.8166 2.0E3 113.4423 1.5E3 113.7231 2.1E3 115.4441 1.5E3 115.9373 1.6E3 117.2702 1.9E3 121.3018 1.6E3 124.0468 1.8E3 END IONS BEGIN IONS FEATURE_ID=332 PEPMASS=163.0240 SCANS=332 RTINSECONDS=158.669 CHARGE=1- MSLEVEL=2 54.4698 2.1E3 58.3954 2.4E3 60.0951 2.0E3 65.0132 8.1E5 65.0204 6.0E3 81.1380 2.1E3 89.7713 2.1E3 96.8898 3.1E3 107.4727 2.4E3 109.8801 2.3E3 118.9915 2.5E3 162.8375 1.9E4 END IONS BEGIN IONS FEATURE_ID=333 PEPMASS=104.0271 SCANS=333 RTINSECONDS=159.082 CHARGE=1- MSLEVEL=2 50.1438 8.3E3 50.9986 9.7E3 62.8239 8.1E3 72.0751 9.2E3 80.6199 9.4E3 96.8849 3.0E4 96.8911 4.6E4 96.8987 9.3E3 99.5934 7.8E3 104.0238 2.0E4 109.3114 8.1E3 END IONS BEGIN IONS FEATURE_ID=334 PEPMASS=104.0295 SCANS=334 RTINSECONDS=159.109 CHARGE=1- MSLEVEL=2 61.6314 6.9E3 71.1069 8.1E3 76.7895 8.0E3 78.6392 7.2E3 93.7263 7.5E3 95.1240 6.9E3 96.8911 7.7E3 104.0239 1.5E4 106.3483 8.2E3 107.4996 8.2E3 110.2523 8.3E3 END IONS BEGIN IONS FEATURE_ID=335 PEPMASS=84.9976 SCANS=335 RTINSECONDS=160.799 CHARGE=1- MSLEVEL=2 57.9920 6.0E5 59.7876 4.1E4 85.0028 1.3E7 96.8885 7.3E4 END IONS BEGIN IONS FEATURE_ID=336 PEPMASS=449.1177 SCANS=336 RTINSECONDS=161.011 CHARGE=1- MSLEVEL=2 60.8832 2.7E3 62.9581 1.5E4 73.2226 2.4E3 78.9518 4.2E4 80.9672 3.3E4 96.8958 3.7E3 98.9987 3.1E3 122.9254 3.0E3 148.9885 2.6E3 182.5390 2.8E3 191.5222 3.2E3 242.9660 4.6E3 385.1514 9.9E3 449.1174 7.2E4 450.1211 1.1E4 END IONS BEGIN IONS FEATURE_ID=337 PEPMASS=188.0536 SCANS=337 RTINSECONDS=161.435 CHARGE=1- MSLEVEL=2 50.4894 2.3E3 58.0286 1.3E4 59.0124 3.9E4 64.0053 2.5E3 65.0129 2.1E4 65.9969 5.1E3 80.3626 2.8E3 81.0513 2.2E3 81.3832 2.2E3 87.9237 5.2E3 96.8863 2.3E3 96.8916 2.7E3 98.9392 2.4E3 99.9238 4.1E3 99.9474 7.1E4 100.0390 2.7E3 100.0752 2.0E4 102.0545 9.3E4 116.1302 2.1E3 126.0547 9.1E3 126.2915 2.0E3 128.0334 1.2E5 133.6300 2.1E3 139.8211 2.5E3 141.0187 3.7E3 141.8671 6.6E3 143.9372 2.2E4 144.0650 4.4E4 146.0444 1.2E4 152.6377 2.1E3 159.4267 2.0E3 159.8787 3.0E3 170.0440 3.9E4 188.0553 4.9E4 END IONS BEGIN IONS FEATURE_ID=338 PEPMASS=188.0545 SCANS=338 RTINSECONDS=161.572 CHARGE=1- MSLEVEL=2 50.4272 2.3E3 58.0286 7.9E3 59.0123 5.2E4 61.3865 2.1E3 65.0130 1.8E4 65.9973 3.3E3 84.0440 3.2E3 87.9237 3.5E3 93.3953 2.1E3 96.8882 3.9E3 99.9254 2.9E3 99.9336 2.2E3 99.9475 7.4E4 100.0389 3.6E3 100.0751 3.3E4 102.0544 1.4E5 111.5662 2.3E3 126.0547 1.1E4 128.0335 1.5E5 128.3309 2.7E3 141.0192 2.7E3 141.8672 5.5E3 143.9376 2.1E4 144.0651 6.2E4 146.0446 1.5E4 170.0446 3.9E4 175.7547 2.4E3 188.0554 5.5E4 END IONS BEGIN IONS FEATURE_ID=339 PEPMASS=84.9958 SCANS=339 RTINSECONDS=161.76 CHARGE=1- MSLEVEL=2 55.3338 3.8E4 56.9945 3.9E4 57.9922 6.1E5 63.9407 3.2E4 70.6596 3.9E4 71.8024 4.5E4 85.0028 1.2E7 90.0886 3.5E4 END IONS BEGIN IONS FEATURE_ID=340 PEPMASS=86.0056 SCANS=340 RTINSECONDS=161.794 CHARGE=1- MSLEVEL=2 51.5175 2.0E3 57.9921 8.5E3 58.9890 2.4E3 58.9955 6.7E3 73.2599 3.1E3 76.4474 2.6E3 86.0000 7.5E4 86.0062 2.3E5 89.1543 1.7E3 89.1617 1.8E3 89.4519 2.1E3 95.5528 2.2E3 96.8857 5.0E3 96.8921 4.9E3 END IONS BEGIN IONS FEATURE_ID=341 PEPMASS=104.0317 SCANS=341 RTINSECONDS=161.905 CHARGE=1- MSLEVEL=2 62.7278 8.1E3 63.4472 7.4E3 79.1877 1.0E4 96.8885 1.4E4 104.0239 2.8E4 110.1964 7.4E3 111.1676 9.3E3 END IONS BEGIN IONS FEATURE_ID=342 PEPMASS=663.3739 SCANS=342 RTINSECONDS=162.265 CHARGE=1- MSLEVEL=2 51.5473 2.9E3 54.6203 2.8E3 57.3393 3.9E3 58.2416 3.1E3 59.0124 4.6E4 60.4964 3.4E3 61.8970 2.8E3 62.0143 2.8E3 66.8467 3.1E3 71.0123 3.8E4 73.7083 3.2E3 85.0279 3.7E3 89.0226 4.4E4 95.0119 3.4E3 96.8879 5.9E3 101.0227 3.1E4 113.0228 2.0E4 117.4046 3.1E3 119.0333 2.0E4 131.0344 5.2E3 133.8913 2.9E3 143.0335 5.0E3 179.0546 1.2E4 186.1441 3.1E3 235.0977 2.9E3 258.6943 3.2E3 275.1139 3.9E3 285.3643 3.7E3 310.5052 4.2E3 439.3214 8.7E4 581.3078 3.1E3 581.4125 4.0E3 663.3792 1.2E5 END IONS BEGIN IONS FEATURE_ID=343 PEPMASS=108.0183 SCANS=343 RTINSECONDS=162.512 CHARGE=1- MSLEVEL=2 58.4929 1.7E3 64.0051 2.7E3 65.0130 7.5E3 65.9970 4.8E3 68.0002 2.2E3 69.4844 1.9E3 80.0001 2.1E3 90.0079 3.7E4 96.0958 1.9E3 96.8867 3.6E3 97.6385 2.1E3 108.0190 1.3E4 108.0306 1.8E3 END IONS BEGIN IONS FEATURE_ID=344 PEPMASS=85.0057 SCANS=344 RTINSECONDS=162.637 CHARGE=1- MSLEVEL=2 57.9921 4.3E5 82.8294 2.7E4 85.0029 9.3E6 85.0134 4.7E4 85.6723 2.8E4 96.8901 3.4E4 101.9018 2.8E4 END IONS BEGIN IONS FEATURE_ID=345 PEPMASS=103.0153 SCANS=345 RTINSECONDS=162.826 CHARGE=1- MSLEVEL=2 51.5243 2.4E3 56.8877 2.3E3 59.0124 1.0E5 75.4319 2.0E3 75.4376 2.0E3 76.0052 1.6E4 82.4662 1.8E3 85.5455 2.4E3 96.8855 2.4E3 103.0162 5.1E4 103.0281 3.6E3 END IONS BEGIN IONS FEATURE_ID=346 PEPMASS=85.0001 SCANS=346 RTINSECONDS=162.988 CHARGE=1- MSLEVEL=2 51.5264 3.0E4 57.9919 3.9E5 60.1149 3.1E4 66.9642 2.5E4 81.3496 2.9E4 82.8817 2.7E4 85.0027 7.9E6 88.8611 3.1E4 97.9344 3.4E4 END IONS BEGIN IONS FEATURE_ID=347 PEPMASS=84.9942 SCANS=347 RTINSECONDS=163.967 CHARGE=1- MSLEVEL=2 54.2656 4.0E4 57.9920 5.9E5 66.2170 3.3E4 68.0002 6.0E4 75.9811 3.3E4 85.0028 1.2E7 85.0135 7.4E4 91.4458 4.1E4 96.8867 3.6E4 96.8924 3.8E4 END IONS BEGIN IONS FEATURE_ID=348 PEPMASS=104.0292 SCANS=348 RTINSECONDS=164.835 CHARGE=1- MSLEVEL=2 54.5819 8.0E3 55.9714 7.1E3 63.2009 8.2E3 64.0767 7.7E3 65.3148 7.7E3 75.7186 8.8E3 92.7093 7.6E3 96.8908 1.0E4 98.7460 8.0E3 104.0241 2.3E4 113.9943 8.4E3 END IONS BEGIN IONS FEATURE_ID=349 PEPMASS=84.9959 SCANS=349 RTINSECONDS=165.188 CHARGE=1- MSLEVEL=2 57.9921 6.0E5 65.7940 3.8E4 85.0028 1.3E7 96.8877 6.0E4 101.6893 3.9E4 END IONS BEGIN IONS FEATURE_ID=350 PEPMASS=104.0319 SCANS=350 RTINSECONDS=165.374 CHARGE=1- MSLEVEL=2 50.3794 5.3E3 50.5805 5.4E3 51.5170 5.7E3 57.0886 5.7E3 61.3013 5.9E3 65.2624 5.9E3 69.4367 5.3E3 104.0237 1.6E4 END IONS BEGIN IONS FEATURE_ID=351 PEPMASS=163.0239 SCANS=351 RTINSECONDS=166.511 CHARGE=1- MSLEVEL=2 65.0060 5.7E3 65.0132 8.9E5 65.3768 2.1E3 75.9433 2.0E3 78.3805 2.0E3 96.8873 3.3E3 118.9911 6.2E3 128.4134 2.0E3 141.5531 2.3E3 141.6372 2.1E3 162.8373 1.9E4 163.0795 2.3E3 END IONS BEGIN IONS FEATURE_ID=352 PEPMASS=84.9976 SCANS=352 RTINSECONDS=168.074 CHARGE=1- MSLEVEL=2 57.9921 5.7E5 62.3407 3.6E4 72.6412 3.6E4 85.0028 1.2E7 85.0135 7.5E4 86.1890 4.1E4 90.4734 4.0E4 96.8875 5.4E4 END IONS BEGIN IONS FEATURE_ID=353 PEPMASS=312.0930 SCANS=353 RTINSECONDS=168.253 CHARGE=1- MSLEVEL=2 50.3447 2.7E3 57.0387 2.3E3 71.5771 2.0E3 84.8560 2.4E3 93.2429 2.3E3 96.8904 3.3E3 134.0457 1.3E5 137.9835 2.3E3 184.6164 2.4E3 194.8040 2.5E3 212.8920 2.7E3 247.1619 2.3E3 266.0896 1.1E4 272.2145 2.4E3 312.1720 3.9E3 END IONS BEGIN IONS FEATURE_ID=354 PEPMASS=104.0317 SCANS=354 RTINSECONDS=168.384 CHARGE=1- MSLEVEL=2 51.5356 4.5E3 53.7182 4.6E3 56.6568 5.1E3 59.7319 4.4E3 59.7805 4.2E3 62.4768 4.6E3 74.8449 4.9E3 83.0450 4.3E3 86.0428 4.8E3 86.8045 4.5E3 99.2184 4.3E3 104.0241 7.4E3 120.9186 4.0E3 123.6996 5.1E3 END IONS BEGIN IONS FEATURE_ID=355 PEPMASS=312.0953 SCANS=355 RTINSECONDS=168.507 CHARGE=1- MSLEVEL=2 70.9196 2.2E3 96.8886 8.1E3 97.1926 2.5E3 134.0459 5.9E5 137.1924 2.5E3 141.0168 2.6E3 142.8653 2.4E3 162.0060 2.4E3 184.3883 2.3E3 246.5399 2.5E3 266.0894 4.7E4 312.0952 7.1E3 312.1718 8.1E3 END IONS BEGIN IONS FEATURE_ID=356 PEPMASS=104.0272 SCANS=356 RTINSECONDS=168.509 CHARGE=1- MSLEVEL=2 50.5613 7.9E3 61.5117 7.1E3 79.6810 8.5E3 85.5064 8.1E3 91.0663 8.6E3 92.6102 7.6E3 96.8870 1.4E4 104.0242 2.5E4 104.3041 9.0E3 122.7214 7.9E3 124.1581 8.8E3 END IONS BEGIN IONS FEATURE_ID=357 PEPMASS=103.0129 SCANS=357 RTINSECONDS=169.022 CHARGE=1- MSLEVEL=2 51.5120 2.2E3 55.1070 1.9E3 59.0081 3.0E3 59.0089 3.4E3 59.0125 1.8E5 71.9532 2.0E3 76.0050 2.5E4 96.8879 2.8E3 103.0161 5.1E4 END IONS BEGIN IONS FEATURE_ID=358 PEPMASS=293.1240 SCANS=358 RTINSECONDS=169.317 CHARGE=1- MSLEVEL=2 59.0124 4.2E4 60.4582 2.2E3 60.4876 2.3E3 71.0123 2.3E4 75.9228 2.2E3 78.6852 2.2E3 78.8072 2.2E3 85.0276 3.7E3 85.0641 1.2E4 89.0228 2.8E4 101.0228 2.7E4 113.0225 1.4E4 113.0589 5.2E3 115.0747 4.1E3 118.3895 2.6E3 118.7259 2.3E3 119.0328 1.4E4 131.0697 1.3E5 293.1245 3.5E5 END IONS BEGIN IONS FEATURE_ID=359 PEPMASS=449.1177 SCANS=359 RTINSECONDS=169.727 CHARGE=1- MSLEVEL=2 53.9303 2.6E3 55.4319 2.9E3 62.9580 1.2E4 64.7046 3.0E3 78.9517 3.3E4 80.9672 2.2E4 84.8103 2.7E3 90.0711 2.9E3 92.3131 2.3E3 96.8954 2.7E3 138.6804 3.2E3 242.9657 3.2E3 355.1452 3.0E3 385.1515 5.5E3 393.0414 2.9E3 449.1178 6.0E4 450.1215 6.5E3 452.2879 2.6E3 END IONS BEGIN IONS FEATURE_ID=360 PEPMASS=105.0209 SCANS=360 RTINSECONDS=169.969 CHARGE=1- MSLEVEL=2 50.7275 2.0E3 56.1222 2.3E3 59.2683 1.9E3 68.2954 2.4E3 78.0234 2.2E3 79.8423 2.1E3 106.2634 2.5E3 111.1384 2.0E3 111.5158 2.2E3 114.6015 1.9E3 END IONS BEGIN IONS FEATURE_ID=361 PEPMASS=310.9474 SCANS=361 RTINSECONDS=170.331 CHARGE=1- MSLEVEL=2 51.5231 2.7E3 59.1927 2.1E3 61.9090 2.3E3 69.0078 3.9E3 79.9167 2.5E3 81.5264 3.1E3 83.4984 2.5E3 83.9948 3.5E4 85.0027 1.5E5 87.9233 1.4E4 96.8908 3.9E3 101.9268 6.2E3 102.9346 5.9E3 103.9182 1.2E4 104.9264 1.3E4 105.9344 1.7E4 106.9426 3.5E3 111.6468 2.2E3 111.9352 8.2E3 113.9271 7.4E3 115.9424 6.8E4 123.9446 6.3E4 124.9428 8.6E3 126.8398 2.8E3 128.9373 1.7E4 129.9223 3.4E3 129.9454 3.0E3 131.9378 3.4E3 140.9378 9.5E3 146.9479 2.8E3 147.9574 6.1E3 148.9406 1.1E4 152.9374 2.5E3 173.9358 1.1E4 175.9521 4.1E3 183.0110 3.4E3 183.9437 1.3E4 191.9463 3.1E4 224.3689 2.8E3 241.9370 6.0E3 242.9473 8.6E3 243.9538 7.6E3 259.9475 3.4E4 266.6671 3.3E3 310.9496 8.3E3 311.1682 3.0E4 END IONS BEGIN IONS FEATURE_ID=362 PEPMASS=85.0120 SCANS=362 RTINSECONDS=170.394 CHARGE=1- MSLEVEL=2 57.9920 6.2E5 58.9276 2.9E4 60.1789 3.3E4 60.4943 2.9E4 68.0001 4.1E4 84.9921 7.5E4 85.0028 1.2E7 96.8864 3.6E4 END IONS BEGIN IONS FEATURE_ID=363 PEPMASS=85.0056 SCANS=363 RTINSECONDS=170.496 CHARGE=1- MSLEVEL=2 50.6164 3.6E4 53.2753 3.8E4 57.9920 6.0E5 60.2954 3.5E4 60.4834 4.4E4 68.0008 3.5E4 74.5066 3.7E4 76.7821 4.5E4 85.0028 1.1E7 94.2944 3.7E4 96.8861 9.1E4 96.8921 7.1E4 END IONS BEGIN IONS FEATURE_ID=364 PEPMASS=147.0281 SCANS=364 RTINSECONDS=170.505 CHARGE=1- MSLEVEL=2 61.1745 2.3E3 73.0279 1.6E4 85.0277 3.5E4 87.9237 2.4E3 92.7624 2.1E3 96.4944 2.0E3 96.8877 3.4E3 99.0073 3.0E3 102.9472 4.0E3 103.0385 6.2E3 117.0178 8.5E3 125.1099 2.7E3 129.0178 8.7E3 133.8591 2.1E3 146.9855 4.3E3 147.0285 9.8E3 END IONS BEGIN IONS FEATURE_ID=365 PEPMASS=85.0083 SCANS=365 RTINSECONDS=170.727 CHARGE=1- MSLEVEL=2 57.9921 6.1E5 68.0002 3.7E4 75.1787 3.3E4 84.9920 8.7E4 85.0028 1.2E7 91.5857 3.3E4 96.8883 4.7E4 97.8016 3.5E4 END IONS BEGIN IONS FEATURE_ID=366 PEPMASS=297.1198 SCANS=366 RTINSECONDS=170.784 CHARGE=1- MSLEVEL=2 59.0125 3.3E3 64.1715 2.7E3 71.0122 1.1E4 71.9880 2.7E3 73.0278 3.1E3 85.0282 4.3E3 87.0835 2.8E3 96.8893 9.0E3 97.2081 2.9E3 101.0228 7.7E3 104.5437 2.9E3 113.0226 4.8E3 116.0672 2.8E3 117.4939 2.5E3 161.0443 1.3E4 203.9443 3.8E3 251.1131 3.9E4 297.1205 1.6E4 297.1503 1.7E4 END IONS BEGIN IONS FEATURE_ID=367 PEPMASS=287.0898 SCANS=367 RTINSECONDS=170.892 CHARGE=1- MSLEVEL=2 51.5359 2.5E3 53.2251 2.0E3 64.7769 2.5E3 76.9691 2.1E3 77.0971 2.7E3 77.3450 2.8E3 78.1743 2.1E3 94.1582 2.2E3 96.8860 3.3E3 96.8912 3.5E3 176.5596 2.3E3 250.4444 2.2E3 END IONS BEGIN IONS FEATURE_ID=368 PEPMASS=104.0188 SCANS=368 RTINSECONDS=171.708 CHARGE=1- MSLEVEL=2 67.9025 6.7E3 72.5599 7.3E3 73.9686 6.4E3 90.9179 7.0E3 96.8888 9.9E3 104.0241 1.2E4 119.2747 7.3E3 END IONS BEGIN IONS FEATURE_ID=369 PEPMASS=84.9974 SCANS=369 RTINSECONDS=172.79 CHARGE=1- MSLEVEL=2 51.0642 3.3E4 57.9920 5.4E5 68.0002 4.1E4 69.8416 3.9E4 76.0886 3.6E4 80.0897 3.7E4 84.9920 5.8E4 85.0028 1.1E7 96.8861 4.5E4 96.8918 4.1E4 END IONS BEGIN IONS FEATURE_ID=370 PEPMASS=84.9989 SCANS=370 RTINSECONDS=172.862 CHARGE=1- MSLEVEL=2 57.9920 5.6E5 84.9921 5.9E4 85.0028 1.0E7 85.8599 3.8E4 91.5780 4.0E4 96.8878 6.2E4 101.9984 3.4E4 END IONS BEGIN IONS FEATURE_ID=371 PEPMASS=306.0573 SCANS=371 RTINSECONDS=173.72 CHARGE=1- MSLEVEL=2 51.5352 3.3E3 52.9549 2.1E3 59.5685 2.1E3 61.9870 2.4E5 96.8892 3.3E3 153.0751 2.2E3 157.9803 2.3E3 279.5565 2.8E3 END IONS BEGIN IONS FEATURE_ID=372 PEPMASS=279.0375 SCANS=372 RTINSECONDS=173.738 CHARGE=1- MSLEVEL=2 60.1435 2.4E3 83.7768 2.2E3 84.2090 2.2E3 90.8411 2.4E3 96.8901 2.7E3 110.0230 8.2E3 111.0181 1.7E4 111.0251 2.0E3 143.9908 2.2E3 152.0337 3.2E3 155.9017 2.3E3 158.7972 2.3E3 200.0559 5.0E3 243.0619 4.5E4 279.0385 9.3E3 END IONS BEGIN IONS FEATURE_ID=373 PEPMASS=104.0316 SCANS=373 RTINSECONDS=173.803 CHARGE=1- MSLEVEL=2 51.5141 1.0E4 62.4890 7.6E3 80.3536 7.3E3 89.4129 9.1E3 96.8905 1.4E4 104.0239 2.0E4 120.3583 7.3E3 END IONS BEGIN IONS FEATURE_ID=374 PEPMASS=243.0611 SCANS=374 RTINSECONDS=174.222 CHARGE=1- MSLEVEL=2 54.4130 2.4E3 66.0334 2.3E4 71.0122 3.1E3 71.7145 2.1E3 78.1523 2.8E3 82.0282 3.5E4 96.0439 3.5E3 96.8867 7.1E3 108.0437 7.9E3 110.0232 3.0E5 111.0182 2.0E4 117.0174 5.6E3 122.0228 1.7E4 124.0387 6.3E3 140.0338 4.0E4 152.0337 6.7E4 153.0290 2.4E4 200.0556 1.1E5 243.0621 8.0E4 250.0120 2.6E3 END IONS BEGIN IONS FEATURE_ID=375 PEPMASS=289.0666 SCANS=375 RTINSECONDS=174.228 CHARGE=1- MSLEVEL=2 51.1849 2.1E3 54.8288 2.2E3 54.8418 2.4E3 54.8746 2.6E3 62.1108 2.1E3 66.0337 3.2E3 82.0282 5.7E3 96.8879 3.5E3 108.0443 2.3E3 110.0231 5.3E4 111.0185 3.7E4 129.2061 2.1E3 140.0339 8.2E3 152.0339 1.1E4 153.0289 8.1E3 200.0554 3.9E4 214.1874 2.3E3 243.0619 1.7E5 274.2631 2.4E3 END IONS BEGIN IONS FEATURE_ID=376 PEPMASS=191.0177 SCANS=376 RTINSECONDS=174.416 CHARGE=1- MSLEVEL=2 57.0333 1.1E4 58.9578 2.7E3 73.2918 2.4E3 76.9793 2.2E3 85.0280 6.5E4 87.0072 1.1E5 87.9234 3.4E3 96.8869 7.4E3 96.8925 2.8E3 102.9472 4.6E4 111.0073 3.0E5 129.0175 1.3E4 146.9373 1.6E4 173.0081 7.6E3 191.0189 3.5E4 END IONS BEGIN IONS FEATURE_ID=377 PEPMASS=105.0208 SCANS=377 RTINSECONDS=174.719 CHARGE=1- MSLEVEL=2 52.1051 1.6E3 52.1164 1.6E3 52.4947 1.6E3 52.5676 1.6E3 53.9300 1.8E3 54.1567 1.8E3 54.6495 1.6E3 54.9127 1.6E3 55.4607 1.8E3 55.6875 1.6E3 55.9841 1.7E3 56.4641 1.4E3 56.6623 1.8E3 58.4188 1.6E3 58.5762 1.8E3 59.7609 1.9E3 60.6504 1.9E3 60.7791 1.5E3 61.0647 1.8E3 61.0963 1.8E3 63.3038 1.8E3 63.4403 1.4E3 65.6090 1.8E3 66.2906 1.9E3 66.4726 1.8E3 67.3585 2.3E3 68.6673 1.4E3 69.1009 2.1E3 69.8772 1.6E3 70.8674 1.6E3 71.2221 2.1E3 71.3027 1.7E3 72.3395 1.8E3 74.6388 1.7E3 75.0456 1.9E3 75.7847 1.6E3 76.5919 1.7E3 78.4629 2.0E3 83.0626 1.7E3 83.6873 1.4E3 84.3991 1.9E3 84.8277 1.6E3 86.8890 1.6E3 88.4946 1.4E3 93.2125 1.7E3 93.8409 1.5E3 94.3631 1.5E3 95.4615 1.5E3 96.8903 2.4E3 97.8152 1.8E3 98.1016 1.6E3 98.7917 1.7E3 98.8684 1.9E3 100.5345 1.6E3 101.0485 1.5E3 103.0991 1.5E3 104.5520 1.4E3 105.2982 1.7E3 107.9373 1.7E3 108.3650 1.7E3 111.6172 1.6E3 113.7810 1.6E3 114.9714 1.4E3 116.2198 1.7E3 116.7330 1.4E3 118.1513 1.5E3 118.7936 1.7E3 119.4207 1.5E3 119.9332 1.6E3 123.7550 1.8E3 END IONS BEGIN IONS FEATURE_ID=378 PEPMASS=245.0912 SCANS=378 RTINSECONDS=174.861 CHARGE=1- MSLEVEL=2 51.5293 2.8E3 58.0283 1.6E4 70.0282 1.9E4 72.0076 2.5E3 72.0438 4.1E3 74.0230 9.8E4 78.3449 2.9E3 87.5377 2.9E3 96.8873 2.4E3 98.0230 2.2E4 116.0339 3.0E4 116.0486 2.5E4 130.0646 4.5E3 142.0648 7.2E3 159.0917 8.5E3 174.4480 2.4E3 183.0912 3.0E3 201.1021 1.5E4 203.0816 1.4E5 233.2984 2.8E3 233.3237 2.3E3 245.0920 9.9E4 END IONS BEGIN IONS FEATURE_ID=379 PEPMASS=84.9939 SCANS=379 RTINSECONDS=174.906 CHARGE=1- MSLEVEL=2 51.5216 2.8E4 52.3786 3.3E4 57.9920 4.8E5 68.0002 6.1E4 85.0029 1.0E7 85.0132 6.1E4 END IONS BEGIN IONS FEATURE_ID=380 PEPMASS=579.1730 SCANS=380 RTINSECONDS=175.067 CHARGE=1- MSLEVEL=2 53.7491 2.9E3 70.0285 1.0E4 72.0442 3.8E3 74.0231 5.1E4 80.0116 3.0E3 88.3430 4.0E3 96.0160 2.7E3 96.8881 4.4E3 98.0235 1.1E4 108.9147 3.3E3 116.0337 1.8E4 116.0495 8.9E3 146.7731 2.6E3 158.0626 3.3E3 159.0921 5.0E3 194.4711 3.0E3 201.1038 7.9E3 203.0819 9.2E4 241.8644 3.2E3 245.0928 3.3E5 289.0843 8.4E3 301.6310 3.3E3 318.7191 2.9E3 335.5359 3.4E3 593.4155 3.0E3 END IONS BEGIN IONS FEATURE_ID=381 PEPMASS=579.1708 SCANS=381 RTINSECONDS=175.137 CHARGE=1- MSLEVEL=2 50.5396 2.6E3 58.0287 3.4E3 59.7966 2.9E3 69.4846 3.1E3 70.0008 2.7E3 70.0284 8.8E3 74.0232 4.0E4 90.2371 3.0E3 98.0236 3.5E3 116.0340 1.5E4 116.0490 1.0E4 201.1027 8.9E3 203.0820 7.6E4 245.0576 3.3E3 245.0627 4.8E3 245.0928 2.5E5 245.1241 5.2E3 245.1283 3.6E3 289.0821 6.9E3 305.8939 3.1E3 END IONS BEGIN IONS FEATURE_ID=382 PEPMASS=103.0127 SCANS=382 RTINSECONDS=175.21 CHARGE=1- MSLEVEL=2 52.4260 2.0E3 53.2730 2.0E3 55.8231 2.0E3 57.3294 2.0E3 59.0125 1.3E5 65.2853 1.9E3 68.5982 2.0E3 72.7307 2.0E3 76.0050 2.1E4 77.3382 2.0E3 78.9180 2.6E3 88.0057 2.1E3 96.8867 2.9E3 103.0163 4.5E4 103.0279 2.4E3 105.4990 2.1E3 END IONS BEGIN IONS FEATURE_ID=383 PEPMASS=163.0238 SCANS=383 RTINSECONDS=175.254 CHARGE=1- MSLEVEL=2 65.0131 6.1E5 65.0168 6.2E3 74.4045 2.1E3 90.2550 2.0E3 91.3478 2.0E3 96.8855 3.7E3 96.8919 4.8E3 106.2368 2.4E3 107.2920 2.2E3 118.9913 5.4E3 139.6414 2.0E3 162.8378 3.1E3 163.0049 2.2E3 END IONS BEGIN IONS FEATURE_ID=384 PEPMASS=245.0921 SCANS=384 RTINSECONDS=175.341 CHARGE=1- MSLEVEL=2 58.0284 6.9E4 70.0282 6.3E4 70.7936 2.6E3 72.0076 8.1E3 72.0438 1.6E4 72.4301 5.8E3 74.0232 4.1E5 80.5519 3.1E3 96.8865 1.7E4 96.8934 5.8E3 98.0228 7.8E4 110.0229 3.9E3 116.0336 1.2E5 116.0487 1.0E5 130.0647 1.4E4 142.0644 2.4E4 159.0914 2.9E4 169.3937 2.7E3 183.0915 9.5E3 186.0550 8.7E3 201.1024 5.1E4 203.0816 5.1E5 245.0923 3.2E5 END IONS BEGIN IONS FEATURE_ID=385 PEPMASS=104.0316 SCANS=385 RTINSECONDS=175.4 CHARGE=1- MSLEVEL=2 58.4951 5.3E3 62.8560 5.9E3 65.0392 5.9E3 66.2174 6.1E3 74.3650 5.7E3 75.2055 6.8E3 89.6073 5.3E3 93.1731 5.3E3 96.8877 6.8E3 100.4862 7.0E3 104.0241 1.6E4 109.5934 5.3E3 110.3793 6.4E3 115.1306 5.9E3 END IONS BEGIN IONS FEATURE_ID=386 PEPMASS=104.0295 SCANS=386 RTINSECONDS=175.658 CHARGE=1- MSLEVEL=2 52.1959 8.6E3 57.4882 7.6E3 58.4377 8.4E3 70.5602 9.2E3 74.4051 9.0E3 85.3916 9.6E3 96.8882 1.7E4 100.5564 9.3E3 104.0237 2.4E4 104.7094 9.8E3 109.2397 8.6E3 END IONS BEGIN IONS FEATURE_ID=387 PEPMASS=188.0255 SCANS=387 RTINSECONDS=175.929 CHARGE=1- MSLEVEL=2 62.2344 2.3E3 62.9577 2.0E3 64.0052 2.5E3 64.8913 2.1E3 65.0131 1.2E4 65.9975 2.2E3 74.2064 2.1E3 82.0365 3.3E3 82.4293 2.2E3 83.4955 2.3E3 87.9238 8.2E3 96.8900 2.8E3 99.0437 2.3E4 99.9244 2.9E3 99.9474 9.0E4 100.0467 5.9E4 115.0387 6.3E3 116.0418 1.6E4 125.0226 3.5E4 126.0260 2.0E5 129.4856 2.5E3 138.5073 2.3E3 141.0194 3.0E3 143.0339 3.6E3 143.9375 2.9E4 144.0366 2.1E4 188.0273 4.0E4 END IONS BEGIN IONS FEATURE_ID=388 PEPMASS=125.0220 SCANS=388 RTINSECONDS=175.934 CHARGE=1- MSLEVEL=2 51.5375 3.6E3 65.6332 2.3E3 67.4943 2.0E3 74.2300 2.1E3 74.5002 1.9E3 81.0330 6.6E3 81.5337 2.1E3 96.8894 6.1E3 125.0230 9.7E3 130.7579 2.1E3 138.3811 1.9E3 END IONS BEGIN IONS FEATURE_ID=389 PEPMASS=187.0245 SCANS=389 RTINSECONDS=175.949 CHARGE=1- MSLEVEL=2 67.0175 1.1E4 71.0486 1.2E4 81.0328 5.2E4 94.6942 7.3E3 96.8914 8.8E3 99.0435 9.3E5 115.0382 1.8E5 125.0229 2.7E6 125.0389 1.5E4 125.0413 1.0E4 143.0335 2.7E5 187.0236 4.1E5 END IONS BEGIN IONS FEATURE_ID=390 PEPMASS=85.0119 SCANS=390 RTINSECONDS=177.401 CHARGE=1- MSLEVEL=2 57.9921 3.7E5 68.0000 3.3E4 85.0028 7.7E6 90.1817 2.3E4 96.8888 5.8E4 END IONS BEGIN IONS FEATURE_ID=391 PEPMASS=102.0115 SCANS=391 RTINSECONDS=177.936 CHARGE=1- MSLEVEL=2 55.1007 2.8E3 60.1831 2.2E3 67.8110 2.9E3 77.6558 2.3E3 79.8274 2.2E3 96.8881 3.1E3 102.0081 2.9E4 END IONS BEGIN IONS FEATURE_ID=392 PEPMASS=104.0272 SCANS=392 RTINSECONDS=179.276 CHARGE=1- MSLEVEL=2 50.4585 7.8E3 64.0061 1.1E4 64.6727 9.7E3 65.6690 8.3E3 67.9283 9.5E3 71.3312 1.0E4 96.8879 1.5E4 102.9389 1.1E4 104.0238 2.9E4 END IONS BEGIN IONS FEATURE_ID=393 PEPMASS=310.9472 SCANS=393 RTINSECONDS=179.446 CHARGE=1- MSLEVEL=2 50.2945 2.3E3 51.5112 3.4E3 56.3301 2.5E3 61.2646 2.4E3 66.8179 2.3E3 69.0074 2.6E3 73.3769 2.9E3 83.9950 4.6E4 85.0027 2.2E5 87.3143 2.8E3 87.9235 2.3E4 91.3357 2.9E3 96.8875 1.1E4 101.9265 6.1E3 102.9346 1.4E4 103.9187 1.8E4 104.9266 1.8E4 104.9576 2.2E3 105.9343 3.2E4 106.9420 2.5E3 111.9348 1.6E4 113.9270 8.7E3 115.9422 8.8E4 123.9445 9.0E4 124.9426 7.4E3 128.9371 2.6E4 129.9221 6.2E3 129.9454 9.3E3 132.9451 5.7E3 133.3586 2.9E3 140.9381 1.1E4 146.9481 5.8E3 147.9565 7.4E3 148.9406 1.7E4 156.9324 4.8E3 167.2622 2.5E3 173.9351 1.5E4 175.9513 7.5E3 183.0130 3.6E3 183.9437 2.3E4 187.9403 4.5E3 191.9464 5.3E4 193.2664 2.3E3 241.9396 8.4E3 242.9455 1.5E4 243.9546 9.9E3 259.9478 5.9E4 299.4879 2.4E3 310.9475 1.3E4 311.1692 3.9E4 END IONS BEGIN IONS FEATURE_ID=394 PEPMASS=85.0000 SCANS=394 RTINSECONDS=179.799 CHARGE=1- MSLEVEL=2 50.9136 3.1E4 53.2182 3.1E4 57.9921 4.2E5 69.2511 2.7E4 69.4564 2.9E4 72.0209 2.8E4 84.9922 5.5E4 85.0028 8.6E6 90.5386 2.8E4 90.8054 2.9E4 96.8890 4.2E4 END IONS BEGIN IONS FEATURE_ID=395 PEPMASS=84.9951 SCANS=395 RTINSECONDS=179.931 CHARGE=1- MSLEVEL=2 53.0881 2.9E4 57.9920 4.0E5 70.2420 2.9E4 79.9040 2.6E4 83.7065 3.0E4 85.0028 8.4E6 96.8897 4.8E4 101.8916 3.2E4 103.5418 3.4E4 END IONS BEGIN IONS FEATURE_ID=396 PEPMASS=186.0385 SCANS=396 RTINSECONDS=180.608 CHARGE=1- MSLEVEL=2 52.3044 2.0E3 58.0283 1.2E4 58.8530 2.5E3 63.4449 2.3E3 81.9304 2.2E3 85.0278 4.0E3 91.5915 2.5E3 96.8912 2.5E3 97.9520 5.5E3 98.0594 2.8E4 100.0387 3.1E5 108.5009 2.3E3 113.5902 2.2E3 113.7734 2.5E3 117.1196 2.6E3 125.0223 5.4E3 141.9410 3.2E3 142.0493 9.4E4 145.8137 2.1E3 159.0577 2.2E3 174.0767 2.2E3 199.0832 2.4E3 END IONS BEGIN IONS FEATURE_ID=397 PEPMASS=100.0384 SCANS=397 RTINSECONDS=180.618 CHARGE=1- MSLEVEL=2 57.5784 1.9E3 58.2865 2.1E3 64.2607 2.2E3 66.0509 1.9E3 77.4705 1.9E3 77.5597 1.6E3 84.0233 1.9E3 87.3624 2.0E3 96.8896 5.7E3 97.6443 2.1E3 100.0028 4.6E3 100.0386 3.6E4 100.3654 1.8E3 END IONS BEGIN IONS FEATURE_ID=398 PEPMASS=142.0498 SCANS=398 RTINSECONDS=180.647 CHARGE=1- MSLEVEL=2 54.0335 5.4E3 56.3299 5.8E3 56.9865 6.5E3 58.0284 8.8E4 66.7450 6.0E3 71.0489 1.0E4 77.7870 5.6E3 87.4127 5.9E3 96.8887 1.1E4 98.0593 8.8E4 100.0389 1.1E6 142.0147 7.7E3 142.0391 1.0E4 142.0497 7.1E4 146.4218 8.1E3 156.4971 6.3E3 159.7094 6.5E3 END IONS BEGIN IONS FEATURE_ID=399 PEPMASS=373.0877 SCANS=399 RTINSECONDS=180.648 CHARGE=1- MSLEVEL=2 50.2137 2.2E3 51.5223 4.6E3 65.3040 2.7E3 69.4762 2.2E3 82.9519 2.3E3 91.1366 3.1E3 96.0813 2.1E3 96.8899 4.6E3 98.0599 9.9E3 100.0388 1.5E5 114.8246 2.7E3 140.0695 2.9E3 142.0496 2.6E5 177.5525 2.7E3 186.0397 1.2E4 369.2013 2.5E3 END IONS BEGIN IONS FEATURE_ID=400 PEPMASS=85.0084 SCANS=400 RTINSECONDS=180.67 CHARGE=1- MSLEVEL=2 50.9050 2.2E4 57.9920 3.9E5 66.9309 2.4E4 68.0001 3.0E4 74.2036 2.9E4 85.0028 8.8E6 85.0135 5.2E4 87.7320 2.5E4 96.8904 5.8E4 102.8583 2.6E4 END IONS BEGIN IONS FEATURE_ID=401 PEPMASS=143.0523 SCANS=401 RTINSECONDS=180.761 CHARGE=1- MSLEVEL=2 51.1203 1.9E3 58.0288 2.6E3 59.0317 2.6E3 91.0284 2.0E3 96.8904 2.8E3 99.0628 6.1E3 99.9470 3.1E3 100.0387 2.6E4 101.0359 3.8E3 101.0423 5.5E4 107.1379 2.2E3 116.0242 5.0E3 137.7240 2.1E3 143.0236 9.0E3 143.0354 1.4E4 143.0528 4.8E3 END IONS BEGIN IONS FEATURE_ID=402 PEPMASS=90.0077 SCANS=402 RTINSECONDS=181.184 CHARGE=1- MSLEVEL=2 69.3556 2.1E3 78.2417 2.7E3 89.9968 3.5E3 90.0082 3.7E5 96.8872 2.4E3 END IONS BEGIN IONS FEATURE_ID=403 PEPMASS=103.0133 SCANS=403 RTINSECONDS=181.322 CHARGE=1- MSLEVEL=2 54.3287 1.9E3 57.0905 1.8E3 59.0125 2.8E5 63.7000 2.2E3 64.1609 1.9E3 65.7835 2.1E3 66.2656 1.8E3 69.9416 1.9E3 76.0050 2.6E4 88.0052 3.4E3 96.8862 2.3E3 96.8916 3.1E3 99.9109 2.2E3 103.0161 7.4E4 END IONS BEGIN IONS FEATURE_ID=404 PEPMASS=84.9974 SCANS=404 RTINSECONDS=181.33 CHARGE=1- MSLEVEL=2 57.9922 6.4E5 85.0029 1.1E7 96.8895 4.0E4 104.2125 3.5E4 END IONS BEGIN IONS FEATURE_ID=405 PEPMASS=260.9100 SCANS=405 RTINSECONDS=181.631 CHARGE=1- MSLEVEL=2 84.4772 2.1E3 85.0027 6.7E4 87.0606 2.2E3 96.8881 5.3E3 120.9004 4.2E3 122.8922 1.9E4 123.9000 6.5E4 124.9087 3.4E3 132.7209 2.4E3 133.9085 5.4E4 141.9110 9.3E4 149.9032 2.4E3 152.1573 2.8E3 166.9051 3.2E3 174.8990 2.5E3 192.9104 6.5E3 193.9187 1.1E4 201.7559 2.5E3 209.9127 3.7E4 260.9135 4.3E3 END IONS BEGIN IONS FEATURE_ID=406 PEPMASS=130.0488 SCANS=406 RTINSECONDS=181.73 CHARGE=1- MSLEVEL=2 51.5238 2.2E3 57.9614 2.0E3 61.9866 1.9E3 66.6716 1.8E3 74.5159 1.9E3 77.5337 2.3E3 80.7698 1.9E3 88.0388 3.5E4 103.0285 1.0E4 120.9769 2.5E3 130.0396 5.0E4 131.8763 2.2E3 END IONS BEGIN IONS FEATURE_ID=407 PEPMASS=191.0175 SCANS=407 RTINSECONDS=181.82 CHARGE=1- MSLEVEL=2 57.0336 5.0E3 58.9577 4.3E3 61.4290 2.4E3 66.8025 2.3E3 85.0279 4.9E4 87.0072 7.0E4 87.9236 2.4E3 96.8887 2.8E3 102.9473 2.8E4 111.0072 2.0E5 117.0182 2.3E3 121.4247 2.2E3 129.0174 1.2E4 142.9928 2.2E3 146.9380 8.0E3 191.0186 2.3E4 209.6073 2.6E3 END IONS BEGIN IONS FEATURE_ID=408 PEPMASS=85.0056 SCANS=408 RTINSECONDS=181.855 CHARGE=1- MSLEVEL=2 57.9922 3.9E5 61.2953 3.3E4 68.0000 3.5E4 82.5611 3.2E4 85.0029 9.6E6 96.8900 5.5E4 END IONS BEGIN IONS FEATURE_ID=409 PEPMASS=104.0317 SCANS=409 RTINSECONDS=183.572 CHARGE=1- MSLEVEL=2 51.5181 8.8E3 57.6455 6.7E3 59.6142 6.4E3 60.5098 6.2E3 62.0292 7.0E3 68.5303 8.4E3 76.5709 6.7E3 79.2136 6.1E3 96.8881 9.6E3 104.0238 2.2E4 106.9455 7.2E3 124.6590 6.8E3 END IONS BEGIN IONS FEATURE_ID=410 PEPMASS=85.0119 SCANS=410 RTINSECONDS=183.604 CHARGE=1- MSLEVEL=2 50.2391 3.7E4 50.8693 3.9E4 53.6381 3.5E4 57.9921 6.6E5 64.0372 4.3E4 67.9999 4.8E4 69.1435 4.5E4 85.0028 1.3E7 96.8897 6.1E4 END IONS BEGIN IONS FEATURE_ID=411 PEPMASS=297.1179 SCANS=411 RTINSECONDS=184.422 CHARGE=1- MSLEVEL=2 50.3270 2.4E3 50.8898 2.6E3 51.5201 2.6E3 52.6295 2.2E3 57.1303 2.2E3 60.3411 2.1E3 61.4353 2.4E3 71.0126 2.9E3 76.2447 2.6E3 77.3070 2.3E3 96.8882 3.2E3 101.0228 3.0E3 161.0438 2.7E3 251.1149 1.1E4 297.1533 1.7E4 END IONS BEGIN IONS FEATURE_ID=412 PEPMASS=85.0084 SCANS=412 RTINSECONDS=185.186 CHARGE=1- MSLEVEL=2 57.9922 3.9E5 61.2953 3.3E4 68.0000 3.5E4 82.5611 3.2E4 85.0029 9.6E6 96.8900 5.5E4 END IONS BEGIN IONS FEATURE_ID=413 PEPMASS=104.0319 SCANS=413 RTINSECONDS=185.228 CHARGE=1- MSLEVEL=2 50.5674 7.2E3 59.8851 8.8E3 64.0417 6.7E3 73.0458 8.7E3 77.2167 8.8E3 77.3379 7.8E3 77.5526 7.6E3 88.4384 1.0E4 95.3583 7.8E3 96.8855 1.5E4 96.8915 2.1E4 104.0240 1.5E4 END IONS BEGIN IONS FEATURE_ID=414 PEPMASS=104.0294 SCANS=414 RTINSECONDS=185.687 CHARGE=1- MSLEVEL=2 50.5972 8.8E3 51.8241 8.3E3 52.2414 7.9E3 52.4695 8.8E3 53.0578 8.6E3 53.7463 7.9E3 54.0103 7.5E3 54.3650 8.6E3 55.1507 1.1E4 55.4144 1.1E4 55.7717 8.3E3 55.7790 8.6E3 55.8072 1.0E4 55.8619 8.7E3 56.8931 1.0E4 56.9897 7.9E3 57.0323 8.3E3 57.1273 8.2E3 57.1543 7.9E3 57.4249 8.4E3 57.7427 7.9E3 58.1734 9.1E3 58.2574 9.3E3 58.5225 9.3E3 60.7374 9.8E3 61.1891 9.7E3 61.4403 8.1E3 61.6813 8.0E3 62.6456 8.4E3 63.7353 8.9E3 64.0918 8.2E3 64.8555 9.2E3 65.6080 8.4E3 69.7823 9.0E3 70.5095 9.0E3 77.4806 8.4E3 77.9820 8.4E3 78.1454 7.9E3 78.1619 9.6E3 79.1485 8.8E3 80.4148 9.4E3 80.4223 9.5E3 80.6234 7.5E3 81.1454 9.6E3 82.6581 7.8E3 83.4324 8.0E3 83.8839 9.4E3 84.1054 9.0E3 84.5708 8.6E3 85.5220 8.2E3 85.6067 7.9E3 85.8219 7.3E3 87.0168 7.8E3 87.8720 7.9E3 87.9091 9.0E3 88.1367 7.8E3 88.5993 9.4E3 89.5341 9.8E3 89.6657 8.1E3 89.7629 1.0E4 90.1234 7.2E3 90.7716 9.4E3 90.7942 8.8E3 91.3461 8.6E3 92.0133 8.6E3 92.5557 9.8E3 95.1615 9.1E3 95.4038 8.3E3 96.4564 9.0E3 97.0667 7.4E3 101.4499 8.8E3 102.1676 7.6E3 104.0242 1.3E4 105.3229 8.8E3 105.6824 8.4E3 110.4739 9.6E3 112.0891 9.0E3 112.2407 9.5E3 112.4284 7.6E3 118.9353 9.3E3 123.3800 1.0E4 124.7671 9.2E3 124.7758 1.0E4 END IONS BEGIN IONS FEATURE_ID=415 PEPMASS=84.9941 SCANS=415 RTINSECONDS=186.413 CHARGE=1- MSLEVEL=2 50.2391 3.7E4 50.8693 3.9E4 53.6381 3.5E4 57.9921 6.6E5 64.0372 4.3E4 67.9999 4.8E4 69.1435 4.5E4 85.0028 1.3E7 96.8897 6.1E4 END IONS BEGIN IONS FEATURE_ID=416 PEPMASS=84.9977 SCANS=416 RTINSECONDS=187.224 CHARGE=1- MSLEVEL=2 57.9921 5.4E5 67.9999 4.1E4 70.4698 3.1E4 70.5451 3.3E4 71.1678 3.2E4 85.0028 1.0E7 92.5848 3.5E4 96.8896 6.0E4 100.1425 3.4E4 END IONS BEGIN IONS FEATURE_ID=417 PEPMASS=104.0273 SCANS=417 RTINSECONDS=187.314 CHARGE=1- MSLEVEL=2 53.5184 4.2E3 56.6772 3.7E3 59.0124 2.1E4 60.0159 4.6E4 71.9624 4.5E3 72.6691 4.2E3 72.7237 7.3E3 74.1138 4.0E3 96.8861 1.5E4 96.8925 1.4E4 104.0068 4.0E3 104.0245 6.8E3 107.0989 4.2E3 END IONS BEGIN IONS FEATURE_ID=418 PEPMASS=187.9256 SCANS=418 RTINSECONDS=187.402 CHARGE=15- MSLEVEL=2 243.4828 2.3E3 503.4354 2.2E3 1770.5806 3.2E3 1978.6241 3.2E3 END IONS BEGIN IONS FEATURE_ID=419 PEPMASS=105.0208 SCANS=419 RTINSECONDS=187.782 CHARGE=1- MSLEVEL=2 52.6680 2.2E3 59.0126 6.3E3 59.3649 1.9E3 61.0168 4.9E3 71.9881 2.3E3 75.5354 2.0E3 87.9244 2.0E3 91.6403 2.4E3 96.8875 3.3E3 97.3668 1.8E3 101.6387 2.1E3 101.7168 2.0E3 115.8828 1.9E3 END IONS BEGIN IONS FEATURE_ID=420 PEPMASS=274.0906 SCANS=420 RTINSECONDS=187.897 CHARGE=1- MSLEVEL=2 58.4000 2.1E3 70.8897 2.4E3 71.0122 1.7E4 88.0386 3.8E4 95.0494 3.0E3 97.0640 4.6E4 114.0907 5.1E3 114.6141 2.6E3 115.0019 1.7E4 132.0288 8.3E3 135.9044 2.4E3 140.0701 3.7E3 153.1471 2.3E3 158.0806 1.1E5 159.0645 4.1E4 168.1038 3.1E3 212.0925 8.2E3 230.1028 1.3E4 256.0815 3.3E3 274.0923 7.3E4 END IONS BEGIN IONS FEATURE_ID=421 PEPMASS=85.0059 SCANS=421 RTINSECONDS=188.246 CHARGE=1- MSLEVEL=2 50.1260 4.8E4 57.9921 5.9E5 85.0028 1.2E7 87.1916 5.5E4 92.5300 4.0E4 96.8912 5.9E4 END IONS BEGIN IONS FEATURE_ID=422 PEPMASS=174.0380 SCANS=422 RTINSECONDS=188.308 CHARGE=1- MSLEVEL=2 52.8361 2.0E3 59.0124 4.6E3 65.6015 2.1E3 84.0436 4.4E3 86.0594 4.4E4 88.8605 2.1E3 96.8895 4.1E3 99.9238 2.5E3 102.0543 6.5E3 107.5484 2.5E3 112.0388 3.8E4 115.6973 2.2E3 128.0336 1.8E5 130.0492 7.6E4 146.0450 6.8E3 156.0284 3.2E4 174.0397 3.6E4 END IONS BEGIN IONS FEATURE_ID=423 PEPMASS=104.0329 SCANS=423 RTINSECONDS=188.476 CHARGE=1- MSLEVEL=2 59.4948 8.5E3 65.7236 9.4E3 67.1318 9.0E3 78.6947 9.0E3 86.1441 8.9E3 87.6567 8.4E3 96.8908 1.5E4 104.0236 2.0E4 107.6493 9.5E3 115.1450 9.4E3 117.9303 8.9E3 END IONS BEGIN IONS FEATURE_ID=424 PEPMASS=84.9959 SCANS=424 RTINSECONDS=189.503 CHARGE=1- MSLEVEL=2 51.6847 3.3E4 53.4267 3.3E4 57.8880 3.6E4 57.9920 5.9E5 63.7029 3.6E4 82.3319 3.4E4 85.0028 1.2E7 96.8891 6.6E4 END IONS BEGIN IONS FEATURE_ID=425 PEPMASS=102.0118 SCANS=425 RTINSECONDS=190.08 CHARGE=1- MSLEVEL=2 54.9119 2.0E3 57.9918 2.1E3 59.6929 2.0E3 87.3901 2.1E3 87.6614 1.8E3 102.0083 3.0E4 117.5148 2.2E3 END IONS BEGIN IONS FEATURE_ID=426 PEPMASS=87.0067 SCANS=426 RTINSECONDS=190.573 CHARGE=1- MSLEVEL=2 51.5858 1.8E3 59.0127 2.6E3 59.6601 1.8E3 59.9964 4.0E3 82.0507 2.0E3 87.0070 9.4E4 96.8918 2.5E3 END IONS BEGIN IONS FEATURE_ID=427 PEPMASS=104.0284 SCANS=427 RTINSECONDS=191.23 CHARGE=1- MSLEVEL=2 51.5140 6.4E3 54.4610 5.9E3 55.2597 5.5E3 60.0158 6.5E3 63.5588 5.7E3 74.8322 5.2E3 81.7949 5.8E3 96.8903 1.0E4 100.4858 6.2E3 104.0238 2.1E4 END IONS BEGIN IONS FEATURE_ID=428 PEPMASS=310.9465 SCANS=428 RTINSECONDS=191.314 CHARGE=1- MSLEVEL=2 83.9947 3.5E4 84.7829 2.3E3 85.0026 1.2E5 87.9237 9.0E3 102.9349 6.1E3 103.9187 1.0E4 104.9265 1.1E4 105.9343 1.1E4 111.9353 7.0E3 113.9270 8.5E3 115.9422 6.1E4 118.0017 2.2E3 123.9447 5.6E4 124.9428 7.5E3 128.9370 1.5E4 129.9218 4.2E3 131.9373 4.0E3 132.9451 3.2E3 140.9379 7.1E3 147.9565 7.1E3 148.9404 7.6E3 156.9323 3.1E3 173.9362 9.0E3 175.9505 4.0E3 183.9437 1.4E4 191.9465 3.8E4 214.7785 2.6E3 241.9406 3.8E3 242.9447 8.9E3 243.9532 5.8E3 259.9477 4.2E4 310.9489 1.0E4 311.1693 4.3E4 END IONS BEGIN IONS FEATURE_ID=429 PEPMASS=351.1267 SCANS=429 RTINSECONDS=191.75 CHARGE=1- MSLEVEL=2 51.9952 2.3E3 59.0124 8.0E3 71.0123 6.2E3 75.0072 6.2E3 85.0278 1.1E4 87.0072 3.3E3 95.0119 3.0E3 96.8861 3.6E3 99.0069 9.4E3 101.0591 8.0E4 113.0226 2.2E4 127.7142 2.4E3 133.8475 2.3E3 157.5840 2.4E3 175.0234 3.1E3 206.2284 2.3E3 219.5900 2.7E3 231.0517 4.5E3 249.0612 2.4E4 333.1181 3.0E3 345.8796 2.7E3 351.1299 1.5E5 END IONS BEGIN IONS FEATURE_ID=430 PEPMASS=104.0294 SCANS=430 RTINSECONDS=191.935 CHARGE=1- MSLEVEL=2 56.4316 6.0E3 59.0126 3.1E4 60.0157 5.7E4 69.5429 5.7E3 85.5998 6.0E3 89.1628 7.1E3 96.8891 1.3E4 97.4396 5.4E3 102.9801 5.4E3 104.0242 1.4E4 117.2721 5.5E3 END IONS BEGIN IONS FEATURE_ID=431 PEPMASS=105.0208 SCANS=431 RTINSECONDS=192.421 CHARGE=1- MSLEVEL=2 50.0023 1.6E3 50.3707 1.5E3 50.4287 1.5E3 50.4553 1.9E3 50.8007 1.8E3 51.2379 1.7E3 51.5183 1.7E3 51.7387 1.5E3 51.8636 1.5E3 52.1012 1.4E3 53.3383 1.4E3 53.8841 1.7E3 55.9786 1.5E3 57.4389 1.5E3 57.9402 1.5E3 58.6249 1.9E3 59.5172 1.6E3 60.1730 1.7E3 60.4755 1.6E3 61.3747 1.5E3 62.1590 1.4E3 63.0391 2.0E3 63.6900 1.6E3 64.1786 1.8E3 64.7211 1.4E3 64.8625 1.6E3 65.9004 1.4E3 66.1732 1.4E3 66.2421 1.5E3 66.4867 1.5E3 67.8186 1.7E3 68.9090 1.7E3 69.4484 1.8E3 71.1240 1.7E3 71.2258 1.5E3 74.1917 1.6E3 74.9940 1.5E3 75.5724 1.6E3 76.0684 1.6E3 78.0928 1.9E3 79.1244 2.3E3 79.3183 1.6E3 80.3469 1.7E3 82.2141 1.8E3 82.5392 1.5E3 82.8536 1.5E3 84.6883 2.0E3 85.2236 1.6E3 85.4245 1.7E3 86.0090 2.0E3 86.6390 1.5E3 87.0711 1.8E3 87.2018 1.6E3 89.8976 1.6E3 90.7665 1.9E3 93.3259 1.6E3 95.1084 2.0E3 95.3962 1.5E3 95.6186 1.4E3 96.8866 1.8E3 97.5690 1.9E3 100.1303 1.6E3 101.6006 1.7E3 102.0453 1.4E3 104.8440 2.3E3 105.4404 1.6E3 108.8660 1.4E3 112.3604 1.6E3 114.4432 1.8E3 116.7140 2.0E3 121.8738 1.7E3 123.8445 2.0E3 124.7609 2.0E3 END IONS BEGIN IONS FEATURE_ID=432 PEPMASS=103.0135 SCANS=432 RTINSECONDS=192.853 CHARGE=1- MSLEVEL=2 56.8731 3.7E3 59.0065 1.0E4 59.0126 1.8E6 60.0797 3.6E3 60.7822 3.4E3 76.0051 2.9E4 77.0782 5.4E3 94.0606 3.5E3 94.8559 3.8E3 96.8903 4.8E3 103.0020 6.7E4 103.0161 5.2E4 114.0248 3.7E3 END IONS BEGIN IONS FEATURE_ID=433 PEPMASS=85.0119 SCANS=433 RTINSECONDS=193.058 CHARGE=1- MSLEVEL=2 57.9920 4.7E5 85.0028 7.9E6 85.0134 4.2E4 85.9032 2.3E4 96.8894 4.7E4 END IONS BEGIN IONS FEATURE_ID=434 PEPMASS=175.0589 SCANS=434 RTINSECONDS=193.343 CHARGE=1- MSLEVEL=2 51.8780 2.1E3 55.1691 2.0E3 57.1416 2.2E3 65.5774 2.2E3 73.0279 1.2E5 90.9990 2.5E3 95.0485 4.6E4 96.8891 2.8E3 111.0436 1.2E4 113.0589 1.2E4 129.0542 1.8E4 131.0708 2.7E3 157.0493 1.4E4 175.0278 2.8E3 175.0599 5.9E5 END IONS BEGIN IONS FEATURE_ID=435 PEPMASS=84.9941 SCANS=435 RTINSECONDS=193.359 CHARGE=1- MSLEVEL=2 52.8789 3.7E4 57.2927 3.8E4 57.9919 6.2E5 58.4047 3.4E4 58.7730 3.7E4 65.1863 3.3E4 68.0002 4.4E4 72.6326 3.7E4 74.8732 3.9E4 82.8177 4.0E4 84.9921 7.8E4 85.0027 1.3E7 END IONS BEGIN IONS FEATURE_ID=436 PEPMASS=104.0200 SCANS=436 RTINSECONDS=193.673 CHARGE=1- MSLEVEL=2 53.6477 6.4E3 60.0157 8.5E3 90.6208 7.8E3 96.8910 1.2E4 104.0240 2.2E4 109.1842 7.6E3 115.8504 7.5E3 END IONS BEGIN IONS FEATURE_ID=437 PEPMASS=84.9975 SCANS=437 RTINSECONDS=194.051 CHARGE=1- MSLEVEL=2 57.9921 6.5E5 85.0027 1.2E7 85.8892 4.3E4 88.0998 4.5E4 96.8908 8.4E4 END IONS BEGIN IONS FEATURE_ID=438 PEPMASS=85.0061 SCANS=438 RTINSECONDS=194.332 CHARGE=1- MSLEVEL=2 50.7635 3.1E4 51.4107 3.5E4 57.9921 6.4E5 68.0546 3.7E4 85.0029 1.3E7 85.0135 7.5E4 END IONS BEGIN IONS FEATURE_ID=439 PEPMASS=191.0175 SCANS=439 RTINSECONDS=194.626 CHARGE=1- MSLEVEL=2 54.9391 2.3E3 57.0334 1.0E4 67.0172 2.1E3 73.7463 2.4E3 74.0460 2.1E3 85.0279 6.0E4 87.0072 9.9E4 87.9237 3.8E3 96.8889 2.5E3 102.9471 5.1E4 111.0072 2.9E5 119.9196 2.0E3 129.0175 1.4E4 146.9375 1.3E4 170.9845 2.9E3 173.0083 4.2E3 191.0187 3.1E4 191.0328 2.5E3 END IONS BEGIN IONS FEATURE_ID=440 PEPMASS=85.0085 SCANS=440 RTINSECONDS=194.68 CHARGE=1- MSLEVEL=2 57.9920 4.4E5 68.0003 4.6E4 68.0907 3.1E4 74.0341 3.6E4 78.0106 3.2E4 85.0028 1.0E7 85.0133 6.0E4 94.3500 2.9E4 95.4989 2.9E4 96.8857 4.3E4 96.8908 4.5E4 END IONS BEGIN IONS FEATURE_ID=441 PEPMASS=173.0427 SCANS=441 RTINSECONDS=195.123 CHARGE=1- MSLEVEL=2 57.0334 2.4E3 57.3004 2.3E3 59.0123 3.0E3 65.0380 2.6E3 66.8823 2.1E3 69.0327 3.2E3 70.8906 2.2E3 71.0122 9.6E3 73.0279 7.7E4 81.0331 5.3E3 83.0487 2.9E4 85.0280 1.9E4 93.0329 1.3E5 96.8881 3.9E3 99.0070 2.2E4 99.0433 2.3E4 101.0231 3.4E3 111.0072 5.5E3 111.0436 6.7E4 112.0574 2.1E3 113.0228 2.5E3 129.0183 8.7E3 137.0230 4.8E4 143.0341 9.1E3 146.0354 2.3E3 155.0340 1.7E4 173.0443 2.4E4 178.3513 2.2E3 193.4821 2.4E3 END IONS BEGIN IONS FEATURE_ID=442 PEPMASS=104.0317 SCANS=442 RTINSECONDS=195.182 CHARGE=1- MSLEVEL=2 51.4238 7.5E3 53.5105 8.6E3 59.0124 9.6E3 60.0158 2.2E4 65.8189 7.7E3 73.5823 7.2E3 96.8890 1.0E4 104.0239 1.3E4 END IONS BEGIN IONS FEATURE_ID=443 PEPMASS=267.0709 SCANS=443 RTINSECONDS=196.003 CHARGE=1- MSLEVEL=2 66.7770 2.3E3 108.0189 1.1E4 151.0246 4.0E5 177.0407 1.2E4 247.6156 2.6E3 267.0726 1.5E5 267.1125 3.0E3 END IONS BEGIN IONS FEATURE_ID=444 PEPMASS=104.0328 SCANS=444 RTINSECONDS=196.433 CHARGE=1- MSLEVEL=2 53.6477 6.4E3 60.0157 8.5E3 90.6208 7.8E3 96.8910 1.2E4 104.0240 2.2E4 109.1842 7.6E3 115.8504 7.5E3 END IONS BEGIN IONS FEATURE_ID=445 PEPMASS=84.9958 SCANS=445 RTINSECONDS=196.509 CHARGE=1- MSLEVEL=2 57.9921 6.5E5 85.0027 1.2E7 85.8892 4.3E4 88.0998 4.5E4 96.8908 8.4E4 END IONS BEGIN IONS FEATURE_ID=446 PEPMASS=104.0274 SCANS=446 RTINSECONDS=197.657 CHARGE=1- MSLEVEL=2 50.3928 5.2E3 50.9915 4.4E3 51.0567 4.6E3 51.4668 4.9E3 51.8417 5.5E3 53.0560 4.8E3 54.8816 4.8E3 55.0980 4.8E3 56.8231 4.7E3 59.0588 5.8E3 60.0157 5.5E3 60.1271 5.9E3 61.2078 5.3E3 61.2429 5.5E3 62.1446 4.5E3 62.1664 4.7E3 63.4951 4.6E3 65.8274 5.0E3 65.9663 4.1E3 66.7667 4.5E3 67.8757 4.9E3 68.8212 5.6E3 69.2115 4.9E3 69.6235 4.5E3 72.6542 4.9E3 74.9180 5.2E3 77.5505 4.9E3 78.3395 4.6E3 78.4718 4.9E3 78.5901 4.5E3 79.6002 4.1E3 80.0544 4.7E3 80.3233 4.7E3 82.1821 4.6E3 83.5621 4.1E3 84.3642 5.8E3 85.4680 4.5E3 85.6313 5.4E3 85.7671 4.1E3 85.9330 4.3E3 87.2758 5.0E3 87.8938 4.4E3 87.9517 4.3E3 88.5402 4.7E3 89.5640 5.3E3 91.0751 4.5E3 92.1067 4.5E3 92.5846 4.3E3 95.6915 5.1E3 96.8919 5.1E3 98.6714 5.3E3 99.1618 5.3E3 99.4296 5.0E3 99.6042 5.3E3 99.8857 4.7E3 104.0241 1.8E4 105.5384 5.0E3 105.5825 4.6E3 108.5490 5.0E3 108.5993 4.4E3 112.8344 5.3E3 117.5074 4.6E3 117.8631 4.4E3 118.6939 4.8E3 119.0019 5.0E3 119.9263 5.7E3 121.1627 5.5E3 124.1459 5.6E3 124.8143 5.6E3 END IONS BEGIN IONS FEATURE_ID=447 PEPMASS=85.0118 SCANS=447 RTINSECONDS=197.803 CHARGE=1- MSLEVEL=2 51.5968 3.5E4 57.9922 5.2E5 68.0001 3.7E4 85.0029 1.1E7 85.0135 6.4E4 END IONS BEGIN IONS FEATURE_ID=448 PEPMASS=84.9945 SCANS=448 RTINSECONDS=198.649 CHARGE=1- MSLEVEL=2 51.5762 3.6E4 55.6088 3.4E4 57.9922 5.9E5 61.2768 3.6E4 68.0002 3.9E4 85.0029 1.1E7 96.8863 3.5E4 END IONS BEGIN IONS FEATURE_ID=449 PEPMASS=85.0059 SCANS=449 RTINSECONDS=198.664 CHARGE=1- MSLEVEL=2 57.9921 5.4E5 58.4669 3.4E4 68.0001 5.4E4 84.9924 6.1E4 85.0028 1.2E7 END IONS BEGIN IONS FEATURE_ID=450 PEPMASS=103.0100 SCANS=450 RTINSECONDS=199.321 CHARGE=1- MSLEVEL=2 51.5507 3.0E3 59.0065 1.1E4 59.0127 1.5E6 70.9872 2.5E3 76.0049 2.1E4 77.0780 4.6E3 96.8867 3.6E3 103.0022 6.0E4 103.0158 3.9E4 END IONS BEGIN IONS FEATURE_ID=451 PEPMASS=104.0294 SCANS=451 RTINSECONDS=199.361 CHARGE=1- MSLEVEL=2 59.0124 7.9E3 60.0156 2.3E4 60.4928 5.6E3 65.4471 4.8E3 69.3324 5.0E3 77.9179 4.6E3 81.5259 4.9E3 96.8885 9.4E3 104.0239 1.0E4 112.7663 5.3E3 END IONS BEGIN IONS FEATURE_ID=452 PEPMASS=103.0149 SCANS=452 RTINSECONDS=199.978 CHARGE=1- MSLEVEL=2 55.4326 2.4E3 59.0123 1.2E5 76.0050 2.1E4 92.1110 1.9E3 96.8907 2.5E3 97.1610 2.0E3 103.0162 5.3E4 103.0277 2.7E3 END IONS BEGIN IONS FEATURE_ID=453 PEPMASS=103.0058 SCANS=453 RTINSECONDS=200.601 CHARGE=1- MSLEVEL=2 51.5507 3.0E3 59.0065 1.1E4 59.0127 1.5E6 70.9872 2.5E3 76.0049 2.1E4 77.0780 4.6E3 96.8867 3.6E3 103.0022 6.0E4 103.0158 3.9E4 END IONS BEGIN IONS FEATURE_ID=454 PEPMASS=433.1116 SCANS=454 RTINSECONDS=201.068 CHARGE=1- MSLEVEL=2 59.0123 5.2E3 66.8079 2.7E3 67.3289 2.6E3 71.0119 2.9E3 72.7663 3.1E3 96.8870 3.1E3 109.0281 1.5E4 110.0166 2.8E3 117.0330 3.0E3 121.0278 3.2E3 123.0073 9.5E3 133.0276 3.4E3 135.0071 9.7E3 137.0233 2.1E4 149.0229 3.6E3 153.0180 6.2E3 163.0018 1.3E4 164.0102 5.5E3 165.0174 3.0E4 167.0341 8.1E3 179.0343 4.1E3 191.0345 8.9E3 197.0598 4.5E3 225.0558 4.9E3 243.0654 3.9E4 248.2603 2.4E3 253.0497 3.5E5 256.7715 2.8E3 270.6236 2.5E3 271.0604 2.4E4 327.0727 2.4E4 336.2055 3.2E3 433.1143 4.1E5 END IONS BEGIN IONS FEATURE_ID=455 PEPMASS=537.1217 SCANS=455 RTINSECONDS=201.208 CHARGE=1- MSLEVEL=2 56.0810 2.7E3 56.3114 2.8E3 59.0123 2.1E4 69.2636 2.6E3 96.8862 3.3E3 96.8918 3.0E3 103.0020 5.7E4 115.9361 2.6E3 133.6537 2.8E3 190.5740 2.6E3 253.0497 2.1E4 271.0589 4.9E3 327.0712 4.5E3 391.5549 3.1E3 433.1144 8.5E4 552.6370 3.2E3 563.0912 4.1E3 END IONS BEGIN IONS FEATURE_ID=456 PEPMASS=103.0026 SCANS=456 RTINSECONDS=201.372 CHARGE=1- MSLEVEL=2 54.4259 8.0E3 54.9085 7.6E3 59.0065 2.1E4 59.0126 3.4E6 60.6197 8.3E3 65.9683 8.0E3 70.9735 7.3E3 76.0053 2.7E4 83.7938 8.0E3 91.3952 7.9E3 96.8904 2.1E4 103.0022 1.5E5 103.0156 4.6E4 122.3179 8.0E3 END IONS BEGIN IONS FEATURE_ID=457 PEPMASS=104.0315 SCANS=457 RTINSECONDS=201.852 CHARGE=1- MSLEVEL=2 56.7923 6.2E3 56.8166 8.5E3 58.7085 6.8E3 59.0125 1.3E4 60.0156 4.2E4 73.5512 7.7E3 78.9213 7.4E3 82.6152 7.0E3 89.3318 7.4E3 104.0241 1.4E4 END IONS BEGIN IONS FEATURE_ID=458 PEPMASS=84.9975 SCANS=458 RTINSECONDS=202.104 CHARGE=1- MSLEVEL=2 57.9920 5.9E5 68.0001 3.6E4 69.7144 4.0E4 77.3047 3.6E4 84.9921 6.0E4 85.0028 1.0E7 90.0676 3.1E4 96.8913 3.9E4 END IONS BEGIN IONS FEATURE_ID=459 PEPMASS=205.0339 SCANS=459 RTINSECONDS=203.071 CHARGE=1- MSLEVEL=2 53.5269 2.1E3 62.2434 2.1E3 68.6022 2.3E3 71.0488 3.2E3 72.3226 2.1E3 80.0017 2.1E3 85.3439 2.2E3 87.0072 2.9E3 96.6778 2.9E3 99.0435 2.8E4 101.0229 2.7E4 111.0077 3.8E3 115.0384 1.3E4 116.2346 2.0E3 125.0227 8.4E4 130.9075 2.4E3 143.0331 1.4E4 143.0689 2.6E3 145.0126 4.6E4 187.0235 2.7E4 205.0350 4.0E4 205.0713 2.6E3 END IONS BEGIN IONS FEATURE_ID=460 PEPMASS=191.0179 SCANS=460 RTINSECONDS=203.073 CHARGE=1- MSLEVEL=2 57.0332 1.5E4 58.9574 2.7E3 65.1434 2.1E3 67.0173 3.2E3 73.0275 2.3E3 78.2587 2.4E3 80.2210 2.8E3 85.0279 1.2E5 85.0339 4.4E3 86.6758 2.1E3 87.0072 1.7E5 87.0139 4.6E3 87.0147 3.0E3 96.8912 2.3E3 98.6001 2.1E3 102.9472 3.2E4 111.0072 5.4E5 129.0175 3.1E4 129.2577 2.4E3 140.5104 2.6E3 141.2735 2.1E3 146.9379 6.9E3 147.0286 3.6E3 154.9975 5.2E3 160.4418 2.3E3 173.0088 7.8E3 191.0190 6.2E4 END IONS BEGIN IONS FEATURE_ID=461 PEPMASS=142.0490 SCANS=461 RTINSECONDS=203.152 CHARGE=1- MSLEVEL=2 51.5359 2.4E3 53.7984 2.2E3 58.0285 3.6E3 58.1207 2.1E3 64.6004 1.9E3 96.8877 3.9E3 98.0594 5.4E3 100.0387 7.0E4 115.0120 2.7E3 141.8943 2.6E3 142.0233 2.6E3 142.0391 1.3E4 142.0502 4.0E3 END IONS BEGIN IONS FEATURE_ID=462 PEPMASS=351.1289 SCANS=462 RTINSECONDS=203.159 CHARGE=1- MSLEVEL=2 51.5351 2.5E3 53.4894 2.4E3 59.9070 2.3E3 73.0276 2.5E4 90.8942 2.8E3 90.9895 2.4E3 93.0324 4.6E3 95.0485 1.1E4 96.8904 5.4E3 111.0433 1.0E4 113.0589 5.6E3 121.0275 7.6E3 135.6687 2.6E3 149.2529 2.6E3 155.0332 6.3E3 157.0491 5.5E3 173.0437 2.6E4 175.0281 3.3E3 175.0597 6.6E5 225.3677 2.6E3 234.6013 2.8E3 289.2776 2.6E3 306.4697 2.8E3 351.1286 7.2E3 END IONS BEGIN IONS FEATURE_ID=463 PEPMASS=175.0607 SCANS=463 RTINSECONDS=203.177 CHARGE=1- MSLEVEL=2 57.0332 2.5E4 58.0043 1.6E4 71.0122 2.8E4 73.0279 1.1E6 73.0332 3.7E4 83.0482 2.0E4 85.0276 5.8E4 93.0327 3.2E5 95.0483 4.5E5 96.8909 1.8E4 104.5609 1.6E4 110.6641 1.6E4 111.0431 3.4E5 113.0591 1.9E5 120.7761 1.6E4 121.0275 3.6E5 129.0539 6.6E4 137.0223 2.3E4 139.0386 2.4E4 141.8504 1.6E4 155.0331 1.7E5 157.0493 1.8E5 166.3795 1.8E4 173.0435 6.3E5 175.0597 4.4E6 175.0864 3.5E4 175.0903 2.5E4 193.2808 2.0E4 END IONS BEGIN IONS FEATURE_ID=464 PEPMASS=132.8652 SCANS=464 RTINSECONDS=203.181 CHARGE=1- MSLEVEL=2 51.5362 2.5E3 58.8998 2.1E3 71.0122 2.5E4 72.9913 3.6E3 76.3732 2.1E3 96.8863 3.1E3 115.0019 3.9E4 132.8662 2.4E5 133.0129 1.0E4 END IONS BEGIN IONS FEATURE_ID=465 PEPMASS=176.0622 SCANS=465 RTINSECONDS=203.19 CHARGE=1- MSLEVEL=2 51.5286 2.4E3 51.7821 2.1E3 54.3271 2.1E3 56.7489 1.9E3 58.0046 3.2E3 66.2272 2.0E3 73.0280 5.9E4 74.0312 3.8E4 86.0312 4.4E3 93.0325 2.1E3 94.0362 2.4E4 95.0485 8.0E3 96.0519 3.5E4 96.8903 2.5E3 109.3794 2.3E3 111.0434 6.1E3 112.0467 3.0E4 114.0629 1.4E4 122.0310 3.5E4 156.0371 1.9E4 158.0521 1.2E4 174.0474 5.3E4 176.0634 3.7E5 END IONS BEGIN IONS FEATURE_ID=466 PEPMASS=191.0186 SCANS=466 RTINSECONDS=203.196 CHARGE=1- MSLEVEL=2 57.0332 9.4E3 57.4505 2.1E3 58.9578 2.9E3 78.2291 2.2E3 85.0278 6.8E4 87.0072 1.1E5 96.8884 3.1E3 101.0236 2.5E3 102.9475 3.5E4 108.3318 2.3E3 111.0072 3.2E5 129.0172 2.0E4 139.9394 2.4E3 141.5176 2.1E3 146.9372 9.9E3 173.0085 4.8E3 191.0190 3.9E4 END IONS BEGIN IONS FEATURE_ID=467 PEPMASS=221.0657 SCANS=467 RTINSECONDS=203.206 CHARGE=1- MSLEVEL=2 60.3566 2.1E3 73.0278 4.1E3 78.8026 2.4E3 80.6532 2.5E3 82.5436 2.3E3 95.3223 2.6E3 96.5224 2.4E3 96.8892 2.8E3 102.1344 2.3E3 173.0441 2.5E3 175.0598 8.2E4 213.5550 2.0E3 END IONS BEGIN IONS FEATURE_ID=468 PEPMASS=133.0119 SCANS=468 RTINSECONDS=203.238 CHARGE=1- MSLEVEL=2 71.0122 4.5E4 72.9915 1.1E4 81.9557 2.0E3 86.5548 2.5E3 89.0225 6.8E3 96.8888 3.8E3 98.0225 2.1E3 108.6530 2.0E3 115.0020 8.8E4 116.2655 2.1E3 132.8515 2.5E3 132.8663 2.0E5 133.0126 1.9E4 141.8627 2.1E3 146.4742 2.4E3 147.0084 2.0E3 END IONS BEGIN IONS FEATURE_ID=469 PEPMASS=134.8630 SCANS=469 RTINSECONDS=203.286 CHARGE=1- MSLEVEL=2 51.5406 2.4E3 53.7488 1.9E3 75.0332 2.3E3 77.8579 2.1E3 96.8870 2.4E3 100.4274 1.8E3 122.8561 2.3E3 134.8638 2.7E5 146.8338 2.2E3 END IONS BEGIN IONS FEATURE_ID=470 PEPMASS=104.0053 SCANS=470 RTINSECONDS=203.503 CHARGE=1- MSLEVEL=2 51.5360 6.7E3 59.0126 1.7E4 60.0158 3.8E4 60.4827 4.5E3 64.9111 4.7E3 72.5466 1.1E4 79.0229 4.9E3 96.8847 1.0E4 96.8915 2.9E4 104.0240 1.8E4 108.2149 4.7E3 END IONS BEGIN IONS FEATURE_ID=471 PEPMASS=103.0056 SCANS=471 RTINSECONDS=203.681 CHARGE=1- MSLEVEL=2 54.6993 9.7E3 59.0127 3.3E6 63.0257 7.7E3 76.0053 3.5E4 77.0783 8.8E3 96.8889 1.5E4 102.4986 8.8E3 103.0022 1.5E5 103.0163 5.3E4 109.9532 9.2E3 END IONS BEGIN IONS FEATURE_ID=472 PEPMASS=85.0119 SCANS=472 RTINSECONDS=203.735 CHARGE=1- MSLEVEL=2 57.9921 5.0E5 68.0002 3.9E4 69.7983 3.6E4 72.7776 5.6E4 85.0028 9.6E6 96.8845 5.4E4 96.8904 1.7E5 96.8976 3.5E4 99.5792 3.2E4 END IONS BEGIN IONS FEATURE_ID=473 PEPMASS=103.0025 SCANS=473 RTINSECONDS=203.736 CHARGE=1- MSLEVEL=2 58.9971 6.0E3 59.0127 3.9E6 59.0189 2.3E4 68.5486 7.2E3 74.6168 7.7E3 76.0052 3.6E4 77.0779 8.7E3 96.8872 8.2E3 103.0022 1.6E5 103.0160 5.6E4 118.0230 7.7E3 END IONS BEGIN IONS FEATURE_ID=474 PEPMASS=251.0940 SCANS=474 RTINSECONDS=203.998 CHARGE=1- MSLEVEL=2 65.2864 2.7E3 71.9483 3.0E3 79.2977 2.4E3 79.9556 3.9E4 80.9637 6.5E4 120.8302 2.3E3 163.7966 2.3E3 183.9271 2.3E3 194.0545 2.6E3 207.1054 2.6E4 233.0836 1.9E4 251.0586 3.1E3 251.0953 2.8E5 END IONS BEGIN IONS FEATURE_ID=475 PEPMASS=310.9462 SCANS=475 RTINSECONDS=204.376 CHARGE=1- MSLEVEL=2 63.5590 2.2E3 83.9947 1.8E4 84.6486 2.6E3 85.0026 7.0E4 87.9237 3.8E3 96.8896 4.7E3 101.9264 2.9E3 102.9347 4.2E3 103.9185 6.1E3 104.9263 9.0E3 105.9340 1.1E4 111.9347 5.1E3 113.9273 3.3E3 114.0277 2.5E3 115.9422 4.1E4 119.3729 2.4E3 123.9446 3.1E4 128.9377 1.3E4 140.9381 4.7E3 144.6157 2.5E3 147.9565 2.9E3 148.9395 5.2E3 152.9372 2.8E3 173.9357 8.4E3 183.9440 1.1E4 187.9387 2.9E3 191.9461 3.1E4 209.9204 2.3E3 242.9449 9.6E3 243.9546 5.4E3 259.9482 2.7E4 310.9493 8.0E3 311.1684 3.3E4 END IONS BEGIN IONS FEATURE_ID=476 PEPMASS=103.0118 SCANS=476 RTINSECONDS=204.972 CHARGE=1- MSLEVEL=2 59.0066 9.4E3 59.0127 1.8E6 67.6576 4.4E3 76.0053 2.9E4 77.0778 5.9E3 103.0022 7.0E4 103.0161 5.5E4 END IONS BEGIN IONS FEATURE_ID=477 PEPMASS=85.0000 SCANS=477 RTINSECONDS=205.849 CHARGE=1- MSLEVEL=2 57.9920 4.7E5 60.5626 2.4E4 82.8316 2.5E4 85.0028 9.2E6 92.1897 2.6E4 END IONS BEGIN IONS FEATURE_ID=478 PEPMASS=104.0294 SCANS=478 RTINSECONDS=205.959 CHARGE=1- MSLEVEL=2 56.7525 5.9E3 59.0125 2.1E4 60.0155 4.4E4 69.9244 6.3E3 71.1076 7.1E3 88.2050 6.8E3 88.6659 8.3E3 96.4862 7.7E3 104.0238 2.7E4 END IONS BEGIN IONS FEATURE_ID=479 PEPMASS=84.9957 SCANS=479 RTINSECONDS=206.154 CHARGE=1- MSLEVEL=2 57.9921 5.4E5 64.3430 3.6E4 68.0000 5.3E4 85.0028 1.2E7 85.0133 6.1E4 96.8900 5.2E4 END IONS BEGIN IONS FEATURE_ID=480 PEPMASS=103.0082 SCANS=480 RTINSECONDS=206.572 CHARGE=1- MSLEVEL=2 54.6993 9.7E3 59.0127 3.3E6 63.0257 7.7E3 76.0053 3.5E4 77.0783 8.8E3 96.8889 1.5E4 102.4986 8.8E3 103.0022 1.5E5 103.0163 5.3E4 109.9532 9.2E3 END IONS BEGIN IONS FEATURE_ID=481 PEPMASS=295.0290 SCANS=481 RTINSECONDS=207.239 CHARGE=1- MSLEVEL=2 59.0123 5.3E4 80.5727 2.5E3 90.1436 2.1E3 96.8890 4.0E3 103.0020 1.7E5 108.0549 2.2E3 182.4902 2.4E3 285.5255 2.6E3 END IONS BEGIN IONS FEATURE_ID=482 PEPMASS=191.0180 SCANS=482 RTINSECONDS=207.307 CHARGE=1- MSLEVEL=2 57.0068 2.2E3 57.0333 2.2E4 59.0126 8.8E3 67.0172 2.9E3 71.0124 1.6E4 75.7754 2.2E3 79.0814 2.3E3 83.0119 6.4E3 85.0278 9.0E4 87.0071 1.3E5 87.9240 4.6E3 96.8860 6.8E3 96.8928 3.5E3 97.9562 2.7E3 99.0070 1.1E4 101.0229 4.1E3 102.9471 3.6E4 111.0072 3.9E5 112.9863 4.5E4 124.3199 2.3E3 129.0176 3.0E4 146.9372 7.7E3 156.9254 2.4E3 171.9887 2.2E3 173.0078 8.0E3 191.0187 4.5E4 193.1613 2.5E3 END IONS BEGIN IONS FEATURE_ID=483 PEPMASS=226.9953 SCANS=483 RTINSECONDS=207.384 CHARGE=1- MSLEVEL=2 57.0332 1.8E4 59.0125 3.4E3 60.5219 2.4E3 60.6606 2.2E3 68.9968 3.3E3 71.0122 2.3E4 73.0278 5.3E3 74.2374 2.6E3 83.0121 1.3E4 85.0275 1.8E4 87.0068 3.3E3 96.8904 4.0E3 99.0068 1.0E5 111.0069 6.5E4 112.9862 1.3E5 129.0173 2.8E4 142.9969 1.4E4 173.0073 3.4E4 191.0182 3.8E3 203.3461 2.5E3 219.0447 2.4E3 226.9944 1.1E4 END IONS BEGIN IONS FEATURE_ID=484 PEPMASS=219.0136 SCANS=484 RTINSECONDS=207.437 CHARGE=1- MSLEVEL=2 55.1254 2.2E3 55.1789 2.2E3 57.0332 4.6E3 58.4589 1.9E3 63.7820 1.9E3 63.8676 2.1E3 71.0123 8.2E3 73.0282 2.5E3 73.5257 2.3E3 78.4054 2.4E3 83.0122 3.1E3 83.2263 2.0E3 85.0283 5.5E3 93.9470 2.6E3 95.0368 2.1E3 96.8892 7.5E3 99.0070 1.5E4 111.0071 8.4E3 112.9865 1.0E4 129.0179 9.0E3 142.9969 3.9E3 166.9442 2.5E3 192.1158 2.6E3 210.1140 2.3E3 END IONS BEGIN IONS FEATURE_ID=485 PEPMASS=254.0131 SCANS=485 RTINSECONDS=207.442 CHARGE=1- MSLEVEL=2 61.9871 3.8E5 74.2726 3.3E3 96.8914 2.7E3 132.0073 2.4E3 142.9972 4.0E3 154.4471 2.3E3 END IONS BEGIN IONS FEATURE_ID=486 PEPMASS=295.0313 SCANS=486 RTINSECONDS=207.451 CHARGE=1- MSLEVEL=2 59.0124 1.9E5 96.8867 3.7E3 103.0023 6.8E5 111.1106 3.1E3 113.6216 2.9E3 134.9302 3.8E3 140.7179 3.2E3 153.4140 3.1E3 309.9997 3.1E3 316.9180 3.7E3 END IONS BEGIN IONS FEATURE_ID=487 PEPMASS=129.0174 SCANS=487 RTINSECONDS=207.488 CHARGE=1- MSLEVEL=2 51.5288 2.4E3 56.2058 2.1E3 57.0332 5.0E3 67.0173 1.1E4 73.2351 2.2E3 82.9557 2.2E3 85.0281 2.5E3 96.8881 3.3E3 100.1950 2.1E3 102.0077 2.3E3 102.0203 2.8E3 114.2119 2.2E3 114.3721 2.2E3 129.0148 3.2E3 129.0324 2.4E3 129.0448 2.6E3 130.0954 2.0E3 145.4698 2.3E3 147.3293 2.4E3 END IONS BEGIN IONS FEATURE_ID=488 PEPMASS=99.0066 SCANS=488 RTINSECONDS=207.499 CHARGE=1- MSLEVEL=2 50.0023 5.2E3 53.0019 3.1E3 53.1181 1.9E3 53.9596 2.1E3 57.3488 1.9E3 64.4593 2.1E3 68.6570 1.9E3 68.9970 2.5E3 71.0124 8.1E4 96.8874 2.0E3 98.9544 4.9E3 99.0076 1.0E4 99.0183 1.9E4 106.5927 1.9E3 106.9162 1.9E3 110.2022 1.9E3 END IONS BEGIN IONS FEATURE_ID=489 PEPMASS=142.9967 SCANS=489 RTINSECONDS=207.503 CHARGE=1- MSLEVEL=2 51.5227 2.3E3 53.0021 6.3E3 64.5162 2.0E3 68.9967 2.6E3 71.0123 1.9E4 71.9617 2.0E3 73.8218 1.9E3 80.9968 2.1E3 87.0074 3.4E3 89.0132 2.6E3 96.2474 2.2E3 96.8860 2.8E3 96.8913 5.1E3 96.9919 6.7E3 112.9865 1.7E4 116.0241 4.5E3 117.9930 2.0E3 118.0017 2.0E3 124.9864 2.9E4 140.9823 5.2E3 142.9972 6.1E4 143.0238 5.5E3 143.0353 2.3E4 156.6069 1.9E3 158.9929 3.0E3 END IONS BEGIN IONS FEATURE_ID=490 PEPMASS=226.9959 SCANS=490 RTINSECONDS=207.521 CHARGE=1- MSLEVEL=2 52.2281 2.2E3 57.0332 1.1E4 57.1163 2.2E3 61.0749 2.2E3 70.2901 2.0E3 71.0124 1.3E4 73.0282 3.8E3 83.0124 8.6E3 85.0278 1.0E4 96.8876 5.7E3 99.0072 5.5E4 101.0229 2.5E3 102.4619 2.2E3 111.0072 3.2E4 112.9865 7.0E4 129.0175 1.6E4 129.1131 2.3E3 142.9974 8.7E3 156.4458 2.4E3 171.1921 2.6E3 173.0071 2.3E4 174.7874 2.6E3 191.0199 2.8E3 226.9971 8.6E3 END IONS BEGIN IONS FEATURE_ID=491 PEPMASS=111.0067 SCANS=491 RTINSECONDS=207.55 CHARGE=1- MSLEVEL=2 51.9079 2.0E3 55.0176 2.1E4 65.9973 2.5E3 83.0122 5.8E4 96.8901 3.5E3 106.7673 2.2E3 111.0076 9.5E3 END IONS BEGIN IONS FEATURE_ID=492 PEPMASS=173.0070 SCANS=492 RTINSECONDS=207.57 CHARGE=1- MSLEVEL=2 51.5381 2.1E3 53.0016 2.8E3 55.0175 1.1E4 57.0332 4.6E3 59.0123 1.3E4 62.0306 2.0E3 65.1219 2.3E3 67.0173 3.9E3 68.9967 3.7E3 71.0123 1.6E5 71.0174 3.4E3 72.9918 4.8E3 73.0281 8.1E3 76.2808 2.3E3 80.9964 2.9E3 83.0123 2.0E4 84.9914 2.9E3 85.0279 8.4E3 87.0070 4.4E3 94.1357 2.5E3 96.8892 5.4E3 99.0070 6.8E4 99.3323 2.4E3 111.0072 1.6E4 112.9863 1.6E5 115.0023 7.8E3 124.9861 3.1E4 129.0180 4.2E3 140.9824 3.1E3 142.9970 1.7E5 145.0141 4.0E3 147.9833 2.3E3 172.4359 2.5E3 173.0076 2.4E4 191.3369 2.1E3 END IONS BEGIN IONS FEATURE_ID=493 PEPMASS=85.0058 SCANS=493 RTINSECONDS=207.757 CHARGE=1- MSLEVEL=2 57.9921 4.7E5 58.2623 3.7E4 85.0028 1.0E7 END IONS BEGIN IONS FEATURE_ID=494 PEPMASS=104.0271 SCANS=494 RTINSECONDS=208.342 CHARGE=1- MSLEVEL=2 59.0125 1.7E4 60.0159 3.3E4 72.8059 1.7E4 80.4738 8.6E3 87.5380 8.4E3 96.8847 1.8E4 96.8914 4.3E4 98.2234 8.0E3 104.0242 2.5E4 END IONS BEGIN IONS FEATURE_ID=495 PEPMASS=84.9940 SCANS=495 RTINSECONDS=208.422 CHARGE=1- MSLEVEL=2 56.4214 3.1E4 57.9920 5.6E5 65.3026 3.4E4 70.3398 3.2E4 74.7570 3.3E4 77.3340 2.9E4 84.9919 5.1E4 85.0027 1.0E7 90.9492 3.2E4 94.6705 3.5E4 96.8915 4.7E4 END IONS BEGIN IONS FEATURE_ID=496 PEPMASS=163.0236 SCANS=496 RTINSECONDS=208.522 CHARGE=1- MSLEVEL=2 52.1687 2.0E3 65.0131 5.1E5 69.0965 2.1E3 79.3533 2.3E3 82.3072 1.9E3 91.9267 2.1E3 97.7102 2.4E3 105.8357 2.1E3 118.9914 7.0E3 130.7477 2.1E3 132.3610 2.4E3 END IONS BEGIN IONS FEATURE_ID=497 PEPMASS=104.0272 SCANS=497 RTINSECONDS=208.965 CHARGE=1- MSLEVEL=2 59.0127 2.2E4 60.0157 4.1E4 89.2239 7.3E3 96.8892 1.7E4 104.0244 7.9E3 END IONS BEGIN IONS FEATURE_ID=498 PEPMASS=191.0173 SCANS=498 RTINSECONDS=209.042 CHARGE=1- MSLEVEL=2 57.0331 1.2E4 59.0121 4.3E3 71.0122 1.4E4 82.5632 2.4E3 83.0121 3.7E3 85.0278 4.5E4 87.0070 6.5E4 87.9234 2.5E3 96.8914 7.3E3 97.8178 2.3E3 99.0076 8.0E3 102.9471 2.2E4 111.0069 2.0E5 112.9861 3.5E4 115.0034 3.0E3 115.2717 2.6E3 129.0175 1.3E4 146.9373 6.6E3 167.6307 2.6E3 173.0083 3.4E3 187.0934 2.3E3 191.0185 2.1E4 196.4319 2.3E3 END IONS BEGIN IONS FEATURE_ID=499 PEPMASS=104.0323 SCANS=499 RTINSECONDS=209.05 CHARGE=1- MSLEVEL=2 52.0052 4.9E3 55.4061 4.9E3 57.6206 5.3E3 59.0123 2.9E4 60.0157 5.0E4 75.5409 5.0E3 93.0094 5.1E3 104.0058 5.4E3 104.0240 1.1E4 111.4554 5.4E3 113.9947 5.6E3 END IONS BEGIN IONS FEATURE_ID=500 PEPMASS=104.0311 SCANS=500 RTINSECONDS=209.052 CHARGE=1- MSLEVEL=2 56.7525 5.9E3 59.0125 2.1E4 60.0155 4.4E4 69.9244 6.3E3 71.1076 7.1E3 88.2050 6.8E3 88.6659 8.3E3 96.4862 7.7E3 104.0238 2.7E4 END IONS BEGIN IONS FEATURE_ID=501 PEPMASS=84.9976 SCANS=501 RTINSECONDS=209.916 CHARGE=1- MSLEVEL=2 57.9921 4.9E5 73.3200 6.4E4 85.0028 1.0E7 85.0133 6.7E4 96.8869 1.6E5 END IONS BEGIN IONS FEATURE_ID=502 PEPMASS=85.0119 SCANS=502 RTINSECONDS=211.261 CHARGE=1- MSLEVEL=2 56.0285 2.9E4 57.9921 3.7E5 61.2255 2.7E4 70.2352 3.3E4 85.0028 7.9E6 96.8905 3.8E4 END IONS BEGIN IONS FEATURE_ID=503 PEPMASS=103.0056 SCANS=503 RTINSECONDS=211.277 CHARGE=1- MSLEVEL=2 53.8788 4.3E3 54.9794 5.1E3 57.5569 5.0E3 59.0127 2.1E6 66.2060 5.1E3 76.0050 2.9E4 77.0781 5.3E3 96.8907 7.4E3 103.0020 8.9E4 103.0157 5.1E4 109.2734 5.3E3 111.2721 5.0E3 123.4025 5.0E3 END IONS BEGIN IONS FEATURE_ID=504 PEPMASS=295.0264 SCANS=504 RTINSECONDS=211.891 CHARGE=1- MSLEVEL=2 51.5371 2.6E3 59.0122 2.3E4 66.1286 2.5E3 96.8892 5.8E3 103.0021 1.0E5 114.5250 2.5E3 166.3405 2.3E3 194.2712 2.4E3 230.1046 2.8E3 END IONS BEGIN IONS FEATURE_ID=505 PEPMASS=85.0060 SCANS=505 RTINSECONDS=212.771 CHARGE=1- MSLEVEL=2 57.9920 3.6E5 63.8960 2.4E4 65.0114 2.2E4 68.0003 2.8E4 84.2472 2.2E4 85.0028 7.6E6 85.0134 4.1E4 86.2661 2.2E4 96.8893 4.7E4 END IONS BEGIN IONS FEATURE_ID=506 PEPMASS=84.9959 SCANS=506 RTINSECONDS=212.775 CHARGE=1- MSLEVEL=2 52.1263 3.2E4 54.8195 3.0E4 57.9921 5.1E5 59.1602 3.1E4 59.5240 3.1E4 61.3036 2.9E4 61.3567 3.3E4 67.0996 3.0E4 67.9997 4.6E4 74.7360 2.9E4 85.0029 1.0E7 END IONS BEGIN IONS FEATURE_ID=507 PEPMASS=261.0852 SCANS=507 RTINSECONDS=214.737 CHARGE=1- MSLEVEL=2 54.0529 2.5E3 58.2100 2.1E3 59.0123 4.2E3 61.9510 2.1E3 64.0120 2.3E3 70.0283 1.2E4 72.0438 5.8E3 74.0230 9.3E4 92.1552 2.1E3 96.8870 3.8E3 98.0230 2.5E4 106.1342 2.4E3 116.0335 7.6E4 127.7521 2.2E3 128.0338 8.0E3 130.9428 2.9E3 132.0441 2.7E4 139.5784 2.4E3 140.9762 2.2E3 144.0451 5.0E3 174.9323 5.8E3 201.0655 1.9E4 202.5103 2.1E3 249.4771 2.3E3 261.0870 3.0E4 278.8110 2.4E3 END IONS BEGIN IONS FEATURE_ID=508 PEPMASS=84.9976 SCANS=508 RTINSECONDS=215.107 CHARGE=1- MSLEVEL=2 51.5205 4.5E4 52.4778 3.8E4 57.9921 6.6E5 85.0027 1.3E7 87.0689 3.5E4 96.8852 4.3E4 96.8904 6.4E4 END IONS BEGIN IONS FEATURE_ID=509 PEPMASS=191.0175 SCANS=509 RTINSECONDS=215.555 CHARGE=1- MSLEVEL=2 50.7614 2.0E3 57.0334 8.3E3 58.9574 3.1E3 59.0245 2.3E3 66.1118 2.1E3 67.0173 2.5E3 80.1341 2.4E3 85.0279 7.3E4 87.0071 1.1E5 96.8895 4.3E3 102.9471 3.7E4 108.5922 2.2E3 111.0072 3.3E5 129.0174 1.6E4 146.9372 7.7E3 154.9970 2.3E3 170.9838 2.4E3 173.0078 6.9E3 183.1882 2.6E3 191.0191 3.7E4 214.1257 2.6E3 END IONS BEGIN IONS FEATURE_ID=510 PEPMASS=104.0272 SCANS=510 RTINSECONDS=216.117 CHARGE=1- MSLEVEL=2 51.5732 5.1E3 55.7863 5.0E3 59.0122 7.2E3 60.0158 2.5E4 60.4808 8.3E3 62.7714 5.1E3 75.2361 5.9E3 78.5929 5.1E3 96.8905 7.9E3 104.0241 1.1E4 104.2333 4.4E3 124.1215 4.9E3 END IONS BEGIN IONS FEATURE_ID=511 PEPMASS=104.0283 SCANS=511 RTINSECONDS=216.675 CHARGE=1- MSLEVEL=2 51.4220 5.4E3 51.5233 5.1E3 78.4734 5.7E3 96.8895 1.5E4 103.9186 1.8E5 104.0243 1.1E4 113.7608 6.4E3 END IONS BEGIN IONS FEATURE_ID=512 PEPMASS=104.0321 SCANS=512 RTINSECONDS=216.915 CHARGE=1- MSLEVEL=2 53.1908 5.9E3 59.0127 7.6E3 59.7108 5.8E3 60.0159 2.6E4 62.6429 6.5E3 66.8821 5.9E3 68.2391 6.2E3 68.5239 5.6E3 74.5747 6.1E3 94.8171 8.0E3 96.8905 9.8E3 104.0238 2.4E4 END IONS BEGIN IONS FEATURE_ID=513 PEPMASS=84.9941 SCANS=513 RTINSECONDS=217 CHARGE=1- MSLEVEL=2 56.9451 4.1E4 57.9921 6.2E5 62.9439 3.8E4 65.5216 3.7E4 68.0003 4.2E4 71.9501 4.7E4 72.9317 3.8E4 79.8614 3.5E4 85.0028 1.1E7 91.6132 3.7E4 96.8906 4.9E4 END IONS BEGIN IONS FEATURE_ID=514 PEPMASS=103.0142 SCANS=514 RTINSECONDS=217.268 CHARGE=1- MSLEVEL=2 57.6414 6.2E3 59.0126 2.5E6 59.0204 7.4E3 76.0051 3.3E4 77.0780 8.8E3 78.9546 5.5E3 85.2186 6.5E3 85.3900 5.6E3 90.3549 5.8E3 103.0018 1.1E5 103.0163 4.3E4 103.0836 5.5E3 END IONS BEGIN IONS FEATURE_ID=515 PEPMASS=84.9960 SCANS=515 RTINSECONDS=217.613 CHARGE=1- MSLEVEL=2 51.5199 3.5E4 54.1829 3.4E4 57.9921 5.7E5 68.0000 5.8E4 74.6863 3.4E4 76.1704 3.5E4 85.0028 1.3E7 85.0135 7.5E4 90.2572 3.3E4 90.6383 3.5E4 94.2302 3.0E4 96.8875 4.2E4 END IONS BEGIN IONS FEATURE_ID=516 PEPMASS=104.0293 SCANS=516 RTINSECONDS=217.785 CHARGE=1- MSLEVEL=2 51.3300 5.4E3 59.0124 7.8E3 60.0157 2.1E4 60.8051 5.4E3 67.7006 7.1E3 73.1943 6.2E3 74.9400 6.1E3 77.8888 6.1E3 90.7693 6.5E3 96.8863 6.3E3 96.8917 8.5E3 104.0240 2.0E4 121.9739 6.7E3 END IONS BEGIN IONS FEATURE_ID=517 PEPMASS=84.9976 SCANS=517 RTINSECONDS=218.018 CHARGE=1- MSLEVEL=2 51.1790 3.2E4 51.5247 3.2E4 57.9920 3.7E5 61.3753 3.4E4 67.9998 2.9E4 78.4259 2.8E4 79.1154 3.1E4 82.0444 3.0E4 85.0028 7.8E6 END IONS BEGIN IONS FEATURE_ID=518 PEPMASS=85.0117 SCANS=518 RTINSECONDS=218.345 CHARGE=1- MSLEVEL=2 57.9920 5.5E5 59.4790 3.5E4 60.1189 3.2E4 61.0022 3.6E4 61.2182 3.1E4 67.7077 3.3E4 68.0001 4.8E4 74.2143 3.0E4 82.6203 3.2E4 85.0027 9.0E6 96.8896 4.6E4 END IONS BEGIN IONS FEATURE_ID=519 PEPMASS=105.0207 SCANS=519 RTINSECONDS=218.778 CHARGE=1- MSLEVEL=2 50.3473 1.8E3 51.8890 2.1E3 53.3420 1.9E3 61.0165 2.5E3 63.5566 2.0E3 68.3327 2.3E3 72.7755 2.0E3 85.9465 1.9E3 96.8890 3.9E3 96.9107 2.2E3 110.3862 2.5E3 110.3956 1.9E3 END IONS BEGIN IONS FEATURE_ID=520 PEPMASS=163.0235 SCANS=520 RTINSECONDS=219.059 CHARGE=1- MSLEVEL=2 65.0131 5.0E5 65.8645 2.1E3 73.2232 1.9E3 84.6726 2.0E3 96.9388 2.2E3 98.6568 2.4E3 118.9907 6.7E3 134.2024 2.3E3 162.8378 2.9E3 180.5379 2.5E3 END IONS BEGIN IONS FEATURE_ID=521 PEPMASS=103.0056 SCANS=521 RTINSECONDS=219.948 CHARGE=1- MSLEVEL=2 59.0126 1.1E6 76.0051 2.6E4 88.0050 2.6E3 88.5445 2.3E3 96.8873 2.3E3 103.0020 3.8E4 103.0161 5.8E4 103.0284 4.2E3 106.9507 2.2E3 107.5658 2.2E3 110.3920 2.3E3 END IONS BEGIN IONS FEATURE_ID=522 PEPMASS=84.9991 SCANS=522 RTINSECONDS=220.268 CHARGE=1- MSLEVEL=2 56.7915 3.3E4 57.9918 4.5E5 61.5837 2.8E4 70.2193 3.6E4 85.0027 9.4E6 85.0704 3.3E4 87.6107 2.9E4 96.8900 5.0E4 END IONS BEGIN IONS FEATURE_ID=523 PEPMASS=104.0201 SCANS=523 RTINSECONDS=221.543 CHARGE=1- MSLEVEL=2 51.7079 6.1E3 56.7789 7.0E3 60.0160 1.3E4 60.8132 7.1E3 62.7700 6.6E3 75.6531 7.2E3 96.8638 6.3E3 96.8897 8.5E3 104.0248 6.6E3 105.2666 6.2E3 END IONS BEGIN IONS FEATURE_ID=524 PEPMASS=104.0319 SCANS=524 RTINSECONDS=222.355 CHARGE=1- MSLEVEL=2 59.0124 1.1E4 60.0159 1.3E4 62.7346 6.8E3 72.7887 1.4E4 89.6351 6.7E3 96.8870 2.9E4 96.8929 1.3E4 104.0243 1.4E4 END IONS BEGIN IONS FEATURE_ID=525 PEPMASS=435.1277 SCANS=525 RTINSECONDS=222.518 CHARGE=1- MSLEVEL=2 64.1180 2.5E3 85.2480 2.6E3 93.0330 5.4E3 109.0281 5.7E3 116.4668 2.5E3 119.0478 2.7E3 122.0364 3.0E3 123.0433 2.0E4 134.0353 3.1E3 135.0433 1.8E4 136.0515 6.2E3 137.0595 4.7E3 145.8985 2.5E3 148.0149 6.8E3 149.0233 3.9E3 150.0314 4.3E3 151.0385 2.9E4 161.0234 9.8E3 162.0307 2.4E4 163.0388 4.3E4 165.0175 2.5E3 165.0534 3.4E3 167.0341 3.2E3 174.9160 2.8E3 175.0389 3.8E3 179.0356 3.6E3 181.0486 7.7E3 189.0177 7.3E3 190.0263 4.9E4 191.0343 6.5E4 192.0407 2.9E3 193.0492 3.4E3 202.0270 3.9E3 203.0349 4.4E3 204.0455 3.3E3 208.0380 2.8E3 209.0448 3.6E4 220.0378 3.2E4 221.0444 2.6E4 230.0272 3.3E3 239.0561 1.3E4 243.1028 3.2E3 269.0810 4.2E3 271.0986 3.6E3 276.5560 3.5E3 283.0992 3.2E3 297.0777 4.0E4 299.0940 6.3E3 309.0767 6.2E3 315.0880 2.2E5 327.0865 1.2E4 345.0989 7.0E4 357.1000 4.7E3 399.1035 3.1E3 417.1191 1.2E4 435.1296 9.4E4 END IONS BEGIN IONS FEATURE_ID=526 PEPMASS=85.0058 SCANS=526 RTINSECONDS=222.944 CHARGE=1- MSLEVEL=2 57.9920 5.1E5 64.4785 2.8E4 68.0002 3.3E4 84.9920 7.7E4 85.0027 1.1E7 85.0263 3.0E4 96.8902 4.1E4 END IONS BEGIN IONS FEATURE_ID=527 PEPMASS=104.0293 SCANS=527 RTINSECONDS=224.304 CHARGE=1- MSLEVEL=2 59.0125 1.7E4 60.0159 3.3E4 72.8059 1.7E4 80.4738 8.6E3 87.5380 8.4E3 96.8847 1.8E4 96.8914 4.3E4 98.2234 8.0E3 104.0242 2.5E4 END IONS BEGIN IONS FEATURE_ID=528 PEPMASS=104.0282 SCANS=528 RTINSECONDS=224.825 CHARGE=1- MSLEVEL=2 59.0124 1.1E4 60.0159 1.3E4 62.7346 6.8E3 72.7887 1.4E4 89.6351 6.7E3 96.8870 2.9E4 96.8929 1.3E4 104.0243 1.4E4 END IONS BEGIN IONS FEATURE_ID=529 PEPMASS=310.9459 SCANS=529 RTINSECONDS=225.083 CHARGE=1- MSLEVEL=2 51.5252 3.1E3 64.9737 2.5E3 69.0077 2.7E3 71.4366 2.5E3 71.9526 2.2E3 80.1958 2.5E3 83.6127 2.3E3 83.9946 2.5E4 85.0026 9.7E4 87.9238 7.9E3 99.9468 2.2E3 101.9272 3.1E3 102.9347 6.2E3 103.9189 1.1E4 104.2718 2.3E3 104.9262 8.8E3 105.9343 1.1E4 106.9418 2.9E3 111.9349 3.2E3 113.9262 3.7E3 115.9421 4.6E4 123.9444 4.3E4 124.9422 3.0E3 126.4975 2.4E3 128.9375 1.2E4 129.9214 3.0E3 129.9454 3.1E3 131.9368 3.9E3 134.7983 2.3E3 140.9383 2.5E3 147.9565 3.5E3 148.9401 6.4E3 173.9365 7.8E3 175.9514 3.7E3 183.0110 4.7E3 183.9443 9.9E3 191.9464 2.5E4 207.4086 2.6E3 241.9377 3.5E3 242.9457 6.7E3 243.9544 4.8E3 259.9473 3.2E4 310.9489 7.1E3 311.1690 4.3E4 END IONS BEGIN IONS FEATURE_ID=530 PEPMASS=102.0084 SCANS=530 RTINSECONDS=225.142 CHARGE=1- MSLEVEL=2 52.4969 1.7E3 53.7997 2.1E3 59.0123 1.8E4 61.0043 2.1E3 74.4794 2.0E3 87.3572 2.1E3 96.8869 2.5E3 96.8922 2.6E3 102.0079 1.6E4 109.1381 2.0E3 END IONS BEGIN IONS FEATURE_ID=531 PEPMASS=84.9941 SCANS=531 RTINSECONDS=225.265 CHARGE=1- MSLEVEL=2 52.1945 3.7E4 54.6609 3.9E4 57.9921 6.5E5 66.4409 4.5E4 69.0305 4.3E4 80.6524 4.1E4 85.0028 1.2E7 85.0136 7.3E4 95.6577 4.1E4 96.8893 4.6E4 104.7054 4.0E4 END IONS BEGIN IONS FEATURE_ID=532 PEPMASS=104.0272 SCANS=532 RTINSECONDS=225.698 CHARGE=1- MSLEVEL=2 59.0125 9.0E3 60.0159 2.3E4 61.0758 7.6E3 61.0882 7.3E3 72.7302 9.3E3 80.1579 6.6E3 96.8877 3.2E4 96.8937 1.7E4 98.9289 7.3E3 104.0245 1.4E4 END IONS BEGIN IONS FEATURE_ID=533 PEPMASS=103.0056 SCANS=533 RTINSECONDS=226.123 CHARGE=1- MSLEVEL=2 57.6929 2.3E3 59.0126 7.1E5 61.1802 2.1E3 61.3037 2.0E3 76.0049 1.2E4 77.7744 2.3E3 78.2306 2.2E3 78.9569 2.1E3 95.7901 2.5E3 100.8824 2.2E3 103.0021 3.1E4 103.0159 3.7E4 111.3965 2.1E3 114.9023 2.1E3 115.6593 2.2E3 END IONS BEGIN IONS FEATURE_ID=534 PEPMASS=85.0120 SCANS=534 RTINSECONDS=226.146 CHARGE=1- MSLEVEL=2 50.5076 2.6E4 50.8039 3.0E4 51.5217 2.8E4 51.6664 2.8E4 57.9921 5.1E5 58.5262 2.9E4 61.8028 2.8E4 63.0772 2.9E4 67.9998 2.9E4 78.1474 2.7E4 85.0028 9.7E6 85.0135 7.1E4 96.8873 3.0E4 END IONS BEGIN IONS FEATURE_ID=535 PEPMASS=104.0295 SCANS=535 RTINSECONDS=226.565 CHARGE=1- MSLEVEL=2 55.0987 5.9E3 60.0156 5.8E3 63.7251 5.2E3 69.6199 5.1E3 72.8588 5.3E3 76.0529 5.2E3 84.0319 4.9E3 96.8886 8.2E3 104.0243 1.2E4 END IONS BEGIN IONS FEATURE_ID=536 PEPMASS=84.9954 SCANS=536 RTINSECONDS=226.671 CHARGE=1- MSLEVEL=2 50.1593 3.4E4 57.9921 5.2E5 59.1056 3.5E4 65.1070 3.6E4 67.9999 5.4E4 85.0028 1.1E7 85.0134 6.9E4 94.3806 4.5E4 96.8869 4.8E4 END IONS BEGIN IONS FEATURE_ID=537 PEPMASS=84.9974 SCANS=537 RTINSECONDS=227.194 CHARGE=1- MSLEVEL=2 52.1945 3.7E4 54.6609 3.9E4 57.9921 6.5E5 66.4409 4.5E4 69.0305 4.3E4 80.6524 4.1E4 85.0028 1.2E7 85.0136 7.3E4 95.6577 4.1E4 96.8893 4.6E4 104.7054 4.0E4 END IONS BEGIN IONS FEATURE_ID=538 PEPMASS=84.9939 SCANS=538 RTINSECONDS=228.977 CHARGE=1- MSLEVEL=2 57.9921 3.9E5 85.0028 7.4E6 96.8917 3.4E4 97.3160 2.6E4 101.7527 2.4E4 END IONS BEGIN IONS FEATURE_ID=539 PEPMASS=103.0124 SCANS=539 RTINSECONDS=229.083 CHARGE=1- MSLEVEL=2 51.3174 3.3E3 55.1671 2.8E3 58.9971 3.8E3 59.0065 9.1E3 59.0126 1.5E6 76.0050 2.3E4 77.0782 5.3E3 83.1974 3.0E3 90.8735 3.2E3 96.8885 5.2E3 103.0021 5.5E4 103.0162 6.8E4 END IONS BEGIN IONS FEATURE_ID=540 PEPMASS=103.0153 SCANS=540 RTINSECONDS=229.093 CHARGE=1- MSLEVEL=2 51.4954 2.2E3 59.0127 6.1E5 76.0051 1.6E4 82.0038 2.1E3 92.6085 2.0E3 96.7422 2.2E3 103.0023 2.2E4 103.0163 3.9E4 103.0285 2.9E3 END IONS BEGIN IONS FEATURE_ID=541 PEPMASS=104.0319 SCANS=541 RTINSECONDS=230.695 CHARGE=1- MSLEVEL=2 55.9712 7.0E3 56.3702 7.2E3 59.0123 8.4E3 60.0157 1.1E4 60.4625 7.2E3 69.8325 6.4E3 73.5303 6.3E3 104.0241 1.8E4 124.4371 7.3E3 END IONS BEGIN IONS FEATURE_ID=542 PEPMASS=104.0325 SCANS=542 RTINSECONDS=230.783 CHARGE=1- MSLEVEL=2 51.4390 4.3E3 51.5134 4.9E3 54.9379 4.5E3 59.0125 4.6E3 60.0158 1.5E4 69.5362 4.3E3 78.3042 4.2E3 96.8872 7.7E3 101.6875 4.4E3 104.0240 1.4E4 113.2913 4.5E3 122.8467 4.7E3 END IONS BEGIN IONS FEATURE_ID=543 PEPMASS=104.0271 SCANS=543 RTINSECONDS=230.894 CHARGE=1- MSLEVEL=2 51.5324 8.9E3 76.3580 5.9E3 96.8904 1.4E4 104.0235 1.4E4 115.1993 6.8E3 124.6966 7.6E3 END IONS BEGIN IONS FEATURE_ID=544 PEPMASS=84.9976 SCANS=544 RTINSECONDS=231.551 CHARGE=1- MSLEVEL=2 57.9922 4.5E5 68.0002 3.5E4 76.0656 4.6E4 85.0028 9.6E6 END IONS BEGIN IONS FEATURE_ID=545 PEPMASS=237.0787 SCANS=545 RTINSECONDS=232.092 CHARGE=1- MSLEVEL=2 56.1455 2.3E3 69.7529 2.4E3 70.0878 2.1E3 71.3162 2.4E3 79.9559 4.9E4 80.9635 5.3E4 87.0507 2.9E3 96.8876 3.1E3 107.4683 2.6E3 134.4485 2.6E3 193.0894 8.4E3 219.0693 7.6E3 237.0798 3.1E5 END IONS BEGIN IONS FEATURE_ID=546 PEPMASS=84.9957 SCANS=546 RTINSECONDS=233.241 CHARGE=1- MSLEVEL=2 57.8459 3.7E4 57.9920 5.1E5 67.9999 6.9E4 69.8340 3.5E4 85.0028 1.2E7 85.0133 7.1E4 96.8913 4.5E4 END IONS BEGIN IONS FEATURE_ID=547 PEPMASS=85.0058 SCANS=547 RTINSECONDS=233.947 CHARGE=1- MSLEVEL=2 57.9922 4.0E5 69.2352 2.9E4 78.4431 2.5E4 85.0029 7.3E6 96.8887 4.7E4 END IONS BEGIN IONS FEATURE_ID=548 PEPMASS=85.0120 SCANS=548 RTINSECONDS=233.947 CHARGE=1- MSLEVEL=2 52.5358 2.3E4 57.9920 4.1E5 64.5427 2.4E4 70.1630 2.7E4 71.4098 2.8E4 85.0028 7.0E6 85.0135 5.1E4 96.8900 6.7E4 100.0551 2.3E4 END IONS BEGIN IONS FEATURE_ID=549 PEPMASS=191.0178 SCANS=549 RTINSECONDS=234.043 CHARGE=1- MSLEVEL=2 51.5191 2.1E3 54.8295 2.1E3 57.0332 1.9E4 66.0776 2.2E3 66.3250 2.1E3 67.0169 2.4E3 75.3630 2.1E3 83.4395 2.4E3 85.0279 9.3E4 87.0071 1.3E5 87.2603 2.3E3 87.3246 2.4E3 87.9236 3.0E3 101.0230 2.4E3 102.9472 2.5E4 111.0073 4.2E5 129.0176 2.2E4 146.9375 8.2E3 147.0267 3.1E3 154.3161 2.2E3 158.9034 2.4E3 160.0223 2.1E3 172.3197 2.3E3 173.0077 7.4E3 191.0189 5.1E4 191.0546 2.8E3 END IONS BEGIN IONS FEATURE_ID=550 PEPMASS=103.0054 SCANS=550 RTINSECONDS=234.181 CHARGE=1- MSLEVEL=2 51.5370 2.1E3 59.0126 8.2E5 67.6660 2.0E3 68.3131 2.2E3 76.0051 2.0E4 77.0780 2.5E3 88.0052 2.2E3 96.8896 6.2E3 103.0021 3.1E4 103.0158 4.4E4 103.0284 3.9E3 116.9200 2.1E3 END IONS BEGIN IONS FEATURE_ID=551 PEPMASS=157.0120 SCANS=551 RTINSECONDS=234.622 CHARGE=1- MSLEVEL=2 57.0334 7.9E5 59.0122 2.9E3 67.0174 3.6E3 69.0330 8.1E3 70.6000 2.1E3 71.0119 2.9E3 71.8726 2.1E3 85.0279 5.1E4 96.8880 2.7E3 102.0081 1.3E4 113.0228 1.5E5 118.7066 2.9E3 142.3673 3.0E3 157.0127 2.2E4 157.0507 4.2E3 157.1212 2.8E3 END IONS BEGIN IONS FEATURE_ID=552 PEPMASS=125.0219 SCANS=552 RTINSECONDS=235.223 CHARGE=1- MSLEVEL=2 58.5093 1.9E3 59.8633 2.0E3 62.8800 2.0E3 65.8304 1.9E3 67.0180 2.5E3 73.4849 1.9E3 76.6282 1.8E3 81.0330 6.4E3 87.0488 2.1E3 125.0232 6.9E3 END IONS BEGIN IONS FEATURE_ID=553 PEPMASS=187.0228 SCANS=553 RTINSECONDS=235.247 CHARGE=1- MSLEVEL=2 53.2224 2.4E3 57.4023 2.2E3 67.0174 4.2E3 81.0332 1.0E4 96.8881 3.9E3 99.0433 8.5E4 115.0385 4.0E3 125.0224 2.8E5 126.7435 2.1E3 143.0330 1.2E4 143.0695 2.2E3 187.0238 1.5E4 END IONS BEGIN IONS FEATURE_ID=554 PEPMASS=187.0239 SCANS=554 RTINSECONDS=235.253 CHARGE=1- MSLEVEL=2 58.4746 2.2E3 67.0173 4.0E3 75.2343 2.6E3 81.0333 2.0E4 99.0436 1.5E5 99.0525 2.7E3 99.9234 2.6E3 115.0383 7.5E3 119.0976 3.0E3 125.0229 5.1E5 125.0390 4.2E3 125.0415 3.9E3 126.9832 2.3E3 129.8533 2.1E3 143.0336 1.8E4 155.0938 2.3E3 156.1010 2.0E3 187.0241 2.5E4 193.3911 2.4E3 END IONS BEGIN IONS FEATURE_ID=555 PEPMASS=223.0626 SCANS=555 RTINSECONDS=236.778 CHARGE=1- MSLEVEL=2 51.5383 2.9E3 61.2774 2.6E3 63.5410 2.2E3 74.9922 2.2E3 79.9557 4.2E4 80.9635 8.3E4 81.3946 2.4E3 93.9749 2.2E3 96.8868 3.3E3 127.0129 2.2E3 179.0730 3.0E4 189.2091 2.3E3 205.0526 2.6E4 223.0638 3.3E5 END IONS BEGIN IONS FEATURE_ID=556 PEPMASS=84.9939 SCANS=556 RTINSECONDS=236.864 CHARGE=1- MSLEVEL=2 56.6902 3.0E4 57.9921 5.0E5 57.9956 5.6E4 62.6090 4.0E4 64.0728 3.0E4 66.0882 3.5E4 68.0001 4.7E4 85.0028 1.1E7 85.0133 5.9E4 93.6459 4.1E4 96.8869 3.8E4 END IONS BEGIN IONS FEATURE_ID=557 PEPMASS=223.0640 SCANS=557 RTINSECONDS=236.922 CHARGE=1- MSLEVEL=2 61.9736 2.0E3 79.9558 5.3E4 80.9636 9.4E4 101.2066 2.5E3 105.3666 2.7E3 107.1637 2.5E3 125.0631 2.3E3 140.9447 2.1E3 160.6810 2.3E3 179.0731 2.8E4 184.9078 2.3E3 205.0533 3.5E4 223.0639 4.1E5 END IONS BEGIN IONS FEATURE_ID=558 PEPMASS=104.0295 SCANS=558 RTINSECONDS=237.223 CHARGE=1- MSLEVEL=2 57.2792 6.4E3 59.0126 6.7E3 60.0157 1.0E4 63.7381 6.1E3 65.2429 6.4E3 65.9547 5.9E3 66.6063 6.6E3 66.6273 5.4E3 71.9506 6.2E3 72.1067 5.8E3 96.8907 1.5E4 97.5904 6.5E3 104.0237 1.6E4 END IONS BEGIN IONS FEATURE_ID=559 PEPMASS=86.0056 SCANS=559 RTINSECONDS=237.357 CHARGE=1- MSLEVEL=2 57.9921 8.5E3 58.9890 2.1E3 58.9955 6.3E3 86.0000 7.0E4 86.0062 2.1E5 96.8894 3.6E3 END IONS BEGIN IONS FEATURE_ID=560 PEPMASS=103.0136 SCANS=560 RTINSECONDS=238.102 CHARGE=1- MSLEVEL=2 59.0083 3.0E3 59.0089 3.8E3 59.0125 2.1E5 76.0049 2.4E4 88.0048 2.1E3 96.8923 2.5E3 103.0160 5.9E4 103.0291 2.3E3 114.1392 2.2E3 123.4995 2.5E3 END IONS BEGIN IONS FEATURE_ID=561 PEPMASS=85.0122 SCANS=561 RTINSECONDS=238.125 CHARGE=1- MSLEVEL=2 51.9842 2.9E4 57.9921 3.6E5 65.7635 2.9E4 85.0028 7.6E6 88.1544 3.4E4 96.8909 4.7E4 END IONS BEGIN IONS FEATURE_ID=562 PEPMASS=163.0237 SCANS=562 RTINSECONDS=238.864 CHARGE=1- MSLEVEL=2 61.9870 6.8E3 65.0131 3.5E5 90.8944 2.6E3 96.8891 2.7E3 109.4684 2.2E3 118.9914 3.3E3 124.4119 2.1E3 135.7655 2.1E3 162.8377 3.4E4 END IONS BEGIN IONS FEATURE_ID=563 PEPMASS=104.0272 SCANS=563 RTINSECONDS=239.188 CHARGE=1- MSLEVEL=2 50.0028 7.3E3 55.9237 9.3E3 57.0667 7.5E3 59.0123 1.1E4 60.0159 2.4E4 62.1651 7.2E3 67.3213 7.9E3 72.1830 7.9E3 72.3564 7.5E3 86.3232 7.9E3 87.6288 8.5E3 96.8862 1.6E4 96.8921 1.9E4 104.0241 2.1E4 116.6956 8.7E3 124.7300 7.8E3 END IONS BEGIN IONS FEATURE_ID=564 PEPMASS=84.9963 SCANS=564 RTINSECONDS=239.802 CHARGE=1- MSLEVEL=2 57.9920 5.3E5 63.9194 3.8E4 71.2504 3.8E4 76.3739 4.0E4 84.5950 4.2E4 85.0028 1.1E7 96.8870 8.6E4 96.8925 5.2E4 99.0220 4.1E4 END IONS BEGIN IONS FEATURE_ID=565 PEPMASS=84.9975 SCANS=565 RTINSECONDS=240.668 CHARGE=1- MSLEVEL=2 57.9921 6.2E5 59.8060 3.5E4 60.5550 3.4E4 63.8981 3.1E4 67.9999 5.9E4 85.0028 1.2E7 92.3781 3.5E4 96.8871 5.1E4 END IONS BEGIN IONS FEATURE_ID=566 PEPMASS=243.8814 SCANS=566 RTINSECONDS=240.747 CHARGE=1- MSLEVEL=2 51.0799 2.4E3 53.2140 2.3E3 60.0249 2.6E3 61.9823 3.8E5 75.0365 2.4E3 77.6379 2.6E3 96.8953 3.7E3 99.9167 1.1E4 106.9092 5.7E4 115.5218 2.5E3 119.9137 4.3E3 119.9219 2.5E3 147.8381 2.2E3 150.9204 2.4E3 151.9008 5.5E3 152.8873 5.0E3 152.8990 6.7E4 152.9117 3.3E3 162.0445 2.3E3 178.9111 2.7E3 180.9751 8.9E3 193.4232 2.8E3 196.9865 2.5E3 197.8911 1.2E5 198.8890 1.9E5 199.8355 2.5E3 200.8437 6.6E3 204.9744 5.4E3 224.9801 4.4E3 243.8561 5.0E3 243.8814 1.2E5 243.9007 1.6E3 244.8793 5.0E3 END IONS BEGIN IONS FEATURE_ID=567 PEPMASS=84.9974 SCANS=567 RTINSECONDS=240.768 CHARGE=1- MSLEVEL=2 52.3425 3.4E4 57.9920 5.0E5 76.6285 3.8E4 81.1595 3.3E4 81.1982 3.7E4 85.0028 1.1E7 88.8960 4.1E4 END IONS BEGIN IONS FEATURE_ID=568 PEPMASS=146.9540 SCANS=568 RTINSECONDS=240.981 CHARGE=1- MSLEVEL=2 58.9531 1.4E4 60.0578 2.1E3 61.9823 4.6E5 68.9892 3.8E3 77.9454 2.2E3 87.9174 2.5E4 89.9177 6.0E3 90.2726 2.1E3 90.9157 1.0E4 90.9255 1.3E4 91.9231 1.7E4 93.9388 3.5E3 96.8954 3.2E3 99.9169 5.1E3 100.9248 4.3E3 102.9238 1.1E4 102.9398 4.5E4 103.9282 2.7E3 115.9110 5.2E3 117.9089 1.3E4 118.9145 7.4E3 120.5985 2.2E3 146.8869 3.0E3 146.9546 6.0E3 146.9762 1.3E4 146.9947 3.8E3 END IONS BEGIN IONS FEATURE_ID=569 PEPMASS=85.0118 SCANS=569 RTINSECONDS=241.167 CHARGE=1- MSLEVEL=2 53.9952 3.1E4 57.9921 6.3E5 65.8098 3.9E4 67.1344 3.3E4 68.0000 5.2E4 68.4358 3.2E4 71.9407 5.5E4 76.5559 3.5E4 84.9891 4.7E4 85.0028 1.2E7 85.0135 8.1E4 85.2744 3.5E4 96.8881 5.3E4 END IONS BEGIN IONS FEATURE_ID=570 PEPMASS=104.0283 SCANS=570 RTINSECONDS=241.675 CHARGE=1- MSLEVEL=2 50.9812 6.1E3 51.5228 6.9E3 60.1126 6.5E3 60.4686 6.7E3 64.2292 6.0E3 85.0544 5.2E3 92.2825 6.5E3 96.8871 6.0E3 104.0245 2.1E4 110.7360 5.5E3 114.3057 6.2E3 END IONS BEGIN IONS FEATURE_ID=571 PEPMASS=104.0296 SCANS=571 RTINSECONDS=242.394 CHARGE=1- MSLEVEL=2 69.6940 4.5E3 91.0654 4.3E3 96.8896 4.7E3 104.0239 1.2E4 108.2756 4.4E3 120.2943 4.8E3 END IONS BEGIN IONS FEATURE_ID=572 PEPMASS=104.0324 SCANS=572 RTINSECONDS=242.54 CHARGE=1- MSLEVEL=2 51.5186 6.0E3 59.0122 7.1E3 60.0159 7.3E3 66.9246 5.5E3 75.1502 5.8E3 85.1659 6.6E3 87.0677 7.2E3 89.1484 6.9E3 104.0242 1.3E4 104.2516 5.9E3 107.5335 6.1E3 109.8375 5.3E3 109.8866 6.4E3 END IONS BEGIN IONS FEATURE_ID=573 PEPMASS=84.9940 SCANS=573 RTINSECONDS=243.524 CHARGE=1- MSLEVEL=2 57.5234 3.4E4 57.9921 5.9E5 67.9998 3.4E4 70.6871 3.3E4 83.7366 3.6E4 84.9924 5.4E4 84.9938 4.9E4 85.0028 1.0E7 95.1718 3.5E4 96.8896 6.6E4 END IONS BEGIN IONS FEATURE_ID=574 PEPMASS=179.0550 SCANS=574 RTINSECONDS=244.132 CHARGE=1- MSLEVEL=2 57.0333 1.7E4 59.0125 1.0E5 60.4581 2.7E3 71.0122 1.7E4 73.0280 3.8E3 81.0335 2.6E3 83.0123 7.4E4 85.0277 3.2E3 87.0435 4.4E3 89.0229 1.2E4 96.8884 2.6E3 99.0067 5.5E3 101.0229 2.2E5 101.0319 2.4E3 107.6546 2.0E3 117.0542 4.3E3 161.0441 4.7E3 179.0547 4.3E4 END IONS BEGIN IONS FEATURE_ID=575 PEPMASS=179.0537 SCANS=575 RTINSECONDS=244.356 CHARGE=1- MSLEVEL=2 57.0334 2.1E4 59.0124 1.5E5 63.9913 2.2E3 65.4573 2.6E3 71.0123 2.0E4 73.0283 5.5E3 81.0331 5.1E3 83.0122 1.0E5 85.0275 4.2E3 87.0436 6.3E3 89.0227 1.5E4 96.8855 2.5E3 96.8919 2.8E3 99.0076 3.8E3 101.0229 2.8E5 107.4791 2.5E3 117.0546 7.6E3 121.6104 2.3E3 131.0350 2.0E3 135.0656 2.5E3 154.4095 2.2E3 161.0441 4.9E3 162.0360 2.4E3 179.0545 5.7E4 191.1746 2.2E3 195.7387 2.5E3 END IONS BEGIN IONS FEATURE_ID=576 PEPMASS=191.0173 SCANS=576 RTINSECONDS=245.588 CHARGE=1- MSLEVEL=2 51.5122 2.5E3 56.0965 2.3E3 57.0333 8.6E3 61.3607 2.1E3 71.0122 2.2E3 72.9914 2.4E3 78.1591 1.9E3 82.6724 2.1E3 85.0278 4.6E4 85.4234 2.2E3 87.0071 6.9E4 89.0227 5.2E3 93.3119 2.3E3 101.0228 1.9E4 102.9472 3.1E4 111.0071 2.1E5 114.7728 2.3E3 129.0174 1.1E4 129.0543 1.3E4 137.1846 2.0E3 145.6318 2.3E3 146.9373 8.0E3 154.9975 3.8E3 173.0088 7.8E3 173.0450 3.2E3 183.8892 2.2E3 191.0188 2.4E4 191.0544 1.2E4 194.7641 2.7E3 210.5111 2.8E3 END IONS BEGIN IONS FEATURE_ID=577 PEPMASS=85.0001 SCANS=577 RTINSECONDS=245.969 CHARGE=1- MSLEVEL=2 51.5218 2.9E4 57.9920 3.8E5 67.5590 2.7E4 68.0000 3.0E4 82.1482 2.5E4 84.9921 3.5E4 85.0027 8.4E6 96.8885 6.8E4 END IONS BEGIN IONS FEATURE_ID=578 PEPMASS=85.0059 SCANS=578 RTINSECONDS=247.317 CHARGE=1- MSLEVEL=2 57.9921 5.6E5 62.4555 3.3E4 67.9999 6.8E4 75.8768 3.4E4 85.0028 1.0E7 87.0698 3.0E4 96.8888 5.2E4 END IONS BEGIN IONS FEATURE_ID=579 PEPMASS=104.0271 SCANS=579 RTINSECONDS=248.017 CHARGE=1- MSLEVEL=2 74.3424 4.3E3 77.5504 5.4E3 78.1173 5.2E3 96.8916 1.4E4 102.0588 4.9E3 103.9187 1.4E5 104.0238 1.6E4 END IONS BEGIN IONS FEATURE_ID=580 PEPMASS=84.9972 SCANS=580 RTINSECONDS=248.186 CHARGE=1- MSLEVEL=2 57.9922 5.0E5 58.0377 2.6E4 68.0002 3.6E4 84.9265 2.5E4 84.9920 6.2E4 85.0028 9.1E6 96.8890 4.0E4 END IONS BEGIN IONS FEATURE_ID=581 PEPMASS=104.0204 SCANS=581 RTINSECONDS=248.996 CHARGE=1- MSLEVEL=2 50.9293 5.5E3 60.0157 5.9E3 82.7254 5.5E3 91.1122 5.2E3 92.9011 7.0E3 96.7382 6.1E3 96.8884 8.1E3 104.0240 1.3E4 END IONS BEGIN IONS FEATURE_ID=582 PEPMASS=104.0295 SCANS=582 RTINSECONDS=249.636 CHARGE=1- MSLEVEL=2 71.8559 5.0E3 78.9953 5.5E3 96.8879 1.1E4 100.9367 4.7E3 103.9186 9.7E4 104.0246 1.1E4 111.6392 5.4E3 116.9024 5.0E3 END IONS BEGIN IONS FEATURE_ID=583 PEPMASS=163.0234 SCANS=583 RTINSECONDS=249.702 CHARGE=1- MSLEVEL=2 58.1460 2.2E3 58.4742 2.4E3 60.4644 2.3E3 65.0131 3.4E5 71.8601 2.4E3 78.9723 2.1E3 85.5866 2.0E3 118.9918 6.5E3 119.0487 2.5E3 127.3620 2.5E3 134.4576 2.1E3 135.6425 2.1E3 153.2836 2.0E3 162.8388 4.0E3 181.0649 2.1E3 END IONS BEGIN IONS FEATURE_ID=584 PEPMASS=84.9943 SCANS=584 RTINSECONDS=250.05 CHARGE=1- MSLEVEL=2 57.9920 5.6E5 63.1152 3.4E4 68.0002 3.3E4 70.7468 2.8E4 80.4378 2.8E4 84.9923 5.8E4 85.0028 9.9E6 88.8288 3.0E4 96.0404 2.9E4 96.8898 3.6E4 END IONS BEGIN IONS FEATURE_ID=585 PEPMASS=223.0638 SCANS=585 RTINSECONDS=250.293 CHARGE=1- MSLEVEL=2 59.1026 2.2E3 59.8380 2.1E3 62.1368 2.3E3 79.9558 6.3E4 80.9637 6.1E4 92.2392 2.2E3 96.8882 2.5E3 105.2930 2.2E3 109.5666 2.3E3 141.4470 2.4E3 149.6655 2.3E3 179.0738 9.4E3 205.0535 9.2E3 223.0639 3.5E5 240.5475 2.2E3 END IONS BEGIN IONS FEATURE_ID=586 PEPMASS=223.0625 SCANS=586 RTINSECONDS=250.609 CHARGE=1- MSLEVEL=2 55.1691 2.1E3 79.9558 5.2E4 80.9636 5.0E4 83.8109 2.4E3 87.5011 2.4E3 96.8887 3.1E3 131.5114 2.1E3 169.6270 2.1E3 179.0727 5.0E3 205.0531 8.6E3 211.6499 2.4E3 223.0637 3.3E5 END IONS BEGIN IONS FEATURE_ID=587 PEPMASS=191.0175 SCANS=587 RTINSECONDS=251.135 CHARGE=1- MSLEVEL=2 52.1484 2.1E3 55.1350 2.4E3 56.8673 2.4E3 57.0333 1.3E4 57.6268 2.5E3 85.0278 8.0E4 85.2902 2.3E3 87.0069 1.2E5 89.0234 2.5E3 90.1414 2.4E3 96.8878 4.5E3 101.0227 1.3E4 102.9470 3.7E4 111.0070 3.6E5 117.0186 2.2E3 123.9946 2.2E3 129.0174 1.9E4 129.0536 7.0E3 146.9367 1.3E4 154.9969 5.6E3 173.0083 7.3E3 173.0451 2.5E3 184.8145 2.3E3 191.0180 3.9E4 191.0548 7.2E3 END IONS BEGIN IONS FEATURE_ID=588 PEPMASS=84.9955 SCANS=588 RTINSECONDS=252.918 CHARGE=1- MSLEVEL=2 57.9920 4.5E5 68.0002 5.6E4 85.0029 9.5E6 96.8896 5.2E4 END IONS BEGIN IONS FEATURE_ID=589 PEPMASS=84.9975 SCANS=589 RTINSECONDS=253.506 CHARGE=1- MSLEVEL=2 50.8165 2.9E4 57.5834 3.1E4 57.9919 4.3E5 67.1069 3.0E4 67.4800 2.9E4 68.0001 3.0E4 68.3034 2.6E4 83.7544 2.7E4 84.8873 2.9E4 84.9920 9.2E4 85.0028 1.1E7 85.0165 4.2E4 96.8903 3.9E4 END IONS BEGIN IONS FEATURE_ID=590 PEPMASS=85.0083 SCANS=590 RTINSECONDS=253.726 CHARGE=1- MSLEVEL=2 57.9921 5.6E5 62.4555 3.3E4 67.9999 6.8E4 75.8768 3.4E4 85.0028 1.0E7 87.0698 3.0E4 96.8888 5.2E4 END IONS BEGIN IONS FEATURE_ID=591 PEPMASS=104.0321 SCANS=591 RTINSECONDS=254.818 CHARGE=1- MSLEVEL=2 71.8559 5.0E3 78.9953 5.5E3 96.8879 1.1E4 100.9367 4.7E3 103.9186 9.7E4 104.0246 1.1E4 111.6392 5.4E3 116.9024 5.0E3 END IONS BEGIN IONS FEATURE_ID=592 PEPMASS=84.9940 SCANS=592 RTINSECONDS=254.983 CHARGE=1- MSLEVEL=2 51.5076 4.1E4 57.9921 6.0E5 59.7463 3.3E4 64.9997 3.1E4 68.0003 5.8E4 84.5301 3.2E4 84.9921 9.7E4 85.0028 1.3E7 END IONS BEGIN IONS FEATURE_ID=593 PEPMASS=104.0272 SCANS=593 RTINSECONDS=255.034 CHARGE=1- MSLEVEL=2 55.6082 6.4E3 65.2269 8.3E3 67.1394 8.2E3 68.4487 7.0E3 73.2494 7.1E3 80.0430 7.0E3 96.8867 1.8E4 96.8924 1.1E4 99.2762 8.1E3 104.0240 1.7E4 115.0822 6.5E3 END IONS BEGIN IONS FEATURE_ID=594 PEPMASS=85.0120 SCANS=594 RTINSECONDS=255.297 CHARGE=1- MSLEVEL=2 51.5076 4.1E4 57.9921 6.0E5 59.7463 3.3E4 64.9997 3.1E4 68.0003 5.8E4 84.5301 3.2E4 84.9921 9.7E4 85.0028 1.3E7 END IONS BEGIN IONS FEATURE_ID=595 PEPMASS=103.0132 SCANS=595 RTINSECONDS=256.821 CHARGE=1- MSLEVEL=2 51.5314 4.5E3 59.0065 1.1E4 59.0127 1.6E6 76.0052 2.6E4 77.0779 4.7E3 84.4787 4.1E3 96.8896 1.1E4 103.0022 6.9E4 103.0160 5.5E4 116.9317 4.0E3 END IONS BEGIN IONS FEATURE_ID=596 PEPMASS=84.9942 SCANS=596 RTINSECONDS=256.94 CHARGE=1- MSLEVEL=2 53.6385 3.4E4 57.9921 4.1E5 65.0400 3.1E4 69.9226 3.3E4 83.8985 3.1E4 85.0027 8.0E6 94.8581 3.4E4 96.8889 4.6E4 END IONS BEGIN IONS FEATURE_ID=597 PEPMASS=84.9959 SCANS=597 RTINSECONDS=257.494 CHARGE=1- MSLEVEL=2 56.8061 3.2E4 57.9920 5.6E5 68.0000 5.6E4 72.5557 3.1E4 77.0855 3.7E4 79.4386 2.9E4 85.0028 1.0E7 94.6600 2.8E4 94.6680 3.2E4 96.8880 3.9E4 101.5112 3.1E4 END IONS BEGIN IONS FEATURE_ID=598 PEPMASS=104.0295 SCANS=598 RTINSECONDS=257.596 CHARGE=1- MSLEVEL=2 50.0975 6.0E3 51.5129 6.2E3 56.0125 6.7E3 59.9761 8.0E3 60.0156 5.6E3 60.5635 5.5E3 70.2470 5.8E3 78.3194 6.7E3 78.6582 7.0E3 96.8885 1.2E4 104.0244 2.1E4 END IONS BEGIN IONS FEATURE_ID=599 PEPMASS=103.0020 SCANS=599 RTINSECONDS=258.19 CHARGE=1- MSLEVEL=2 52.0927 2.1E3 56.1492 1.9E3 57.3530 2.0E3 58.3565 2.1E3 58.7379 1.9E3 59.0126 3.1E5 69.7821 1.9E3 73.6801 1.9E3 76.0049 1.3E4 80.2439 2.1E3 86.2153 2.1E3 96.8867 3.1E3 96.8921 2.2E3 99.9082 2.1E3 103.0022 8.2E3 103.0159 3.0E4 103.0285 2.2E3 END IONS BEGIN IONS FEATURE_ID=600 PEPMASS=169.9793 SCANS=600 RTINSECONDS=258.982 CHARGE=1- MSLEVEL=2 56.9663 2.0E3 58.3425 2.0E3 60.4664 2.4E3 61.9868 1.6E4 65.5355 2.3E3 73.5419 3.5E3 85.0026 5.0E5 87.0720 2.3E3 96.8891 9.3E3 143.0359 2.5E3 151.2984 2.4E3 167.6255 2.0E3 169.8663 5.4E3 177.7048 2.1E3 END IONS BEGIN IONS FEATURE_ID=601 PEPMASS=133.0119 SCANS=601 RTINSECONDS=259.099 CHARGE=1- MSLEVEL=2 55.8678 2.0E3 61.6588 1.9E3 68.0914 1.9E3 71.0125 5.9E4 72.9917 1.2E4 75.0072 2.1E3 75.8331 1.9E3 89.0230 8.5E3 92.4768 2.0E3 96.8896 8.2E3 109.8146 2.1E3 115.0021 1.0E5 132.8664 1.2E5 133.0130 2.9E4 133.0389 2.3E3 END IONS BEGIN IONS FEATURE_ID=602 PEPMASS=313.1132 SCANS=602 RTINSECONDS=259.129 CHARGE=1- MSLEVEL=2 58.2000 2.3E3 59.0126 4.5E3 71.0127 9.5E3 73.0275 2.4E3 89.0229 2.7E3 101.0229 1.2E4 105.0547 3.2E3 113.0229 3.7E3 136.4093 2.5E3 139.4151 2.4E3 156.5683 3.1E3 157.2073 2.3E3 161.0452 1.1E4 200.8181 2.3E3 206.4032 2.6E3 236.0952 2.3E3 267.1080 5.5E4 281.3985 2.2E3 313.1159 4.6E3 END IONS BEGIN IONS FEATURE_ID=603 PEPMASS=283.0768 SCANS=603 RTINSECONDS=259.767 CHARGE=1- MSLEVEL=2 53.8286 2.2E3 61.9870 2.1E5 72.2789 2.3E3 96.8914 3.5E3 100.0958 2.2E3 105.9498 2.3E3 169.0359 2.2E3 268.4314 2.6E3 278.3577 2.5E3 END IONS BEGIN IONS FEATURE_ID=604 PEPMASS=104.0324 SCANS=604 RTINSECONDS=259.804 CHARGE=1- MSLEVEL=2 77.0082 7.5E3 96.8855 5.9E3 104.0241 1.2E4 END IONS BEGIN IONS FEATURE_ID=605 PEPMASS=84.9985 SCANS=605 RTINSECONDS=260.095 CHARGE=1- MSLEVEL=2 51.4452 2.8E4 57.9922 4.9E5 67.6841 3.1E4 84.3484 2.8E4 85.0029 9.5E6 85.0136 7.1E4 96.8861 6.9E4 96.8917 7.2E4 END IONS BEGIN IONS FEATURE_ID=606 PEPMASS=330.1039 SCANS=606 RTINSECONDS=260.221 CHARGE=1- MSLEVEL=2 56.5628 2.7E3 61.9871 3.7E5 87.3020 2.3E3 126.7654 2.8E3 158.9523 2.4E3 257.3419 2.9E3 260.3864 2.4E3 END IONS BEGIN IONS FEATURE_ID=607 PEPMASS=330.1023 SCANS=607 RTINSECONDS=260.455 CHARGE=1- MSLEVEL=2 59.8315 2.8E3 61.9869 2.1E5 61.9914 4.7E3 62.7254 2.9E3 67.2787 2.3E3 77.9243 2.1E3 100.7383 2.3E3 101.8119 2.6E3 104.3274 2.4E3 114.0094 2.4E3 165.5335 2.6E3 268.5295 2.7E3 270.4217 2.3E3 275.2952 2.4E3 316.5934 2.4E3 END IONS BEGIN IONS FEATURE_ID=608 PEPMASS=209.0478 SCANS=608 RTINSECONDS=260.904 CHARGE=1- MSLEVEL=2 52.4049 2.4E3 60.2632 2.4E3 63.4213 2.3E3 70.2012 2.1E3 71.8536 2.0E3 79.9558 5.4E4 80.9637 1.1E5 85.0283 4.9E3 89.8773 2.2E3 92.6252 2.6E3 92.9943 2.5E3 123.4338 2.3E3 165.0578 4.1E4 191.0376 3.0E4 209.0483 3.6E5 END IONS BEGIN IONS FEATURE_ID=609 PEPMASS=191.0192 SCANS=609 RTINSECONDS=261.427 CHARGE=1- MSLEVEL=2 57.0332 4.6E4 59.0127 4.1E3 67.0174 1.1E4 71.0128 3.0E3 77.0993 2.7E3 85.0279 2.9E5 87.0072 4.5E5 89.0229 4.2E3 96.8863 5.0E3 96.8922 6.5E3 100.1988 2.6E3 101.0229 1.9E4 102.2567 2.6E3 102.9471 7.0E3 103.0384 3.2E3 111.0073 1.3E6 111.0199 7.1E3 111.0229 6.7E3 115.9192 3.7E3 129.0177 6.1E4 129.0537 1.4E4 130.9970 5.1E3 147.0293 6.1E3 154.9973 1.1E4 173.0077 2.2E4 189.9516 2.9E3 191.0187 1.5E5 191.0538 1.6E4 END IONS BEGIN IONS FEATURE_ID=610 PEPMASS=191.0182 SCANS=610 RTINSECONDS=261.503 CHARGE=1- MSLEVEL=2 51.7067 2.6E3 57.0332 3.3E4 59.0123 2.8E3 59.3723 2.4E3 67.0173 6.7E3 85.0279 2.1E5 87.0072 3.3E5 88.0056 2.2E3 89.0230 4.2E3 96.8860 3.5E3 96.8921 3.6E3 101.0229 2.0E4 102.9470 6.3E3 111.0073 9.6E5 115.9192 2.7E3 117.0182 3.0E3 118.1389 2.8E3 129.0178 4.8E4 129.0536 1.5E4 130.9975 2.9E3 147.0285 7.2E3 154.9964 5.7E3 161.8613 2.5E3 173.0074 1.6E4 191.0189 1.0E5 191.0548 1.8E4 END IONS BEGIN IONS FEATURE_ID=611 PEPMASS=239.0754 SCANS=611 RTINSECONDS=261.507 CHARGE=1- MSLEVEL=2 53.0968 2.4E3 60.5988 2.3E3 62.3196 2.1E3 65.6717 2.2E3 68.9839 2.5E3 71.9769 2.2E3 73.8882 2.4E3 96.8903 4.4E3 127.8058 2.3E3 185.5511 2.2E3 193.0717 6.9E3 END IONS BEGIN IONS FEATURE_ID=612 PEPMASS=205.0339 SCANS=612 RTINSECONDS=261.611 CHARGE=1- MSLEVEL=2 50.1554 2.1E3 58.4488 2.1E3 61.9871 7.6E3 68.5892 2.1E3 81.0340 2.1E3 85.0282 2.1E3 94.8550 2.4E3 96.8877 3.5E3 97.4188 2.3E3 99.0435 3.1E4 99.9242 6.2E3 101.0227 2.2E4 111.0071 3.1E3 115.0388 1.4E4 120.9898 2.6E3 123.4608 2.3E3 125.0226 9.4E4 143.0332 1.5E4 145.0127 5.3E4 145.0753 2.3E3 148.9396 4.2E3 160.9280 2.7E3 181.0020 2.6E3 185.2270 2.3E3 187.0235 3.5E4 189.1957 2.5E3 193.0861 2.2E3 205.0344 4.4E4 END IONS BEGIN IONS FEATURE_ID=613 PEPMASS=239.0765 SCANS=613 RTINSECONDS=261.685 CHARGE=1- MSLEVEL=2 51.5090 3.1E3 77.2369 2.1E3 87.0500 2.7E3 96.8850 3.0E3 96.8908 7.2E3 101.9234 8.8E3 103.0382 3.6E3 132.4861 2.4E3 147.9169 6.9E3 151.0863 4.3E3 161.0439 2.7E3 189.5370 2.3E3 191.4595 2.6E3 193.0706 4.2E3 193.9105 4.4E3 195.0768 5.0E3 211.9204 4.9E3 239.0690 2.5E3 END IONS BEGIN IONS FEATURE_ID=614 PEPMASS=241.8994 SCANS=614 RTINSECONDS=261.827 CHARGE=1- MSLEVEL=2 61.9869 4.2E5 62.3673 2.5E4 103.9186 6.9E6 149.9115 4.1E6 149.9372 3.4E4 167.9224 1.3E5 195.8790 3.7E4 195.8824 4.3E4 195.9050 3.8E6 205.0755 3.0E4 210.8873 3.2E4 213.8858 3.8E4 213.8913 5.7E4 213.9158 2.8E6 241.8982 1.8E5 260.7255 3.2E4 END IONS BEGIN IONS FEATURE_ID=615 PEPMASS=103.9185 SCANS=615 RTINSECONDS=261.833 CHARGE=1- MSLEVEL=2 51.3306 3.5E3 51.5055 4.7E3 53.0151 3.4E3 96.8908 9.7E3 103.9186 2.9E5 104.0233 1.2E4 104.3087 3.6E3 106.5165 3.3E3 112.7884 3.8E3 112.8617 4.0E3 113.2884 3.7E3 END IONS BEGIN IONS FEATURE_ID=616 PEPMASS=195.9052 SCANS=616 RTINSECONDS=261.851 CHARGE=1- MSLEVEL=2 61.9824 4.3E3 61.9831 7.5E3 61.9870 3.8E5 87.9240 8.5E3 96.8890 1.2E4 103.8839 8.8E3 103.9043 5.9E4 103.9077 2.9E4 103.9189 7.8E6 103.9303 5.6E4 103.9332 5.6E4 103.9377 2.4E4 103.9413 8.9E3 103.9497 7.8E3 103.9574 6.0E3 107.4683 4.6E3 119.0592 4.0E3 149.9117 1.1E6 167.9223 9.4E4 195.9050 3.7E4 213.9156 6.3E4 END IONS BEGIN IONS FEATURE_ID=617 PEPMASS=242.8975 SCANS=617 RTINSECONDS=261.854 CHARGE=1- MSLEVEL=2 51.5037 2.3E3 55.1910 2.4E3 60.9636 2.5E3 61.9868 3.1E4 62.9842 3.2E3 91.9886 2.4E3 96.8871 4.1E3 96.8923 2.7E3 103.9186 1.3E5 104.9190 2.4E5 115.4626 2.2E3 122.8920 2.8E3 127.2998 3.3E3 130.8997 2.5E3 146.9944 2.2E3 149.9115 5.7E4 150.8960 3.8E3 150.9119 1.6E5 167.9226 3.2E3 168.9222 1.5E4 170.8724 2.5E3 186.3801 2.4E3 195.9052 2.3E4 196.9050 1.4E5 213.9156 3.4E4 214.9156 2.5E5 214.9461 2.8E3 242.9013 9.7E3 259.8982 2.4E3 END IONS BEGIN IONS FEATURE_ID=618 PEPMASS=239.9032 SCANS=618 RTINSECONDS=261.878 CHARGE=1- MSLEVEL=2 61.9869 5.0E4 69.9788 2.6E3 82.0572 2.3E3 96.8894 9.4E3 101.9234 7.6E5 108.7338 2.6E3 147.9163 4.8E5 165.9268 3.2E4 193.8849 3.6E3 193.9098 3.2E5 211.9205 5.6E5 239.9026 1.6E4 END IONS BEGIN IONS FEATURE_ID=619 PEPMASS=245.8929 SCANS=619 RTINSECONDS=261.896 CHARGE=1- MSLEVEL=2 50.1823 2.4E3 51.5247 2.4E3 52.5893 2.5E3 53.6302 2.4E3 57.4778 2.6E3 58.8602 2.2E3 59.0992 2.6E3 61.9806 9.2E3 61.9871 1.4E6 63.9911 1.6E4 69.4664 2.6E3 80.9630 4.8E3 96.8906 3.3E3 121.9175 8.5E3 153.9073 2.0E4 153.9329 6.4E3 194.1665 2.4E3 197.9033 3.7E3 199.9009 4.2E5 245.8941 3.9E5 END IONS BEGIN IONS FEATURE_ID=620 PEPMASS=243.8989 SCANS=620 RTINSECONDS=261.941 CHARGE=1- MSLEVEL=2 59.7626 7.1E3 61.9805 1.8E4 61.9871 3.2E6 74.1385 6.5E3 80.9629 8.7E3 96.8899 2.0E4 103.4010 6.4E3 103.9185 1.3E5 105.9166 2.2E4 105.9230 4.5E4 119.9227 2.1E4 120.4397 6.0E3 149.9120 4.9E4 151.9138 9.3E4 195.9045 2.2E4 197.9056 9.9E5 213.9160 2.4E4 215.9193 1.0E5 243.8988 8.4E5 END IONS BEGIN IONS FEATURE_ID=621 PEPMASS=241.8975 SCANS=621 RTINSECONDS=261.954 CHARGE=1- MSLEVEL=2 51.5336 2.5E3 52.1000 2.3E3 57.0677 2.5E3 60.0996 2.8E3 61.9870 9.6E4 86.4147 2.2E3 96.8900 2.8E3 103.9186 3.2E5 111.8296 2.3E3 145.0166 2.4E3 149.9117 2.1E5 167.9225 2.1E4 195.9049 1.4E5 196.1967 2.3E3 199.4791 2.8E3 213.9158 3.1E5 216.0847 2.5E3 224.9094 2.2E3 241.8980 1.2E4 END IONS BEGIN IONS FEATURE_ID=622 PEPMASS=241.8982 SCANS=622 RTINSECONDS=261.955 CHARGE=1- MSLEVEL=2 61.9869 9.5E4 62.5956 2.4E3 90.8386 2.4E3 96.8927 2.5E3 103.9187 3.5E5 121.9582 2.4E3 130.6233 2.1E3 146.7546 2.0E3 149.8941 3.3E3 149.8973 4.0E3 149.9117 2.2E5 167.9225 1.3E4 195.9051 1.6E5 213.8858 3.2E3 213.8913 4.3E3 213.9159 2.4E5 222.7294 2.8E3 241.8991 9.0E3 END IONS BEGIN IONS FEATURE_ID=623 PEPMASS=242.0498 SCANS=623 RTINSECONDS=261.964 CHARGE=1- MSLEVEL=2 50.5924 2.4E3 54.6965 2.3E3 60.9057 2.2E3 61.9870 1.6E5 62.0769 2.3E3 96.8914 3.2E3 103.9186 3.6E5 113.7167 2.1E3 128.1373 2.7E3 149.9115 2.0E5 155.2538 2.7E3 167.9218 2.1E4 181.1834 2.6E3 195.9051 1.2E5 213.9157 2.6E5 213.9413 3.8E3 213.9455 3.1E3 216.3368 2.3E3 217.3939 2.3E3 241.8997 5.7E3 252.1152 2.7E3 END IONS BEGIN IONS FEATURE_ID=624 PEPMASS=146.9640 SCANS=624 RTINSECONDS=261.997 CHARGE=1- MSLEVEL=2 51.5139 2.7E3 61.9871 4.3E5 64.9062 2.0E3 96.8895 4.0E3 116.9922 2.2E3 141.0119 2.4E3 146.9640 2.0E3 156.3178 2.0E3 END IONS BEGIN IONS FEATURE_ID=625 PEPMASS=85.9992 SCANS=625 RTINSECONDS=262.033 CHARGE=1- MSLEVEL=2 57.9923 4.0E3 58.9953 4.5E3 65.3602 2.0E3 76.9730 1.7E3 79.8469 2.0E3 86.0000 4.6E4 86.0063 1.4E5 86.0127 3.4E3 96.8871 2.9E3 100.8196 2.1E3 END IONS BEGIN IONS FEATURE_ID=626 PEPMASS=264.9133 SCANS=626 RTINSECONDS=262.052 CHARGE=1- MSLEVEL=2 50.6561 2.6E3 54.2296 2.4E3 59.8183 2.3E3 61.9869 3.5E4 65.7682 2.3E3 85.0027 4.4E4 96.8861 4.4E3 96.8915 5.6E3 103.9186 3.3E5 104.9264 1.0E5 118.0306 2.5E3 128.9374 7.7E3 148.9400 2.4E4 149.9116 1.7E5 150.9191 1.4E4 160.9279 1.8E4 167.9213 1.3E4 168.9300 2.0E5 179.9101 5.7E3 195.9051 9.8E4 196.9123 1.3E4 197.9205 1.1E4 213.9157 2.0E5 218.9220 6.7E3 236.9312 3.2E4 242.5412 2.9E3 264.9149 9.9E3 END IONS BEGIN IONS FEATURE_ID=627 PEPMASS=240.9015 SCANS=627 RTINSECONDS=262.062 CHARGE=1- MSLEVEL=2 54.3282 2.1E3 56.8220 2.3E3 61.7167 2.5E3 61.9870 2.6E5 73.6945 3.0E3 96.8912 5.4E3 101.9232 4.9E3 102.9218 2.1E4 103.9186 6.8E3 118.9166 1.8E5 121.7080 2.5E3 134.4126 2.5E3 148.9142 1.6E4 149.9120 3.0E3 164.9091 1.2E4 194.9082 1.6E4 212.9189 9.0E4 213.9158 3.5E3 240.2117 2.3E3 240.9016 1.2E5 END IONS BEGIN IONS FEATURE_ID=628 PEPMASS=287.9293 SCANS=628 RTINSECONDS=262.079 CHARGE=1- MSLEVEL=2 51.5133 2.5E3 57.5040 2.3E3 59.9487 2.0E3 61.9869 1.8E4 66.4048 2.3E3 68.9998 1.9E3 73.3607 2.3E3 76.4720 2.4E3 80.4603 2.2E3 83.9950 3.9E3 85.0027 4.1E4 87.9243 4.1E3 91.0028 2.5E3 96.8858 3.4E3 96.8912 5.7E3 103.9185 4.2E4 104.9263 7.6E4 105.9341 4.1E3 111.5383 2.4E3 115.9425 1.2E4 117.9217 5.5E3 123.9449 8.6E3 128.9284 2.2E3 128.9379 1.1E4 129.9213 3.7E3 140.5360 2.3E3 144.9342 2.3E3 148.9403 2.0E4 150.9205 1.0E4 152.9353 7.9E3 160.9275 1.7E4 167.0694 2.7E3 168.9301 1.4E5 191.9464 6.8E3 218.9223 7.7E3 219.9287 6.9E3 220.9373 7.0E3 236.9321 3.8E4 259.9482 4.1E3 287.9319 5.2E3 END IONS BEGIN IONS FEATURE_ID=629 PEPMASS=248.8918 SCANS=629 RTINSECONDS=262.093 CHARGE=1- MSLEVEL=2 59.7077 2.1E3 60.3214 2.2E3 61.8845 2.1E3 61.9871 2.6E5 84.9370 6.2E3 96.8884 3.0E3 99.9241 3.5E4 100.9324 5.8E3 101.9396 2.2E3 114.8008 2.1E3 114.9479 7.9E3 115.9192 2.0E4 116.9273 9.5E3 124.3886 2.2E3 124.8504 2.3E3 135.7812 2.2E3 140.9113 5.5E3 143.2656 2.3E3 158.9374 2.2E4 168.9954 3.6E3 170.7013 2.5E3 186.9048 5.6E4 202.9285 5.3E3 204.9326 7.2E3 208.0439 2.2E3 217.6099 2.1E3 248.8946 8.5E3 END IONS BEGIN IONS FEATURE_ID=630 PEPMASS=109.9975 SCANS=630 RTINSECONDS=262.185 CHARGE=1- MSLEVEL=2 58.5504 2.1E3 64.0053 5.0E4 79.9999 4.2E3 95.4482 2.3E3 96.8854 2.5E3 96.8907 3.8E3 98.3944 1.9E3 104.3763 2.6E3 109.9978 7.0E4 110.0343 5.5E3 115.0764 2.0E3 117.9520 1.9E3 END IONS BEGIN IONS FEATURE_ID=631 PEPMASS=187.8584 SCANS=631 RTINSECONDS=262.258 CHARGE=1- MSLEVEL=2 207.1477 2.3E3 311.4578 3.3E3 391.5608 2.3E3 397.5794 2.5E3 414.4096 2.5E3 647.8411 2.7E3 958.1759 2.4E3 1470.7070 2.8E3 1621.4818 3.1E3 1806.6565 2.8E3 2290.6560 3.5E3 END IONS BEGIN IONS FEATURE_ID=632 PEPMASS=214.8793 SCANS=632 RTINSECONDS=262.45 CHARGE=1- MSLEVEL=2 60.0440 2.2E3 61.6784 2.1E3 61.9868 3.7E4 64.0091 2.1E3 65.9135 2.1E3 73.5103 2.9E3 89.2701 2.1E3 96.8848 2.2E3 96.8904 8.4E3 97.8111 2.5E3 98.8578 2.2E3 99.8303 2.3E3 122.8926 3.6E5 168.8854 8.9E4 186.8967 4.0E5 214.8783 1.3E4 215.0113 3.1E3 END IONS BEGIN IONS FEATURE_ID=633 PEPMASS=104.0274 SCANS=633 RTINSECONDS=263.844 CHARGE=1- MSLEVEL=2 51.5227 3.9E3 96.8897 5.1E3 103.9187 8.9E4 104.0243 8.8E3 END IONS BEGIN IONS FEATURE_ID=634 PEPMASS=84.9944 SCANS=634 RTINSECONDS=263.863 CHARGE=1- MSLEVEL=2 57.9920 5.3E5 57.9952 4.3E4 68.0001 6.5E4 85.0028 1.1E7 87.0542 3.4E4 96.8536 3.3E4 96.8866 4.3E4 104.8877 3.0E4 END IONS BEGIN IONS FEATURE_ID=635 PEPMASS=85.0059 SCANS=635 RTINSECONDS=264.044 CHARGE=1- MSLEVEL=2 57.9920 3.5E5 68.0000 3.3E4 85.0028 6.7E6 96.8898 2.7E4 END IONS BEGIN IONS FEATURE_ID=636 PEPMASS=104.0320 SCANS=636 RTINSECONDS=264.794 CHARGE=1- MSLEVEL=2 62.8055 5.2E3 84.2668 5.6E3 87.0737 5.5E3 95.8895 5.8E3 96.8888 8.4E3 104.0238 9.9E3 END IONS BEGIN IONS FEATURE_ID=637 PEPMASS=503.0811 SCANS=637 RTINSECONDS=264.896 CHARGE=1- MSLEVEL=2 54.8314 2.4E3 66.3136 3.1E3 66.5258 2.4E3 69.0332 1.5E4 89.5386 2.7E3 108.0201 8.3E3 123.0433 5.1E4 141.0175 8.6E3 152.0094 9.8E3 167.0334 4.0E5 185.0088 6.4E3 185.9133 2.8E3 224.7749 2.8E3 335.0422 2.0E4 353.0518 2.2E4 437.3908 2.9E3 503.0840 2.2E4 END IONS BEGIN IONS FEATURE_ID=638 PEPMASS=84.9976 SCANS=638 RTINSECONDS=265.251 CHARGE=1- MSLEVEL=2 57.9920 5.2E5 63.7883 2.9E4 68.0003 2.9E4 70.0482 2.8E4 84.9921 7.7E4 85.0028 1.0E7 88.6820 2.9E4 96.8858 3.6E4 96.8912 3.6E4 END IONS BEGIN IONS FEATURE_ID=639 PEPMASS=310.9455 SCANS=639 RTINSECONDS=265.749 CHARGE=1- MSLEVEL=2 57.3599 2.2E3 58.3628 2.3E3 58.6549 2.4E3 76.9091 2.4E3 83.9946 1.4E4 85.0026 4.5E4 86.4475 2.3E3 94.2175 2.4E3 102.9348 3.6E3 103.9186 5.4E3 104.9263 3.4E3 105.9344 7.5E3 111.9347 3.9E3 115.9425 2.2E4 123.9446 1.7E4 128.9377 5.1E3 153.1685 2.9E3 173.9364 3.7E3 183.9447 5.0E3 191.9467 1.3E4 242.9459 2.8E3 243.9523 2.7E3 259.9485 1.4E4 288.1746 2.8E3 310.9475 3.2E3 311.1691 2.5E4 END IONS BEGIN IONS FEATURE_ID=640 PEPMASS=157.0349 SCANS=640 RTINSECONDS=266.33 CHARGE=1- MSLEVEL=2 57.0330 3.2E3 59.0234 1.1E4 68.8404 2.1E3 70.0264 2.5E3 71.0235 4.3E4 72.0073 4.7E3 74.8005 2.3E3 97.0027 4.7E5 102.0076 1.1E4 114.0293 4.0E5 140.0085 2.0E4 157.0357 3.2E4 157.0505 6.8E3 157.1219 5.0E3 176.6004 2.3E3 END IONS BEGIN IONS FEATURE_ID=641 PEPMASS=85.0120 SCANS=641 RTINSECONDS=266.425 CHARGE=1- MSLEVEL=2 52.6838 3.9E4 57.9920 7.0E5 60.4658 4.3E4 61.1478 3.1E4 78.1566 3.6E4 84.9891 5.5E4 85.0028 1.3E7 85.0135 8.3E4 86.6377 3.8E4 96.8887 4.6E4 101.4990 3.6E4 END IONS BEGIN IONS FEATURE_ID=642 PEPMASS=104.0293 SCANS=642 RTINSECONDS=267.887 CHARGE=1- MSLEVEL=2 53.9997 3.8E3 62.6204 3.9E3 65.1892 4.0E3 67.2778 4.1E3 67.7559 3.9E3 68.5970 4.5E3 72.6378 5.8E3 83.9702 4.0E3 96.8881 1.8E4 96.8938 8.3E3 104.0239 1.3E4 END IONS BEGIN IONS FEATURE_ID=643 PEPMASS=104.0272 SCANS=643 RTINSECONDS=268.597 CHARGE=1- MSLEVEL=2 51.5130 5.8E3 56.0226 6.1E3 96.8885 1.9E4 103.9187 1.8E5 104.0249 9.3E3 END IONS BEGIN IONS FEATURE_ID=644 PEPMASS=242.0499 SCANS=644 RTINSECONDS=268.645 CHARGE=1- MSLEVEL=2 61.9869 1.3E5 61.9910 4.6E3 62.9986 2.1E3 64.4107 2.2E3 68.7432 2.8E3 103.7155 2.1E3 103.9188 3.0E3 125.2178 2.2E3 149.9122 3.4E3 151.5010 2.5E3 244.0687 2.6E3 END IONS BEGIN IONS FEATURE_ID=645 PEPMASS=449.1068 SCANS=645 RTINSECONDS=268.715 CHARGE=1- MSLEVEL=2 50.9705 2.4E3 59.0127 2.8E3 80.9510 2.7E3 82.1568 3.6E3 83.7899 2.6E3 96.8882 3.7E3 103.2177 2.9E3 125.0227 1.5E4 151.0019 1.3E4 152.0105 3.1E4 153.0182 9.4E3 166.1651 2.9E3 178.9970 2.1E4 180.0051 6.7E3 181.0131 1.4E4 183.0290 1.2E4 193.0132 8.1E3 199.5486 2.9E3 207.0300 4.0E3 217.6838 2.7E3 225.0556 9.0E3 241.0503 5.7E3 243.0664 4.5E3 259.0603 3.9E4 263.0499 2.8E3 269.0454 2.6E5 287.0567 1.9E4 343.0665 1.5E4 449.1100 3.2E5 END IONS BEGIN IONS FEATURE_ID=646 PEPMASS=271.0076 SCANS=646 RTINSECONDS=268.886 CHARGE=1- MSLEVEL=2 51.5421 2.5E3 56.4756 2.7E3 60.4897 2.4E3 60.9502 2.2E3 63.1466 2.4E3 73.1185 2.4E3 73.5042 2.3E3 78.3173 2.0E3 81.0332 2.2E4 83.0486 3.2E3 87.1031 2.4E3 88.3954 2.3E3 93.0334 5.7E3 95.0126 6.6E3 96.8898 3.3E3 107.0122 6.6E3 109.0278 1.9E4 125.0229 8.6E3 139.0027 5.0E3 153.0183 5.4E3 166.9969 4.4E3 199.0240 1.4E4 227.0189 2.6E4 236.3646 2.3E3 END IONS BEGIN IONS FEATURE_ID=647 PEPMASS=179.0536 SCANS=647 RTINSECONDS=269.424 CHARGE=1- MSLEVEL=2 56.8533 2.4E3 58.0046 1.9E3 59.0123 1.2E5 71.0123 1.0E5 72.6495 2.6E3 76.4886 2.2E3 83.0123 3.0E3 85.0279 7.3E3 89.0227 5.1E4 95.0122 4.4E3 96.8882 1.7E4 101.0229 7.5E3 110.4815 2.2E3 113.0231 7.1E3 184.7259 2.4E3 190.7340 2.3E3 END IONS BEGIN IONS FEATURE_ID=648 PEPMASS=104.0320 SCANS=648 RTINSECONDS=270.836 CHARGE=1- MSLEVEL=2 51.5220 5.5E3 79.1144 5.9E3 79.2992 5.9E3 100.5188 5.7E3 104.0241 9.1E3 114.9105 4.9E3 123.8589 5.7E3 END IONS BEGIN IONS FEATURE_ID=649 PEPMASS=85.0263 SCANS=649 RTINSECONDS=271.118 CHARGE=1- MSLEVEL=2 51.5588 2.2E4 57.9920 5.5E5 68.0003 4.3E4 85.0029 1.2E7 85.0135 6.8E4 85.0275 3.7E4 96.8892 3.9E4 END IONS BEGIN IONS FEATURE_ID=650 PEPMASS=129.0180 SCANS=650 RTINSECONDS=271.14 CHARGE=1- MSLEVEL=2 53.1005 2.3E3 85.0279 3.2E5 88.0347 2.2E3 96.8878 4.8E3 96.8940 2.6E3 102.0085 2.7E3 102.0212 2.4E3 111.2897 2.1E3 120.3346 2.1E3 129.0170 1.4E4 129.0321 2.4E3 END IONS BEGIN IONS FEATURE_ID=651 PEPMASS=111.0068 SCANS=651 RTINSECONDS=271.142 CHARGE=1- MSLEVEL=2 50.9636 2.1E3 57.9410 1.9E3 59.1996 1.7E3 65.9969 4.1E3 67.0172 3.5E4 96.8871 2.6E3 111.0070 8.5E4 END IONS BEGIN IONS FEATURE_ID=652 PEPMASS=173.0087 SCANS=652 RTINSECONDS=271.148 CHARGE=1- MSLEVEL=2 67.0176 4.2E3 85.0174 1.7E4 85.0195 2.0E4 85.0280 2.9E6 85.0366 1.7E4 85.0387 2.3E4 85.0417 5.1E3 85.0448 4.3E3 96.8873 4.5E3 111.0070 2.7E5 111.0167 5.3E3 111.0179 3.7E3 114.2938 2.7E3 129.0177 4.4E5 129.0345 4.2E3 129.0368 2.9E3 173.0081 4.2E4 END IONS BEGIN IONS FEATURE_ID=653 PEPMASS=174.0101 SCANS=653 RTINSECONDS=271.162 CHARGE=1- MSLEVEL=2 50.2289 2.0E3 62.8578 2.1E3 63.0364 2.4E3 68.0208 2.6E3 75.2584 2.5E3 85.0278 2.0E5 86.0311 3.7E5 94.4432 2.3E3 96.8874 2.9E3 99.9240 5.2E3 100.6968 2.2E3 111.0068 9.7E3 112.0104 4.6E4 115.9189 3.5E3 116.9270 4.1E3 129.0174 1.7E4 130.0207 9.1E4 156.1661 2.4E3 174.0116 7.1E3 184.0497 2.4E3 END IONS BEGIN IONS FEATURE_ID=654 PEPMASS=85.0055 SCANS=654 RTINSECONDS=272.067 CHARGE=1- MSLEVEL=2 57.9921 5.1E5 63.7284 2.9E4 67.9999 6.6E4 68.0753 3.0E4 85.0028 9.8E6 94.0552 3.1E4 96.8906 5.7E4 103.2383 3.0E4 END IONS BEGIN IONS FEATURE_ID=655 PEPMASS=85.0118 SCANS=655 RTINSECONDS=272.179 CHARGE=1- MSLEVEL=2 52.9736 3.7E4 53.0821 3.0E4 57.9920 4.6E5 60.1516 3.3E4 68.0002 4.2E4 82.9631 3.6E4 85.0028 8.9E6 103.8788 3.3E4 END IONS BEGIN IONS FEATURE_ID=656 PEPMASS=84.9942 SCANS=656 RTINSECONDS=273.192 CHARGE=1- MSLEVEL=2 51.7355 3.1E4 52.8861 3.7E4 57.9920 5.7E5 59.5799 3.3E4 59.9008 3.3E4 68.0006 4.3E4 76.7187 3.4E4 76.8240 3.1E4 85.0028 1.2E7 END IONS BEGIN IONS FEATURE_ID=657 PEPMASS=84.9957 SCANS=657 RTINSECONDS=273.207 CHARGE=1- MSLEVEL=2 51.7997 4.2E4 52.8446 3.2E4 57.9920 5.5E5 59.3397 3.2E4 63.3480 3.1E4 85.0028 9.7E6 96.8888 6.7E4 99.0167 3.7E4 END IONS BEGIN IONS FEATURE_ID=658 PEPMASS=84.9977 SCANS=658 RTINSECONDS=273.621 CHARGE=1- MSLEVEL=2 57.9920 4.6E5 64.0781 3.4E4 68.0003 3.8E4 69.9649 3.3E4 74.0358 3.1E4 85.0027 9.6E6 96.3997 3.4E4 96.8893 7.6E4 END IONS BEGIN IONS FEATURE_ID=659 PEPMASS=191.0179 SCANS=659 RTINSECONDS=274.909 CHARGE=1- MSLEVEL=2 51.5266 3.2E3 51.9416 2.3E3 57.0332 1.2E4 59.0128 3.1E3 62.4089 2.3E3 85.0279 9.1E4 86.1995 2.0E3 87.0072 1.2E5 89.0230 7.3E3 92.3015 2.0E3 96.8856 2.2E3 96.8916 3.3E3 101.0230 1.7E4 102.9473 2.5E4 103.0388 2.2E3 111.0072 3.8E5 111.5016 2.4E3 129.0177 2.0E4 129.0540 1.5E4 142.2965 2.2E3 142.9910 2.2E3 146.5084 2.4E3 146.9366 4.2E3 147.0290 3.9E3 153.5897 2.1E3 154.9965 3.4E3 164.4018 2.3E3 173.0079 7.3E3 173.0449 2.4E3 191.0190 4.3E4 191.0543 1.4E4 END IONS BEGIN IONS FEATURE_ID=660 PEPMASS=84.9976 SCANS=660 RTINSECONDS=274.933 CHARGE=1- MSLEVEL=2 57.9921 6.3E5 59.1034 3.4E4 63.0373 3.6E4 67.8803 3.3E4 67.9997 4.3E4 70.1284 4.1E4 74.0610 3.6E4 83.7601 3.5E4 85.0028 1.2E7 85.0135 6.7E4 96.8899 5.9E4 END IONS BEGIN IONS FEATURE_ID=661 PEPMASS=104.0272 SCANS=661 RTINSECONDS=275.38 CHARGE=1- MSLEVEL=2 58.7543 5.8E3 72.5986 7.9E3 72.6022 9.5E3 73.8314 5.0E3 79.6311 5.3E3 92.9427 6.0E3 96.8836 1.0E4 96.8893 2.9E4 96.8949 9.7E3 100.2813 5.5E3 104.0245 1.3E4 119.3032 5.1E3 END IONS BEGIN IONS FEATURE_ID=662 PEPMASS=104.0331 SCANS=662 RTINSECONDS=275.55 CHARGE=1- MSLEVEL=2 71.6911 5.1E3 73.2608 4.6E3 79.6086 6.2E3 80.3588 6.3E3 87.3365 5.3E3 88.9080 4.8E3 104.0243 1.1E4 117.5278 4.9E3 119.2789 6.0E3 END IONS BEGIN IONS FEATURE_ID=663 PEPMASS=191.0190 SCANS=663 RTINSECONDS=275.558 CHARGE=1- MSLEVEL=2 51.2091 2.1E3 57.0335 1.7E4 67.0174 3.3E3 83.7506 2.2E3 85.0278 1.2E5 87.0071 1.8E5 87.9230 3.4E3 89.0228 8.4E3 96.0373 2.4E3 96.8884 2.9E3 101.0229 1.9E4 102.9471 4.0E4 111.0071 5.2E5 129.0173 2.6E4 129.0539 1.2E4 130.9958 2.6E3 146.9373 6.7E3 147.0287 2.8E3 154.9965 4.5E3 170.9864 3.2E3 173.0078 1.1E4 173.0443 4.7E3 180.3346 2.7E3 190.9886 2.3E3 191.0184 7.0E4 191.0542 1.8E4 END IONS BEGIN IONS FEATURE_ID=664 PEPMASS=104.0296 SCANS=664 RTINSECONDS=278.21 CHARGE=1- MSLEVEL=2 56.0735 6.5E3 65.4606 7.7E3 74.4425 7.7E3 83.6425 8.7E3 96.8025 7.3E3 96.8887 2.1E4 102.0023 7.3E3 104.0237 1.7E4 106.9171 6.9E3 119.8374 7.3E3 END IONS BEGIN IONS FEATURE_ID=665 PEPMASS=167.0182 SCANS=665 RTINSECONDS=278.294 CHARGE=1- MSLEVEL=2 69.0080 1.1E4 70.5507 2.4E3 78.1034 2.0E3 96.0185 3.0E4 96.8870 3.1E3 97.0027 3.9E3 98.0355 2.6E3 101.7888 2.2E3 115.4337 2.5E3 123.0306 2.4E3 124.0134 1.5E5 140.0239 4.1E3 142.0241 1.1E4 159.5440 2.4E3 167.0199 3.7E5 END IONS BEGIN IONS FEATURE_ID=666 PEPMASS=103.0131 SCANS=666 RTINSECONDS=279.995 CHARGE=1- MSLEVEL=2 59.0030 3.6E3 59.0065 1.7E4 59.0077 1.1E4 59.0127 2.3E6 59.0176 1.7E4 59.0187 1.2E4 59.0276 2.9E3 76.0052 1.8E4 77.0780 6.0E3 87.5049 2.7E3 96.8890 3.5E3 103.0022 8.5E4 103.0161 4.4E4 120.6841 2.4E3 END IONS BEGIN IONS FEATURE_ID=667 PEPMASS=84.9954 SCANS=667 RTINSECONDS=280.354 CHARGE=1- MSLEVEL=2 57.9921 5.4E5 59.1802 3.6E4 68.0000 3.8E4 85.0028 9.7E6 96.8875 3.5E4 END IONS BEGIN IONS FEATURE_ID=668 PEPMASS=193.0713 SCANS=668 RTINSECONDS=280.455 CHARGE=1- MSLEVEL=2 51.5121 2.9E3 57.0335 2.9E3 59.0124 2.0E4 69.0330 8.5E3 71.0123 1.8E4 72.8798 2.2E3 72.9912 3.9E3 73.0278 2.7E4 75.0070 2.5E3 83.0120 9.6E3 85.0026 8.3E3 85.0279 2.8E4 85.9994 3.5E3 87.0072 4.4E4 89.0229 2.4E3 89.5654 2.5E3 95.0122 3.0E3 97.0281 1.0E4 99.0071 2.1E4 101.0229 5.7E4 111.0070 4.8E3 113.0226 1.3E4 115.0382 3.8E3 117.0177 4.7E3 123.0072 2.7E3 125.0229 1.0E4 141.0180 3.1E4 155.0329 1.0E4 159.0286 4.1E3 161.0442 1.2E5 175.0596 9.3E3 186.5438 2.2E3 191.0552 2.7E3 193.0707 1.4E5 196.9588 2.3E3 END IONS BEGIN IONS FEATURE_ID=669 PEPMASS=84.9942 SCANS=669 RTINSECONDS=280.498 CHARGE=1- MSLEVEL=2 50.5986 3.3E4 51.5146 2.8E4 51.5171 4.1E4 57.9920 6.1E5 59.9906 3.6E4 67.7440 3.8E4 68.0004 4.0E4 77.5047 3.4E4 84.9922 7.5E4 85.0028 1.2E7 85.0135 7.4E4 93.9646 3.7E4 96.8875 4.7E4 END IONS BEGIN IONS FEATURE_ID=670 PEPMASS=193.0698 SCANS=670 RTINSECONDS=280.698 CHARGE=1- MSLEVEL=2 52.7180 2.2E3 55.0175 2.4E3 57.0332 3.5E3 59.0126 1.6E4 69.0331 4.6E3 71.0124 1.8E4 72.9914 2.7E3 73.0276 1.8E4 75.1873 2.4E3 81.0328 2.2E3 83.0123 1.1E4 83.0431 2.6E3 85.0027 5.8E4 85.0279 2.6E4 87.0071 4.3E4 95.0123 3.5E3 96.8867 3.0E3 96.8921 3.6E3 97.0279 1.2E4 99.0070 1.9E4 100.3416 2.1E3 101.0228 5.5E4 111.0067 5.5E3 113.0227 1.2E4 115.0383 3.5E3 117.0175 2.8E3 124.0147 2.5E3 125.0224 8.4E3 141.0180 3.4E4 142.0253 3.8E3 155.0340 7.8E3 157.0498 2.6E3 159.0285 5.8E3 161.0440 1.2E5 175.0591 8.4E3 191.0564 4.5E3 193.0706 1.5E5 198.6979 3.0E3 END IONS BEGIN IONS FEATURE_ID=671 PEPMASS=239.0765 SCANS=671 RTINSECONDS=280.748 CHARGE=1- MSLEVEL=2 50.5003 2.1E3 50.6651 2.5E3 60.7720 2.4E3 61.1184 2.1E3 77.5280 2.1E3 81.7944 2.6E3 84.1724 2.1E3 87.0073 2.4E3 95.4087 2.2E3 96.8852 2.2E3 96.8912 2.9E3 101.0228 3.2E3 109.8989 2.2E3 130.9534 2.2E3 142.4738 2.2E3 161.0445 8.7E3 193.0710 4.4E4 202.1254 2.2E3 208.3633 2.2E3 230.9122 2.4E3 END IONS BEGIN IONS FEATURE_ID=672 PEPMASS=239.0749 SCANS=672 RTINSECONDS=280.759 CHARGE=1- MSLEVEL=2 50.0640 2.6E3 51.1437 2.4E3 54.1646 2.3E3 56.0330 2.2E3 63.0327 2.1E3 73.5512 2.5E3 77.3751 2.3E3 91.9939 2.4E3 96.8912 2.8E3 101.0233 2.7E3 110.9046 2.8E3 111.9588 2.3E3 134.0165 2.6E3 161.0444 5.6E3 179.6368 2.6E3 193.0704 4.3E4 END IONS BEGIN IONS FEATURE_ID=673 PEPMASS=84.9935 SCANS=673 RTINSECONDS=281.127 CHARGE=1- MSLEVEL=2 57.9921 4.9E5 65.3467 3.6E4 67.9999 4.7E4 73.2542 4.0E4 85.0028 9.7E6 85.0165 4.3E4 86.4894 3.6E4 96.8883 3.5E4 104.1613 3.4E4 END IONS BEGIN IONS FEATURE_ID=674 PEPMASS=105.0208 SCANS=674 RTINSECONDS=282.022 CHARGE=1- MSLEVEL=2 51.2885 1.9E3 53.1216 2.2E3 56.0727 2.1E3 56.4594 1.8E3 60.1000 1.8E3 61.4958 1.9E3 79.9734 2.5E3 87.0578 2.6E3 96.8892 4.3E3 END IONS BEGIN IONS FEATURE_ID=675 PEPMASS=84.9955 SCANS=675 RTINSECONDS=282.805 CHARGE=1- MSLEVEL=2 56.8642 2.7E4 57.9921 3.5E5 72.0441 3.8E4 85.0028 8.4E6 87.4661 3.5E4 91.1692 3.0E4 96.6211 2.9E4 END IONS BEGIN IONS FEATURE_ID=676 PEPMASS=84.9975 SCANS=676 RTINSECONDS=283.737 CHARGE=1- MSLEVEL=2 51.5129 4.9E4 57.7812 4.0E4 57.9920 5.4E5 67.9998 4.0E4 81.3701 3.4E4 84.9922 5.8E4 85.0028 1.1E7 91.9830 3.5E4 96.8897 5.7E4 END IONS BEGIN IONS FEATURE_ID=677 PEPMASS=104.0272 SCANS=677 RTINSECONDS=283.836 CHARGE=1- MSLEVEL=2 58.9554 5.7E3 68.0865 5.3E3 74.3861 5.2E3 74.4074 5.2E3 84.2584 5.7E3 96.8879 1.0E4 104.0241 1.7E4 END IONS BEGIN IONS FEATURE_ID=678 PEPMASS=104.0318 SCANS=678 RTINSECONDS=284.284 CHARGE=1- MSLEVEL=2 58.0691 5.7E3 69.0569 4.7E3 72.9213 5.9E3 83.6148 5.7E3 96.8869 1.8E4 96.8928 1.4E4 103.6776 6.2E3 104.0248 7.5E3 104.6425 7.0E3 110.4625 5.6E3 END IONS BEGIN IONS FEATURE_ID=679 PEPMASS=85.0119 SCANS=679 RTINSECONDS=284.457 CHARGE=1- MSLEVEL=2 57.9921 4.1E5 67.9999 2.7E4 69.0563 2.5E4 71.3467 2.6E4 72.9508 5.6E4 85.0028 7.2E6 96.8860 1.0E5 96.8927 6.3E4 END IONS BEGIN IONS FEATURE_ID=680 PEPMASS=85.0000 SCANS=680 RTINSECONDS=285.49 CHARGE=1- MSLEVEL=2 57.9920 4.3E5 65.9924 3.0E4 68.0002 4.4E4 72.2504 2.9E4 85.0027 8.5E6 END IONS BEGIN IONS FEATURE_ID=681 PEPMASS=104.0324 SCANS=681 RTINSECONDS=286.596 CHARGE=1- MSLEVEL=2 89.0280 5.1E3 96.8881 2.8E4 101.4711 4.8E3 104.0239 1.1E4 104.5944 4.8E3 END IONS BEGIN IONS FEATURE_ID=682 PEPMASS=146.9242 SCANS=682 RTINSECONDS=286.909 CHARGE=1- MSLEVEL=2 58.2088 1.9E3 59.7971 2.0E3 68.7457 2.1E3 73.6346 2.2E3 81.1970 2.1E3 81.4368 1.9E3 94.7080 2.2E3 102.3341 2.3E3 125.3354 2.3E3 146.9246 1.1E5 END IONS BEGIN IONS FEATURE_ID=683 PEPMASS=192.9960 SCANS=683 RTINSECONDS=287.332 CHARGE=1- MSLEVEL=2 51.5076 2.3E3 53.5361 2.2E3 55.4528 2.3E3 63.3912 2.1E3 81.3611 2.2E3 85.0028 6.6E5 90.9319 3.7E3 96.8900 3.0E3 144.1710 2.1E3 176.4911 2.3E3 193.0857 4.8E3 END IONS BEGIN IONS FEATURE_ID=684 PEPMASS=103.0158 SCANS=684 RTINSECONDS=289.071 CHARGE=1- MSLEVEL=2 59.0125 1.2E5 61.5139 2.0E3 72.7235 5.2E3 76.0050 2.1E4 83.8810 2.1E3 90.7012 2.0E3 96.8847 4.7E3 96.8916 1.1E4 103.0160 4.5E4 103.0280 2.0E3 END IONS BEGIN IONS FEATURE_ID=685 PEPMASS=104.0275 SCANS=685 RTINSECONDS=289.79 CHARGE=1- MSLEVEL=2 51.5079 7.1E3 57.2621 7.2E3 62.1569 7.5E3 68.2505 6.8E3 71.9414 7.1E3 96.8871 1.2E4 98.7517 6.8E3 99.2200 7.7E3 104.0237 1.5E4 107.9638 6.6E3 124.6734 6.4E3 END IONS BEGIN IONS FEATURE_ID=686 PEPMASS=129.9602 SCANS=686 RTINSECONDS=289.808 CHARGE=1- MSLEVEL=2 51.5213 2.0E3 51.6846 2.1E3 60.4650 2.0E3 79.1298 2.1E3 80.7705 2.1E3 89.5958 1.9E3 96.8872 2.5E3 103.0285 1.1E4 106.3221 2.0E3 115.2040 2.1E3 129.0319 2.1E3 130.0394 5.4E4 140.2450 2.3E3 END IONS BEGIN IONS FEATURE_ID=687 PEPMASS=632.7269 SCANS=687 RTINSECONDS=289.923 CHARGE=1- MSLEVEL=2 54.2563 3.1E3 57.0336 3.1E3 60.4786 3.6E3 60.9705 2.6E3 63.9853 2.9E3 64.4643 2.7E3 66.9939 2.7E3 69.5814 3.2E3 78.9562 2.7E3 96.8909 3.4E3 128.9577 1.5E5 146.6015 2.7E3 162.1217 3.1E3 212.9208 1.1E4 296.8829 5.3E4 333.1675 3.4E3 376.9239 3.8E3 380.8427 1.5E4 455.8618 3.3E3 END IONS BEGIN IONS FEATURE_ID=688 PEPMASS=212.9202 SCANS=688 RTINSECONDS=289.982 CHARGE=1- MSLEVEL=2 56.6416 2.0E3 81.1560 2.2E3 96.8867 3.1E3 96.8918 3.1E3 128.9576 1.5E5 128.9693 3.8E3 128.9708 2.0E3 221.9248 2.6E3 END IONS BEGIN IONS FEATURE_ID=689 PEPMASS=296.8827 SCANS=689 RTINSECONDS=289.999 CHARGE=1- MSLEVEL=2 50.5941 3.7E3 53.9877 3.9E3 65.6641 3.0E3 73.4253 3.2E3 96.8889 7.1E3 128.9579 8.3E5 169.9294 3.1E3 186.6925 3.3E3 255.0485 4.5E3 END IONS BEGIN IONS FEATURE_ID=690 PEPMASS=380.8429 SCANS=690 RTINSECONDS=289.999 CHARGE=1- MSLEVEL=2 50.3062 2.5E3 52.7460 2.5E3 60.3838 2.4E3 72.4640 6.4E3 89.8928 2.7E3 96.8848 5.5E3 96.8915 1.6E4 113.2137 2.9E3 113.7511 3.1E3 128.9578 5.9E5 128.9748 3.8E3 128.9771 3.2E3 130.5284 2.3E3 145.0059 3.0E3 171.2623 2.5E3 212.9198 3.2E4 280.0108 3.0E3 296.8801 4.2E3 297.2733 2.6E3 308.7443 2.8E3 END IONS BEGIN IONS FEATURE_ID=691 PEPMASS=464.8034 SCANS=691 RTINSECONDS=290.011 CHARGE=1- MSLEVEL=2 52.7870 2.4E3 55.0191 2.6E3 95.5785 3.0E3 96.8867 3.2E3 128.9577 3.2E5 137.4169 2.6E3 180.8532 2.6E3 198.1288 2.7E3 212.9202 2.4E4 296.8824 4.0E4 END IONS BEGIN IONS FEATURE_ID=692 PEPMASS=548.7634 SCANS=692 RTINSECONDS=290.034 CHARGE=1- MSLEVEL=2 53.8769 2.5E3 61.5314 2.5E3 87.0928 2.4E3 95.8489 2.9E3 96.8890 4.8E3 105.7956 2.9E3 107.2651 2.7E3 111.0073 3.4E3 128.9438 3.7E3 128.9577 2.3E5 212.9207 2.1E4 258.5047 3.6E3 296.8824 6.7E4 380.8451 1.0E4 END IONS BEGIN IONS FEATURE_ID=693 PEPMASS=382.8410 SCANS=693 RTINSECONDS=290.072 CHARGE=1- MSLEVEL=2 61.6667 2.2E3 73.8133 2.5E3 75.3973 2.8E3 89.0562 2.3E3 96.8884 2.4E3 118.1904 2.2E3 125.5096 2.5E3 128.9578 8.6E4 130.9555 2.9E4 214.9206 3.3E3 288.0694 2.6E3 336.1655 2.7E3 369.2418 2.4E3 END IONS BEGIN IONS FEATURE_ID=694 PEPMASS=128.9585 SCANS=694 RTINSECONDS=290.107 CHARGE=1- MSLEVEL=2 51.3219 1.4E4 52.6485 1.2E4 52.7800 1.2E4 53.6194 1.2E4 53.8392 1.3E4 54.2937 1.4E4 54.6490 1.2E4 54.7458 1.4E4 54.9252 1.3E4 55.2060 1.2E4 56.9424 1.4E4 57.5604 1.5E4 57.7175 1.3E4 57.8849 1.4E4 59.7865 1.5E4 60.4525 1.7E4 60.7858 1.3E4 62.1702 1.4E4 62.1743 1.3E4 63.3083 1.3E4 63.4805 1.4E4 64.1031 1.5E4 65.3536 1.4E4 65.7151 1.4E4 66.6092 1.4E4 68.6262 1.3E4 70.5393 1.5E4 71.0842 1.2E4 71.3836 1.4E4 74.3702 1.8E4 75.1246 1.5E4 75.4345 1.2E4 75.6043 1.3E4 76.1696 1.5E4 76.9590 1.2E4 78.0000 1.4E4 78.7291 1.6E4 78.9606 1.3E4 79.3492 1.5E4 79.6425 1.3E4 80.2682 1.5E4 81.0250 1.3E4 81.0513 1.4E4 84.5265 1.5E4 85.4748 1.3E4 85.8175 1.4E4 85.8646 1.4E4 90.7472 1.2E4 95.9348 1.2E4 96.6184 1.6E4 96.8905 2.0E4 99.1262 1.5E4 100.9853 1.4E4 103.1787 1.3E4 104.1094 1.3E4 104.2848 1.3E4 104.3737 1.3E4 105.5003 1.3E4 109.4522 1.3E4 110.6213 1.3E4 116.9634 1.3E4 120.3685 1.5E4 120.9778 1.2E4 121.4381 1.5E4 122.2909 1.3E4 123.2559 1.3E4 127.6335 1.3E4 128.2547 1.3E4 128.2859 1.4E4 130.6892 1.4E4 132.5963 1.3E4 134.3387 1.4E4 135.1429 1.2E4 135.2009 1.4E4 138.5449 1.3E4 139.2466 1.6E4 144.6400 1.3E4 147.2256 1.4E4 END IONS BEGIN IONS FEATURE_ID=695 PEPMASS=298.8805 SCANS=695 RTINSECONDS=290.108 CHARGE=1- MSLEVEL=2 51.5382 2.7E3 72.4382 4.4E3 96.8856 9.1E3 96.8926 8.8E3 101.9185 2.4E3 109.1854 3.0E3 117.5291 2.2E3 128.9577 1.2E5 130.9556 5.6E4 170.3479 2.2E3 227.9154 2.6E3 END IONS BEGIN IONS FEATURE_ID=696 PEPMASS=130.9554 SCANS=696 RTINSECONDS=290.114 CHARGE=1- MSLEVEL=2 51.9458 1.8E3 60.7569 2.2E3 65.1875 2.1E3 65.7957 1.9E3 65.9973 4.6E3 68.7677 2.4E3 68.8971 2.2E3 72.5227 4.1E3 82.1234 2.0E3 96.8867 1.3E4 96.8936 5.3E3 97.2347 2.2E3 104.0003 2.3E3 119.4707 2.4E3 130.9296 7.3E4 131.0342 1.6E4 END IONS BEGIN IONS FEATURE_ID=697 PEPMASS=84.9942 SCANS=697 RTINSECONDS=290.949 CHARGE=1- MSLEVEL=2 52.1073 3.9E4 57.9920 6.9E5 85.0028 1.2E7 96.8896 5.5E4 END IONS BEGIN IONS FEATURE_ID=698 PEPMASS=84.9975 SCANS=698 RTINSECONDS=291.223 CHARGE=1- MSLEVEL=2 52.1073 3.9E4 57.9920 6.9E5 85.0028 1.2E7 96.8896 5.5E4 END IONS BEGIN IONS FEATURE_ID=699 PEPMASS=169.9792 SCANS=699 RTINSECONDS=291.482 CHARGE=1- MSLEVEL=2 61.9868 1.9E4 65.9971 3.8E3 85.0027 6.5E5 85.0132 3.2E3 96.8912 4.9E3 169.8677 3.7E3 END IONS BEGIN IONS FEATURE_ID=700 PEPMASS=104.0296 SCANS=700 RTINSECONDS=291.8 CHARGE=1- MSLEVEL=2 51.6672 3.9E3 53.5422 3.6E3 60.4719 3.7E3 64.0052 3.9E3 72.8393 4.8E3 81.2544 3.8E3 86.6797 4.2E3 95.4679 4.4E3 96.8881 2.1E4 103.3866 3.5E3 104.0242 1.1E4 106.9548 3.8E3 END IONS BEGIN IONS FEATURE_ID=701 PEPMASS=84.9953 SCANS=701 RTINSECONDS=292.815 CHARGE=1- MSLEVEL=2 51.2756 3.0E4 57.9921 5.2E5 59.5112 3.5E4 67.9345 3.4E4 68.0002 5.1E4 85.0029 9.4E6 96.8888 5.1E4 END IONS BEGIN IONS FEATURE_ID=702 PEPMASS=104.0323 SCANS=702 RTINSECONDS=292.977 CHARGE=1- MSLEVEL=2 54.0531 4.5E3 63.2763 5.3E3 71.3570 4.2E3 74.8084 4.2E3 104.0248 6.0E3 111.3605 5.1E3 116.2150 4.9E3 END IONS BEGIN IONS FEATURE_ID=703 PEPMASS=103.0130 SCANS=703 RTINSECONDS=294.684 CHARGE=1- MSLEVEL=2 51.5156 2.8E3 59.0124 1.3E5 60.4595 2.0E3 64.5719 2.0E3 72.5881 1.9E3 76.0049 1.6E4 76.1231 2.7E3 98.1401 2.0E3 103.0161 3.8E4 103.0288 1.9E3 END IONS BEGIN IONS FEATURE_ID=704 PEPMASS=104.0271 SCANS=704 RTINSECONDS=295.968 CHARGE=1- MSLEVEL=2 67.6055 6.3E3 73.9640 6.5E3 74.0876 6.4E3 84.6696 5.9E3 86.6596 6.1E3 96.8870 1.9E4 96.8927 9.2E3 104.0240 2.1E4 108.3143 6.2E3 END IONS BEGIN IONS FEATURE_ID=705 PEPMASS=163.0234 SCANS=705 RTINSECONDS=296.304 CHARGE=1- MSLEVEL=2 61.9868 5.5E3 65.0131 3.9E5 90.4219 2.1E3 96.8898 4.3E3 118.6425 1.9E3 118.9915 6.7E3 125.6356 2.4E3 152.5694 2.7E3 154.6664 2.1E3 161.6962 2.5E3 162.8374 1.4E4 163.0006 2.3E3 END IONS BEGIN IONS FEATURE_ID=706 PEPMASS=181.0714 SCANS=706 RTINSECONDS=296.349 CHARGE=1- MSLEVEL=2 50.3327 2.2E4 55.0176 4.7E4 56.2475 1.9E4 57.0334 3.9E4 58.0045 2.7E4 59.0125 1.3E6 64.4435 1.8E4 69.0331 2.4E4 71.0124 1.5E6 71.0207 2.1E4 72.9913 2.1E4 73.0279 5.8E5 83.0123 1.2E5 85.0279 2.9E5 87.0069 6.1E4 87.0433 2.2E4 89.0229 1.1E6 89.9287 2.1E4 91.0383 3.6E4 95.0119 3.6E4 96.8893 2.8E4 97.0275 1.2E5 101.0229 1.7E6 101.0320 3.0E4 103.0384 2.8E4 113.0228 2.7E5 115.0381 1.1E5 119.0334 2.0E5 127.8677 2.3E4 131.0329 9.1E4 143.0340 3.5E4 149.0439 6.2E4 161.0444 3.8E4 163.0597 2.4E5 181.0705 3.3E6 181.3545 2.1E4 END IONS BEGIN IONS FEATURE_ID=707 PEPMASS=227.0764 SCANS=707 RTINSECONDS=296.381 CHARGE=1- MSLEVEL=2 50.6201 2.0E3 53.6653 2.3E3 55.0175 2.2E3 56.7069 2.2E3 59.0123 2.2E4 70.0109 2.0E3 71.0123 2.4E4 73.0276 5.7E3 75.4719 2.2E3 85.0275 4.6E3 86.0095 2.1E3 86.3841 2.0E3 89.0225 2.2E4 89.0578 2.4E3 96.8895 6.7E3 101.0226 3.5E4 112.3031 2.6E3 113.0224 5.1E3 119.0327 3.1E3 140.3297 2.1E3 142.9904 3.4E3 163.0591 1.0E4 181.0702 3.4E5 186.1111 2.6E3 210.9940 2.4E3 END IONS BEGIN IONS FEATURE_ID=708 PEPMASS=182.0728 SCANS=708 RTINSECONDS=296.405 CHARGE=1- MSLEVEL=2 57.0328 2.2E3 59.0123 5.9E4 60.0156 2.7E4 66.4922 2.5E3 71.0124 5.7E4 72.0155 4.9E4 73.0276 2.4E4 74.0311 1.7E4 74.4239 2.0E3 85.0279 5.4E3 86.0310 1.4E4 89.0228 4.1E4 90.0259 3.8E4 96.0149 2.5E3 96.8907 3.1E3 97.0272 2.6E3 98.0312 6.9E3 101.0227 3.9E4 102.0262 7.5E4 113.0227 4.3E3 114.0262 1.5E4 115.6255 2.1E3 116.0413 5.3E3 119.0326 5.2E3 120.0362 7.3E3 122.7911 2.0E3 132.0378 3.2E3 162.0466 2.5E3 164.0632 2.0E4 182.0736 1.9E5 END IONS BEGIN IONS FEATURE_ID=709 PEPMASS=181.0578 SCANS=709 RTINSECONDS=296.571 CHARGE=1- MSLEVEL=2 50.4991 2.5E4 55.0134 3.5E5 57.0289 2.3E5 58.0002 1.6E5 59.0018 5.1E4 59.0080 7.6E6 60.0113 1.1E5 67.9222 2.9E4 69.0281 2.2E5 71.0071 8.5E6 71.0151 3.9E4 72.0104 1.6E5 72.9862 1.1E5 73.0184 7.6E4 73.0226 2.9E6 73.0674 2.8E4 74.0258 6.8E4 75.0018 4.2E4 83.0063 6.7E5 84.0094 2.9E4 85.0217 1.5E6 87.0009 2.1E5 87.0370 6.0E4 88.0085 3.5E4 89.0163 4.4E6 90.0196 8.7E4 91.0317 1.7E5 95.0054 2.6E5 96.8975 9.1E4 97.0209 5.3E5 98.9999 7.7E4 99.0360 2.7E4 100.5565 2.3E4 101.0155 8.4E6 101.0906 2.8E4 102.0186 2.5E5 103.0309 1.0E5 113.0147 1.3E6 114.0180 4.0E4 115.0301 3.2E5 119.0248 5.5E5 121.0402 9.1E4 125.0135 3.8E4 127.0291 8.1E4 131.0240 5.2E5 143.0237 1.9E5 149.0333 1.5E5 161.0324 1.6E5 163.0347 5.7E4 163.0482 1.1E6 163.0618 6.3E4 164.0511 5.0E4 179.0417 5.1E4 181.0575 1.0E7 181.0902 8.5E4 182.0611 5.5E5 182.5791 2.5E4 END IONS BEGIN IONS FEATURE_ID=710 PEPMASS=84.0014 SCANS=710 RTINSECONDS=296.652 CHARGE=1- MSLEVEL=2 52.9535 2.1E3 57.9877 7.0E3 84.9828 5.5E3 84.9966 9.6E4 85.0008 1.4E3 96.8919 2.0E3 96.8978 2.6E3 98.1109 2.0E3 99.9170 1.6E4 END IONS BEGIN IONS FEATURE_ID=711 PEPMASS=244.0493 SCANS=711 RTINSECONDS=296.652 CHARGE=1- MSLEVEL=2 51.5391 2.8E3 61.9759 4.1E3 61.9823 9.0E5 62.5830 2.2E3 62.9797 2.7E3 70.9920 2.1E3 72.1474 2.3E3 78.0487 3.0E3 82.1255 2.4E3 83.5086 2.0E3 94.5877 2.5E3 99.9171 5.4E3 116.9192 3.2E3 121.7970 2.6E3 132.9808 2.5E3 135.6879 2.5E3 156.0547 2.6E3 176.9839 4.6E3 180.9758 1.7E4 196.9401 2.6E3 196.9718 3.4E3 204.9742 1.2E4 216.9742 3.7E3 224.9816 5.4E3 244.9875 5.1E3 252.1993 2.7E3 END IONS BEGIN IONS FEATURE_ID=712 PEPMASS=266.0687 SCANS=712 RTINSECONDS=296.652 CHARGE=1- MSLEVEL=2 59.0081 2.6E4 71.0070 2.8E4 73.0227 1.1E4 73.6471 2.6E3 80.2365 2.4E3 82.7643 2.8E3 83.9881 3.3E3 83.9911 6.0E3 84.0014 1.2E6 84.0096 5.6E3 84.0117 6.1E3 85.0046 2.1E4 85.0217 7.2E3 89.0163 2.1E4 95.0049 2.7E3 96.8964 6.5E3 99.9162 2.9E3 101.0155 4.3E4 101.9151 2.9E3 109.5490 2.4E3 113.0146 7.3E3 114.6602 2.3E3 116.9857 4.1E3 119.0251 2.9E3 134.3179 2.5E3 153.5455 2.4E3 161.6183 2.8E3 162.9882 3.0E3 163.0489 1.2E4 178.9787 3.3E3 181.0407 3.0E3 181.0446 3.3E3 181.0576 3.2E5 182.0614 1.2E4 182.9731 4.5E3 198.9845 4.9E3 201.9249 4.2E3 206.9724 6.7E3 226.9775 5.8E3 237.8537 3.8E3 238.8517 4.3E3 246.9831 4.7E3 266.9660 5.8E3 END IONS BEGIN IONS FEATURE_ID=713 PEPMASS=280.9763 SCANS=713 RTINSECONDS=296.652 CHARGE=1- MSLEVEL=2 51.5437 3.3E3 75.6889 2.5E3 84.9308 8.0E3 85.6380 2.9E3 87.0008 2.4E3 96.8931 4.9E3 98.9464 4.5E3 99.8156 2.4E3 99.9170 6.5E4 100.9186 4.6E3 100.9247 2.3E5 101.9250 1.6E4 112.9761 5.9E3 114.9394 6.9E3 115.9108 2.8E5 116.9108 1.9E4 116.9186 7.5E4 117.9186 9.0E3 124.9233 2.8E3 126.9385 2.6E4 128.9175 3.6E3 128.9855 3.5E3 130.9330 1.2E4 132.9786 3.4E3 140.9540 3.2E3 141.9249 1.2E4 142.9325 3.0E4 152.8825 3.2E3 152.9138 3.0E3 152.9848 4.8E3 154.9320 2.1E4 155.5478 2.4E3 156.9980 3.2E3 164.9834 3.2E3 167.9387 9.9E3 168.9463 9.6E3 170.9256 7.8E3 176.9657 2.4E3 176.9828 5.6E3 182.9246 3.4E3 184.9402 3.2E4 185.9412 3.7E3 196.9395 7.4E4 196.9882 9.6E3 197.9407 6.7E3 214.9487 2.0E4 216.9743 2.8E3 216.9939 2.8E3 226.9472 1.7E4 232.9641 2.7E3 240.9708 5.7E3 244.9579 8.3E4 245.3216 2.4E3 245.9591 1.1E4 252.9835 1.1E4 266.9621 6.1E3 280.9770 6.6E4 281.9785 6.0E3 END IONS BEGIN IONS FEATURE_ID=714 PEPMASS=371.1096 SCANS=714 RTINSECONDS=296.652 CHARGE=1- MSLEVEL=2 55.9031 2.6E3 60.0774 2.6E3 65.2358 2.6E3 71.0070 6.0E3 90.9701 2.6E3 91.7447 2.6E3 98.8050 2.4E3 101.0150 3.3E3 137.8566 3.3E3 147.5760 2.5E3 158.5701 2.4E3 181.0575 2.9E3 189.0424 8.9E3 191.0584 2.9E3 207.0517 1.2E4 266.9644 3.3E3 273.1753 2.8E3 371.0604 4.0E3 371.1097 2.0E5 372.1119 1.8E4 END IONS BEGIN IONS FEATURE_ID=715 PEPMASS=217.0320 SCANS=715 RTINSECONDS=296.807 CHARGE=1- MSLEVEL=2 51.5446 2.3E3 59.0080 1.1E4 65.3086 2.2E3 71.0070 1.2E4 73.0225 3.7E3 89.0165 8.5E3 90.6233 2.1E3 96.8941 3.7E3 96.9515 3.3E4 101.0155 1.8E4 112.9945 1.2E4 113.0149 3.4E3 115.6962 2.6E3 116.9187 2.1E4 119.2768 2.2E3 128.9854 3.8E3 132.9796 4.6E3 132.9996 7.8E3 134.4021 2.5E3 134.9948 2.7E3 152.9845 1.2E4 156.9777 4.8E3 163.0483 6.5E3 164.7296 2.2E3 176.9832 7.2E3 181.0406 2.9E3 181.0443 2.6E3 181.0576 2.1E5 182.0611 1.0E4 185.3447 2.5E3 196.9885 5.7E3 199.8356 3.8E4 200.8363 8.2E3 216.8376 2.8E4 216.9748 1.1E4 216.9948 3.3E3 217.0319 1.5E4 217.8378 8.3E3 END IONS BEGIN IONS FEATURE_ID=716 PEPMASS=227.0602 SCANS=716 RTINSECONDS=296.807 CHARGE=1- MSLEVEL=2 55.0134 4.6E3 57.0289 3.5E3 59.0050 3.1E3 59.0080 1.0E5 59.0109 2.1E3 60.0112 2.9E3 62.0618 2.4E3 64.9966 3.1E3 69.0279 2.4E3 70.9487 2.9E3 71.0071 1.1E5 73.0188 3.7E3 73.0226 4.7E4 83.0060 8.1E3 83.2603 3.2E3 85.0218 2.0E4 89.0164 8.1E4 92.9873 8.2E3 95.0054 5.1E3 97.0208 9.0E3 98.9997 2.8E3 101.0155 1.6E5 101.0211 2.2E3 102.0191 2.7E3 113.0148 2.9E4 115.0302 1.3E4 119.0251 1.9E4 119.1622 2.4E3 122.5860 2.6E3 131.0235 1.2E4 142.9807 3.5E4 143.0229 7.8E3 149.0334 3.1E3 155.0007 2.6E3 159.6582 2.5E3 161.0318 6.1E3 162.9860 3.2E4 163.0479 3.6E4 166.9803 6.6E3 178.9793 5.5E3 181.0241 1.0E4 181.0320 5.4E3 181.0576 1.4E6 181.0905 9.6E3 182.0610 6.8E4 186.9852 1.2E4 206.9713 6.4E3 206.9902 6.6E3 226.9783 6.8E3 226.9978 3.5E3 END IONS BEGIN IONS FEATURE_ID=717 PEPMASS=295.0430 SCANS=717 RTINSECONDS=296.807 CHARGE=1- MSLEVEL=2 61.0438 2.1E3 61.9821 2.6E3 68.9892 1.3E5 68.9926 2.3E3 96.8951 3.4E3 112.9759 3.3E5 113.9794 2.2E3 116.9183 2.3E3 133.2800 2.6E3 166.9806 2.6E3 190.9982 4.3E3 206.9715 3.6E3 210.9843 2.7E3 221.2872 2.7E3 230.1293 2.4E3 230.9702 7.3E3 234.9648 3.1E3 254.9681 4.6E3 END IONS BEGIN IONS FEATURE_ID=718 PEPMASS=112.9759 SCANS=718 RTINSECONDS=296.809 CHARGE=1- MSLEVEL=2 67.9676 1.9E3 68.9892 3.7E5 69.9923 3.1E3 79.0542 2.2E3 84.9832 2.6E3 92.9875 8.2E3 96.8967 3.8E3 98.4004 2.1E3 99.1533 1.9E3 103.8516 1.8E3 112.9759 1.6E4 113.9166 5.6E3 117.0631 2.4E3 END IONS BEGIN IONS FEATURE_ID=719 PEPMASS=181.0697 SCANS=719 RTINSECONDS=296.911 CHARGE=1- MSLEVEL=2 55.0179 2.4E3 58.5485 2.3E3 59.0123 7.1E4 60.7601 2.1E3 71.0123 9.3E4 72.9914 2.4E3 73.0278 3.1E4 79.4125 2.1E3 83.0123 5.7E3 83.0233 6.9E3 85.0278 1.9E4 89.0228 6.3E4 92.9182 1.0E4 96.8920 2.3E3 97.0278 6.2E3 101.0006 2.3E3 101.0227 8.9E4 109.6694 2.3E3 112.9839 7.7E3 113.0231 1.3E4 115.0383 3.7E3 119.0330 1.1E4 131.0330 6.8E3 136.9078 5.7E3 143.0328 2.7E3 150.8289 2.5E3 163.0598 1.0E4 180.9217 2.8E3 180.9863 2.5E3 181.0706 1.5E5 END IONS BEGIN IONS FEATURE_ID=720 PEPMASS=84.9976 SCANS=720 RTINSECONDS=296.96 CHARGE=1- MSLEVEL=2 53.6768 4.1E4 56.6893 3.9E4 57.9921 5.7E5 65.6877 3.7E4 67.0156 4.1E4 68.0000 4.5E4 85.0028 1.1E7 96.8865 4.4E4 END IONS BEGIN IONS FEATURE_ID=721 PEPMASS=244.0658 SCANS=721 RTINSECONDS=296.977 CHARGE=1- MSLEVEL=2 54.8244 2.1E3 54.9629 2.1E3 57.5951 2.2E3 61.9824 2.8E3 61.9832 3.8E3 61.9871 1.9E5 62.0347 2.1E3 65.1968 2.2E3 91.1398 2.4E3 97.3413 2.3E3 110.6067 2.5E3 118.1915 2.1E3 174.6010 2.2E3 END IONS BEGIN IONS FEATURE_ID=722 PEPMASS=217.0478 SCANS=722 RTINSECONDS=297.057 CHARGE=1- MSLEVEL=2 96.8879 2.6E3 99.6952 2.2E3 123.6096 2.0E3 129.9031 2.1E3 159.2117 2.5E3 181.0705 2.8E4 217.0479 5.3E3 END IONS BEGIN IONS FEATURE_ID=723 PEPMASS=85.0056 SCANS=723 RTINSECONDS=297.705 CHARGE=1- MSLEVEL=2 52.1137 3.1E4 52.7859 3.5E4 57.6704 3.3E4 57.9920 5.3E5 58.9806 3.3E4 80.0150 3.5E4 85.0028 1.1E7 94.4934 3.4E4 94.8832 3.6E4 96.8894 4.3E4 END IONS BEGIN IONS FEATURE_ID=724 PEPMASS=85.0000 SCANS=724 RTINSECONDS=298.018 CHARGE=1- MSLEVEL=2 55.4685 2.5E4 57.9921 3.6E5 62.1322 2.3E4 84.5290 2.8E4 84.8956 2.8E4 85.0028 6.9E6 85.7445 2.9E4 96.8891 5.4E4 END IONS BEGIN IONS FEATURE_ID=725 PEPMASS=85.0119 SCANS=725 RTINSECONDS=298.411 CHARGE=1- MSLEVEL=2 51.5358 4.8E4 57.9920 5.1E5 65.4370 4.2E4 66.8105 3.7E4 85.0029 1.1E7 85.0135 6.6E4 96.8905 7.4E4 98.1757 4.9E4 END IONS BEGIN IONS FEATURE_ID=726 PEPMASS=105.0208 SCANS=726 RTINSECONDS=299.175 CHARGE=1- MSLEVEL=2 50.0023 2.0E3 51.4874 1.7E3 52.0204 1.7E3 52.3659 1.5E3 52.7456 1.4E3 52.8747 1.6E3 52.9335 1.8E3 54.0050 1.7E3 55.1488 1.6E3 56.0072 1.5E3 56.1892 1.9E3 56.7954 2.0E3 57.3381 1.8E3 57.9150 1.6E3 58.4045 2.1E3 58.4378 1.5E3 58.8082 1.7E3 59.4775 1.5E3 60.2315 1.5E3 60.3220 1.6E3 60.3914 1.7E3 60.9624 1.5E3 61.6937 1.8E3 61.7182 1.5E3 62.0144 1.6E3 62.1835 1.8E3 62.4876 1.5E3 62.5406 1.5E3 63.9809 1.7E3 64.4626 1.8E3 64.5550 1.5E3 64.7116 1.9E3 67.0026 1.7E3 67.2825 1.5E3 69.6093 1.6E3 70.7831 2.0E3 72.4393 1.8E3 75.4091 1.8E3 75.6217 1.5E3 76.2759 1.5E3 77.8425 2.0E3 78.6926 1.6E3 80.4571 2.1E3 81.0480 1.6E3 84.2345 1.7E3 84.5381 1.8E3 86.6729 1.4E3 89.0460 1.4E3 89.4018 1.5E3 89.7535 2.0E3 90.5368 1.8E3 91.0968 1.8E3 92.7132 1.6E3 94.4687 1.8E3 94.9017 1.9E3 95.1374 1.6E3 96.5137 2.1E3 96.8915 2.1E3 97.1621 1.4E3 98.1388 1.7E3 98.1454 1.8E3 102.8869 1.5E3 105.2983 1.5E3 105.4623 1.4E3 110.0597 1.5E3 110.4650 1.7E3 110.9710 1.4E3 111.7852 1.6E3 113.4632 1.6E3 114.0543 1.6E3 114.0939 1.4E3 121.4720 1.8E3 123.8310 1.7E3 END IONS BEGIN IONS FEATURE_ID=727 PEPMASS=104.0320 SCANS=727 RTINSECONDS=299.391 CHARGE=1- MSLEVEL=2 53.1339 4.4E3 55.6855 5.4E3 60.4633 4.6E3 78.8123 4.9E3 104.0240 1.3E4 104.3614 5.2E3 END IONS BEGIN IONS FEATURE_ID=728 PEPMASS=102.0083 SCANS=728 RTINSECONDS=300.252 CHARGE=1- MSLEVEL=2 50.1881 1.8E3 51.5124 3.0E3 59.0124 3.5E3 60.4552 3.4E3 61.4696 1.9E3 71.1023 1.9E3 86.5504 2.0E3 96.8880 3.3E3 97.0266 1.9E3 99.9245 6.6E3 100.9242 3.3E3 101.9321 3.8E3 102.0080 1.2E4 116.9191 1.3E4 END IONS BEGIN IONS FEATURE_ID=729 PEPMASS=104.0294 SCANS=729 RTINSECONDS=302.179 CHARGE=1- MSLEVEL=2 51.5079 7.1E3 57.2621 7.2E3 62.1569 7.5E3 68.2505 6.8E3 71.9414 7.1E3 96.8871 1.2E4 98.7517 6.8E3 99.2200 7.7E3 104.0237 1.5E4 107.9638 6.6E3 124.6734 6.4E3 END IONS BEGIN IONS FEATURE_ID=730 PEPMASS=239.0767 SCANS=730 RTINSECONDS=302.817 CHARGE=1- MSLEVEL=2 51.2495 2.0E3 57.8579 2.1E3 61.9865 2.0E3 66.8489 2.2E3 68.5628 2.1E3 69.0804 2.1E3 70.8331 2.3E3 72.4994 2.5E3 81.0141 2.2E3 96.8893 4.0E3 99.9817 2.7E3 104.9933 2.0E3 107.6406 2.1E3 116.0709 2.3E3 157.1995 2.1E3 176.0117 2.0E3 229.9445 2.7E3 243.8969 2.7E3 END IONS BEGIN IONS FEATURE_ID=731 PEPMASS=239.0751 SCANS=731 RTINSECONDS=302.837 CHARGE=1- MSLEVEL=2 51.5354 1.9E3 59.1636 2.4E3 65.1663 2.0E3 76.6576 2.0E3 78.1453 2.0E3 78.2298 2.2E3 82.7887 2.2E3 96.8883 4.5E3 97.1201 2.2E3 103.4177 2.1E3 129.5592 2.2E3 134.4308 2.2E3 168.5361 2.1E3 END IONS BEGIN IONS FEATURE_ID=732 PEPMASS=84.9976 SCANS=732 RTINSECONDS=302.996 CHARGE=1- MSLEVEL=2 50.8799 3.5E4 52.2650 3.9E4 53.8274 3.9E4 54.5916 3.5E4 57.9920 7.1E5 68.0000 7.4E4 73.7952 3.8E4 84.9921 1.1E5 84.9939 4.5E4 85.0028 1.2E7 85.0135 7.5E4 87.8487 4.1E4 END IONS BEGIN IONS FEATURE_ID=733 PEPMASS=103.0132 SCANS=733 RTINSECONDS=303.25 CHARGE=1- MSLEVEL=2 59.0126 2.7E5 64.5407 2.1E3 67.1773 2.0E3 76.0050 1.4E4 87.0727 2.8E3 96.8894 4.1E3 103.0163 3.8E4 104.0825 2.6E3 117.9174 3.6E3 END IONS BEGIN IONS FEATURE_ID=734 PEPMASS=84.9942 SCANS=734 RTINSECONDS=303.562 CHARGE=1- MSLEVEL=2 55.4609 2.6E4 56.5205 3.0E4 57.9921 4.1E5 60.4716 3.0E4 62.8626 2.8E4 79.7872 2.9E4 81.2752 3.0E4 85.0028 8.1E6 END IONS BEGIN IONS FEATURE_ID=735 PEPMASS=84.9958 SCANS=735 RTINSECONDS=303.603 CHARGE=1- MSLEVEL=2 52.7114 4.4E4 57.9921 4.6E5 71.9582 3.7E4 85.0028 9.2E6 96.8893 9.2E4 104.2457 3.9E4 END IONS BEGIN IONS FEATURE_ID=736 PEPMASS=192.9963 SCANS=736 RTINSECONDS=303.81 CHARGE=1- MSLEVEL=2 71.3158 2.3E3 73.8854 2.2E3 84.9920 5.4E3 85.0028 9.3E5 90.9314 4.5E3 96.8849 2.5E3 96.8909 4.1E3 107.4835 2.8E3 113.3186 2.3E3 114.6994 2.1E3 144.8723 2.6E3 177.3719 2.4E3 183.6074 2.1E3 192.9108 3.7E3 193.0862 5.6E3 END IONS BEGIN IONS FEATURE_ID=737 PEPMASS=134.8834 SCANS=737 RTINSECONDS=304.75 CHARGE=1- MSLEVEL=2 60.5944 2.0E3 64.6507 2.6E3 66.9927 4.7E3 75.8041 2.4E3 82.2178 2.3E3 94.9855 4.3E3 96.7396 2.3E3 96.8941 2.7E3 97.9131 2.5E3 99.9170 3.4E4 134.5144 2.7E3 134.8553 3.7E4 134.8605 4.6E3 134.8835 1.1E6 134.9002 3.9E3 134.9049 1.1E4 134.9943 2.5E3 135.8726 2.9E3 135.8834 1.2E5 135.9599 1.2E4 END IONS BEGIN IONS FEATURE_ID=738 PEPMASS=146.9638 SCANS=738 RTINSECONDS=305.285 CHARGE=1- MSLEVEL=2 51.5226 2.3E3 56.4736 2.2E3 59.2501 1.8E3 61.9869 1.1E5 63.4424 1.9E3 63.6487 2.4E3 81.7016 2.1E3 87.9234 4.3E3 93.6043 2.1E3 94.3989 2.3E3 94.6613 2.7E3 96.8899 3.9E3 102.9477 5.9E3 118.3622 2.1E3 157.2190 2.2E3 END IONS BEGIN IONS FEATURE_ID=739 PEPMASS=181.0695 SCANS=739 RTINSECONDS=306.395 CHARGE=1- MSLEVEL=2 55.0176 6.3E3 57.0334 2.9E3 58.8229 2.0E3 59.0124 1.1E5 59.7962 2.1E3 66.8211 2.3E3 69.0327 3.2E3 71.0124 1.4E5 73.0279 3.0E4 83.0124 1.1E4 83.0237 4.8E3 85.0278 3.0E4 85.9360 2.1E3 87.0069 3.1E3 89.0228 9.6E4 89.8085 2.2E3 91.0394 2.5E3 96.8864 2.4E3 96.8919 2.2E3 96.9583 7.8E3 96.9672 2.7E3 97.0274 8.7E3 101.0228 1.4E5 109.0279 2.4E3 113.0231 1.4E4 115.0389 5.7E3 119.0331 1.4E4 121.0479 3.3E3 131.0333 1.1E4 145.0724 2.5E3 149.0444 3.3E3 154.7484 2.5E3 163.0596 3.3E4 180.9215 2.6E3 181.0705 1.9E5 181.0923 2.6E3 191.3061 2.3E3 END IONS BEGIN IONS FEATURE_ID=740 PEPMASS=84.9957 SCANS=740 RTINSECONDS=306.456 CHARGE=1- MSLEVEL=2 57.1420 3.6E4 57.9921 4.4E5 64.6196 3.5E4 69.7196 3.6E4 85.0028 8.3E6 96.8896 4.3E4 END IONS BEGIN IONS FEATURE_ID=741 PEPMASS=181.0709 SCANS=741 RTINSECONDS=306.559 CHARGE=1- MSLEVEL=2 54.3910 2.1E3 55.0174 7.0E3 57.0330 7.2E3 58.0045 2.8E3 59.0124 1.9E5 69.0330 5.0E3 70.0547 2.2E3 71.0124 2.3E5 71.0175 3.6E3 72.9920 2.3E3 73.0277 4.5E4 74.2209 2.4E3 83.0122 1.7E4 83.0234 3.6E3 84.2120 2.4E3 85.0277 5.1E4 87.0066 5.8E3 89.0227 1.5E5 89.0295 4.8E3 95.0117 4.5E3 96.8878 3.2E3 96.9578 6.8E3 97.0276 1.1E4 100.5840 2.4E3 101.0227 2.4E5 101.0322 2.8E3 103.0386 3.1E3 113.0228 2.6E4 115.0386 1.1E4 116.5332 2.5E3 119.0332 3.2E4 125.4120 2.2E3 131.0324 1.6E4 135.3058 2.2E3 137.0952 2.6E3 143.0329 3.9E3 149.0441 7.5E3 161.0442 3.8E3 163.0596 4.9E4 167.2471 2.3E3 179.0550 2.9E3 180.9875 3.5E3 181.0704 2.8E5 END IONS BEGIN IONS FEATURE_ID=742 PEPMASS=169.9793 SCANS=742 RTINSECONDS=307.179 CHARGE=1- MSLEVEL=2 50.3408 1.8E3 60.4675 2.5E3 61.9867 2.0E4 65.0129 2.1E3 66.8795 2.1E3 75.2509 2.1E3 84.5316 2.6E3 85.0027 7.7E5 96.2730 2.3E3 96.8885 3.0E3 98.3991 2.3E3 108.4034 2.2E3 131.7114 2.2E3 END IONS BEGIN IONS FEATURE_ID=743 PEPMASS=84.9942 SCANS=743 RTINSECONDS=307.415 CHARGE=1- MSLEVEL=2 52.7702 3.3E4 57.9921 4.6E5 59.3186 4.2E4 61.4289 3.7E4 68.0001 4.6E4 75.3442 4.5E4 82.5928 4.1E4 85.0028 1.0E7 85.2527 4.2E4 96.8909 4.1E4 END IONS BEGIN IONS FEATURE_ID=744 PEPMASS=104.0273 SCANS=744 RTINSECONDS=307.748 CHARGE=1- MSLEVEL=2 59.8440 6.2E3 60.4114 5.8E3 69.3744 6.5E3 70.2887 6.2E3 86.0094 6.6E3 89.5693 6.8E3 93.6099 5.6E3 96.8897 3.2E4 104.0241 1.0E4 END IONS BEGIN IONS FEATURE_ID=745 PEPMASS=104.0294 SCANS=745 RTINSECONDS=308.578 CHARGE=1- MSLEVEL=2 55.6545 3.8E3 56.3271 4.6E3 58.9879 4.9E3 96.8893 7.8E3 104.0242 1.1E4 113.8452 5.6E3 END IONS BEGIN IONS FEATURE_ID=746 PEPMASS=84.9975 SCANS=746 RTINSECONDS=309.283 CHARGE=1- MSLEVEL=2 57.9922 4.4E5 68.0001 4.4E4 75.1817 2.7E4 85.0028 9.4E6 96.8904 4.5E4 104.6696 3.2E4 END IONS BEGIN IONS FEATURE_ID=747 PEPMASS=192.9964 SCANS=747 RTINSECONDS=311.202 CHARGE=1- MSLEVEL=2 50.7103 2.2E3 61.1069 2.3E3 62.2406 2.2E3 64.6069 2.3E3 71.4601 2.1E3 74.7459 2.1E3 80.7355 2.5E3 85.0028 8.5E5 90.9319 2.9E3 95.2745 2.1E3 96.8918 2.3E3 100.9792 2.5E3 124.6151 2.1E3 165.0399 2.2E3 191.6613 3.3E3 192.9110 5.7E3 193.0866 4.8E3 198.1467 2.4E3 END IONS BEGIN IONS FEATURE_ID=748 PEPMASS=225.0595 SCANS=748 RTINSECONDS=311.508 CHARGE=1- MSLEVEL=2 57.4180 2.2E3 59.0123 4.0E4 71.0121 2.5E4 75.9674 2.2E3 83.1183 2.1E3 85.0276 3.4E3 89.0228 3.6E4 101.0225 1.7E4 102.6434 2.2E3 107.1340 2.5E3 113.0226 1.6E4 119.0331 1.3E4 137.2765 2.1E3 143.0333 2.9E3 204.9871 2.3E3 227.8846 2.4E3 END IONS BEGIN IONS FEATURE_ID=749 PEPMASS=192.9957 SCANS=749 RTINSECONDS=311.771 CHARGE=1- MSLEVEL=2 57.9919 3.7E3 58.7251 2.5E3 66.1712 2.1E3 85.0027 7.3E5 90.9317 3.9E3 96.1329 2.5E3 96.8890 4.1E3 159.0041 2.2E3 193.0513 2.7E3 193.0863 6.2E3 200.3692 2.4E3 END IONS BEGIN IONS FEATURE_ID=750 PEPMASS=179.0537 SCANS=750 RTINSECONDS=311.864 CHARGE=1- MSLEVEL=2 54.9313 2.0E3 57.0331 2.7E3 58.0047 4.5E3 59.0125 3.0E5 61.5682 2.2E3 63.5254 2.1E3 64.7503 2.1E3 71.0123 1.8E5 71.0174 4.1E3 72.9917 7.1E3 83.0126 3.4E3 83.6294 2.3E3 85.0277 2.2E4 87.0071 3.7E3 88.3489 2.1E3 89.0227 8.6E4 95.0120 1.1E4 96.8915 6.3E3 101.0227 3.6E4 113.0226 3.0E4 118.0563 2.1E3 119.0336 1.5E4 136.0142 8.4E3 144.9127 2.1E3 166.9261 2.4E3 179.0195 4.5E4 END IONS BEGIN IONS FEATURE_ID=751 PEPMASS=143.0335 SCANS=751 RTINSECONDS=311.955 CHARGE=1- MSLEVEL=2 51.5141 2.3E3 54.9810 2.0E3 59.0127 2.2E3 65.5508 2.2E3 66.0243 1.9E3 69.0331 3.0E3 69.9547 2.0E3 71.0125 8.8E3 77.2161 1.9E3 85.0281 1.4E4 87.0073 7.2E3 89.0128 3.0E3 96.8887 2.7E3 97.0281 4.7E3 97.7486 1.9E3 99.0442 2.7E3 116.0243 6.9E3 125.0235 2.6E3 139.1839 2.0E3 143.0236 8.8E3 143.0351 2.2E4 END IONS BEGIN IONS FEATURE_ID=752 PEPMASS=179.0550 SCANS=752 RTINSECONDS=311.976 CHARGE=1- MSLEVEL=2 51.0252 2.3E3 55.0176 3.7E3 57.0332 2.6E3 58.0047 9.9E3 59.0126 5.3E5 70.2232 2.3E3 71.0123 3.6E5 72.9915 1.1E4 73.0283 2.9E3 83.0122 4.9E3 85.0277 4.0E4 87.0070 5.0E3 89.0227 1.7E5 94.9791 7.4E3 95.0118 2.2E4 96.8900 3.0E3 101.0227 7.1E4 102.9864 2.6E3 113.0226 5.5E4 119.0335 2.8E4 136.0129 3.6E3 179.0192 2.1E4 197.7048 2.7E3 END IONS BEGIN IONS FEATURE_ID=753 PEPMASS=101.0223 SCANS=753 RTINSECONDS=311.981 CHARGE=1- MSLEVEL=2 51.5321 2.1E3 55.0177 5.3E3 76.8170 1.9E3 87.6552 1.9E3 96.8872 2.4E3 99.9241 2.7E4 100.6949 2.3E3 100.9318 3.1E4 101.0229 3.0E3 115.9192 1.3E5 END IONS BEGIN IONS FEATURE_ID=754 PEPMASS=113.0223 SCANS=754 RTINSECONDS=311.996 CHARGE=1- MSLEVEL=2 55.0176 2.8E3 57.0333 7.9E3 58.0285 1.8E3 68.9943 1.1E5 70.2147 2.1E3 83.0123 2.4E3 84.0200 3.6E3 85.0278 2.9E4 96.8917 2.4E3 112.9842 4.7E3 112.9978 1.6E4 113.0239 3.4E3 END IONS BEGIN IONS FEATURE_ID=755 PEPMASS=225.0607 SCANS=755 RTINSECONDS=312.005 CHARGE=1- MSLEVEL=2 50.1958 2.1E3 53.6495 2.1E3 54.3837 2.0E3 57.0422 2.3E3 58.1023 2.0E3 59.0124 6.2E4 61.6140 2.4E3 71.0123 4.6E4 85.0282 4.0E3 89.0228 5.6E4 95.0122 2.4E3 96.8895 2.5E3 101.0227 2.8E4 103.4087 2.2E3 113.0228 2.1E4 118.9190 2.1E3 119.0334 2.0E4 140.1470 2.2E3 148.9027 2.3E3 179.0560 4.3E3 200.1329 2.2E3 221.9694 2.2E3 END IONS BEGIN IONS FEATURE_ID=756 PEPMASS=161.0432 SCANS=756 RTINSECONDS=312.03 CHARGE=1- MSLEVEL=2 57.0335 7.3E3 59.0123 1.9E4 61.7256 2.1E3 66.6314 2.2E3 71.0122 1.1E5 72.9917 3.3E3 73.0278 9.8E3 85.0278 7.0E4 95.0120 3.3E4 96.8874 3.6E3 101.0231 4.9E3 106.0033 2.3E3 113.0226 5.0E4 118.0032 2.9E3 120.5678 2.1E3 126.1045 2.2E3 152.3296 2.2E3 161.0098 2.7E3 END IONS BEGIN IONS FEATURE_ID=757 PEPMASS=89.0223 SCANS=757 RTINSECONDS=312.04 CHARGE=1- MSLEVEL=2 50.2667 1.9E3 54.2812 2.1E3 55.2528 2.1E3 56.0723 1.8E3 59.0123 2.9E4 62.0023 6.5E3 71.0122 8.4E3 72.9914 3.3E3 87.0750 2.1E3 89.0129 7.4E4 89.0219 1.1E4 96.8877 2.5E3 END IONS BEGIN IONS FEATURE_ID=758 PEPMASS=103.0130 SCANS=758 RTINSECONDS=312.065 CHARGE=1- MSLEVEL=2 59.0125 3.1E5 60.6220 2.2E3 61.3050 1.9E3 67.3487 2.3E3 68.6672 2.1E3 69.3396 1.7E3 72.8969 1.9E3 76.0050 1.6E4 88.0049 2.4E3 96.8879 2.4E3 103.0160 4.0E4 103.0278 3.6E3 117.9179 5.1E3 END IONS BEGIN IONS FEATURE_ID=759 PEPMASS=215.0315 SCANS=759 RTINSECONDS=312.347 CHARGE=1- MSLEVEL=2 50.7227 2.0E3 54.4195 2.1E3 59.5794 2.2E3 73.8439 2.2E3 79.7561 2.2E3 91.4524 2.1E3 96.8906 4.0E3 97.9774 2.1E3 131.3695 2.2E3 142.0748 2.1E3 215.0105 4.1E3 END IONS BEGIN IONS FEATURE_ID=760 PEPMASS=112.9838 SCANS=760 RTINSECONDS=312.518 CHARGE=1- MSLEVEL=2 57.0333 3.8E3 62.1160 1.9E3 66.2529 2.4E3 68.9942 8.0E4 68.9996 1.8E3 81.1476 2.1E3 84.0201 2.6E3 85.0279 1.6E4 88.0744 1.9E3 88.4434 1.8E3 96.8857 2.5E3 112.9847 2.8E3 112.9980 8.8E3 113.0233 2.6E3 END IONS BEGIN IONS FEATURE_ID=761 PEPMASS=104.0294 SCANS=761 RTINSECONDS=312.744 CHARGE=1- MSLEVEL=2 67.6055 6.3E3 73.9640 6.5E3 74.0876 6.4E3 84.6696 5.9E3 86.6596 6.1E3 96.8870 1.9E4 96.8927 9.2E3 104.0240 2.1E4 108.3143 6.2E3 END IONS BEGIN IONS FEATURE_ID=762 PEPMASS=187.0038 SCANS=762 RTINSECONDS=313.575 CHARGE=1- MSLEVEL=2 79.9556 1.3E4 85.6452 2.6E3 93.7273 2.4E3 96.8896 3.7E3 99.5067 2.6E3 105.0331 2.1E3 113.3152 2.4E3 123.0435 3.8E4 164.3238 2.5E3 170.0024 4.6E3 185.2726 2.3E3 187.0062 6.1E5 END IONS BEGIN IONS FEATURE_ID=763 PEPMASS=85.0118 SCANS=763 RTINSECONDS=313.595 CHARGE=1- MSLEVEL=2 53.0194 3.7E4 57.9920 5.3E5 69.2138 3.4E4 77.5778 3.8E4 85.0027 1.2E7 86.6033 3.7E4 96.8905 4.4E4 END IONS BEGIN IONS FEATURE_ID=764 PEPMASS=187.0046 SCANS=764 RTINSECONDS=313.719 CHARGE=1- MSLEVEL=2 59.0465 2.1E3 79.9557 2.0E4 105.0331 2.5E3 118.1209 2.2E3 118.9371 2.3E3 123.0432 5.2E4 163.6489 2.3E3 168.9948 3.9E3 170.0040 3.7E3 187.0060 7.6E5 188.9823 2.5E3 204.9122 2.8E3 END IONS BEGIN IONS FEATURE_ID=765 PEPMASS=84.9940 SCANS=765 RTINSECONDS=315.469 CHARGE=1- MSLEVEL=2 55.1688 4.2E4 57.9921 8.2E5 64.0992 4.2E4 64.9817 4.1E4 67.9999 6.0E4 84.9922 8.8E4 85.0028 1.4E7 93.6835 4.5E4 96.8876 8.3E4 96.8929 4.7E4 END IONS BEGIN IONS FEATURE_ID=766 PEPMASS=194.8909 SCANS=766 RTINSECONDS=317.365 CHARGE=1- MSLEVEL=2 65.9340 2.7E3 71.7091 2.6E3 80.9577 2.0E4 84.6684 2.5E3 91.9232 3.1E3 92.9206 1.9E4 96.8963 4.7E3 96.9515 1.7E5 96.9579 6.1E3 99.9171 5.6E3 104.9196 6.6E3 113.0149 2.6E3 114.9241 1.0E4 116.9185 5.7E4 117.9190 4.0E3 128.9851 5.2E3 130.9816 7.4E4 132.8579 2.6E3 148.8480 3.6E3 148.9068 4.9E3 150.9032 3.0E3 154.9807 1.2E4 159.8794 2.3E4 166.9794 5.4E3 174.9866 1.2E4 176.8495 7.9E3 176.8813 1.0E6 177.8793 8.6E4 178.8889 3.5E3 194.8540 8.4E3 194.8908 1.4E6 194.9194 6.3E3 194.9281 9.2E3 194.9931 4.9E3 195.0148 2.8E3 195.8907 1.5E5 END IONS BEGIN IONS FEATURE_ID=767 PEPMASS=191.0178 SCANS=767 RTINSECONDS=317.506 CHARGE=1- MSLEVEL=2 50.1260 2.1E3 53.9377 2.2E3 57.0334 1.5E4 69.9759 2.1E3 71.0127 2.8E3 77.4315 2.3E3 85.0278 5.6E4 87.0072 8.3E4 101.0228 7.0E3 102.9471 1.5E4 110.9961 3.3E3 110.9979 3.3E3 111.0072 2.4E5 129.0173 2.3E4 129.0543 4.2E3 141.6118 2.8E3 146.9377 6.9E3 154.9978 3.3E3 170.9878 2.6E3 173.0086 4.2E3 191.0184 3.2E4 191.0362 3.8E3 191.0551 5.6E3 END IONS BEGIN IONS FEATURE_ID=768 PEPMASS=104.0275 SCANS=768 RTINSECONDS=317.743 CHARGE=1- MSLEVEL=2 51.5409 6.3E3 60.0157 6.7E3 70.3735 4.2E3 80.4062 4.6E3 81.0038 4.3E3 86.6881 4.8E3 89.5332 4.4E3 92.0014 5.0E3 96.8877 7.5E3 102.2253 4.5E3 102.3802 5.1E3 104.0235 1.1E4 105.0249 4.6E3 111.3436 4.8E3 END IONS BEGIN IONS FEATURE_ID=769 PEPMASS=84.9973 SCANS=769 RTINSECONDS=318.012 CHARGE=1- MSLEVEL=2 55.7536 3.8E4 57.9920 5.3E5 67.3740 3.3E4 67.9998 3.5E4 69.8535 4.1E4 71.4081 3.5E4 85.0027 1.2E7 85.0134 6.4E4 END IONS BEGIN IONS FEATURE_ID=770 PEPMASS=84.9956 SCANS=770 RTINSECONDS=318.871 CHARGE=1- MSLEVEL=2 57.4783 2.8E4 57.9920 5.8E5 69.8340 3.7E4 70.2956 3.1E4 84.9922 6.4E4 85.0028 1.1E7 85.0135 7.6E4 96.8910 3.2E4 98.9204 3.0E4 99.6880 3.4E4 END IONS BEGIN IONS FEATURE_ID=771 PEPMASS=94.9819 SCANS=771 RTINSECONDS=318.875 CHARGE=1- MSLEVEL=2 62.9580 3.1E5 64.4049 2.1E3 67.0237 2.0E3 67.5606 2.2E3 73.8314 1.9E3 76.9628 4.0E4 79.9502 6.0E3 87.7457 2.3E3 94.9721 1.8E4 94.9818 2.8E5 94.9864 1.8E4 95.0165 3.1E3 95.9853 3.4E3 END IONS BEGIN IONS FEATURE_ID=772 PEPMASS=104.0291 SCANS=772 RTINSECONDS=318.889 CHARGE=1- MSLEVEL=2 51.5385 5.0E3 52.3052 4.8E3 52.7422 3.7E3 54.3692 4.1E3 55.0205 4.4E3 58.3509 3.6E3 59.8134 3.8E3 61.2033 4.9E3 62.3767 3.4E3 63.0090 3.8E3 63.8875 3.7E3 65.3729 3.8E3 66.4562 4.4E3 67.0615 4.2E3 67.2317 4.2E3 67.8390 4.2E3 71.7803 3.8E3 72.2260 4.3E3 72.2300 3.8E3 74.5453 4.2E3 75.3450 4.3E3 75.8472 5.3E3 75.9433 4.1E3 76.5864 4.3E3 76.6281 4.3E3 78.4548 4.8E3 79.7620 4.9E3 80.9642 4.3E3 81.2572 4.5E3 82.1082 4.5E3 83.3370 4.0E3 85.0785 4.3E3 85.4706 4.2E3 85.8366 4.1E3 87.9854 4.5E3 88.6119 4.4E3 88.6686 4.0E3 89.1873 4.8E3 90.0754 4.3E3 90.1516 4.0E3 91.3050 5.4E3 92.9889 3.8E3 93.4407 3.9E3 96.8877 5.7E3 99.6686 5.2E3 100.3040 4.9E3 103.6244 4.0E3 104.0242 9.8E3 107.0490 4.2E3 107.1620 4.7E3 107.2770 4.1E3 108.3626 3.8E3 109.0042 4.3E3 112.6964 4.9E3 114.9846 5.6E3 115.4053 4.1E3 117.2699 3.9E3 117.4736 4.6E3 118.2526 3.8E3 118.6019 4.5E3 120.8422 4.8E3 121.2344 4.0E3 122.5102 4.0E3 122.6354 4.7E3 124.5187 4.1E3 END IONS BEGIN IONS FEATURE_ID=773 PEPMASS=85.0057 SCANS=773 RTINSECONDS=318.984 CHARGE=1- MSLEVEL=2 54.6460 3.4E4 57.0105 3.1E4 57.9921 6.2E5 60.4853 3.5E4 67.9998 3.9E4 81.7150 3.2E4 85.0028 1.2E7 96.8896 6.0E4 END IONS BEGIN IONS FEATURE_ID=774 PEPMASS=104.0323 SCANS=774 RTINSECONDS=319.332 CHARGE=1- MSLEVEL=2 51.8263 3.6E3 60.0159 4.7E3 83.1574 4.2E3 91.7297 4.8E3 96.8885 4.7E3 104.0236 8.5E3 END IONS BEGIN IONS FEATURE_ID=775 PEPMASS=104.0277 SCANS=775 RTINSECONDS=319.49 CHARGE=1- MSLEVEL=2 52.0910 4.4E3 53.4855 4.2E3 56.1671 5.1E3 58.0552 3.9E3 59.3250 4.1E3 60.0161 4.7E3 60.1550 5.3E3 69.3676 3.9E3 95.1597 5.2E3 96.8903 6.6E3 104.0241 1.4E4 END IONS BEGIN IONS FEATURE_ID=776 PEPMASS=302.9691 SCANS=776 RTINSECONDS=319.626 CHARGE=1- MSLEVEL=2 62.9825 4.8E3 64.1921 2.3E3 84.7687 2.7E3 132.9798 2.3E4 142.9812 2.7E3 148.9923 2.8E3 152.9843 9.1E3 153.7399 2.4E3 154.9668 5.7E3 154.9800 1.9E5 154.9931 5.7E3 155.9832 8.2E3 170.9740 2.5E4 174.9693 3.1E3 174.9850 1.3E5 175.9883 4.4E3 178.9787 6.0E3 194.9732 5.3E3 194.9901 3.9E4 198.9672 4.3E4 198.9839 8.5E3 218.9716 2.5E4 218.9896 3.5E3 238.9778 1.0E4 242.9704 3.2E3 258.9824 4.7E3 282.9619 4.6E3 302.9670 2.0E4 END IONS BEGIN IONS FEATURE_ID=777 PEPMASS=192.9955 SCANS=777 RTINSECONDS=319.988 CHARGE=1- MSLEVEL=2 71.0569 2.2E3 83.3976 2.0E3 85.0028 3.1E5 108.1990 2.2E3 128.9935 2.1E3 142.6692 2.1E3 181.8015 2.3E3 193.0852 5.7E3 END IONS BEGIN IONS FEATURE_ID=778 PEPMASS=103.0131 SCANS=778 RTINSECONDS=320.875 CHARGE=1- MSLEVEL=2 53.1293 2.0E3 53.9326 2.8E3 55.7069 1.8E3 58.2133 2.2E3 59.0125 1.9E5 61.0270 2.1E3 61.5323 1.7E3 69.7237 2.2E3 76.0051 1.5E4 84.6859 2.2E3 103.0163 3.4E4 107.9796 2.4E3 END IONS BEGIN IONS FEATURE_ID=779 PEPMASS=84.9937 SCANS=779 RTINSECONDS=322.232 CHARGE=1- MSLEVEL=2 51.5412 3.5E4 57.9920 6.0E5 68.0001 6.1E4 85.0027 1.1E7 96.8879 5.0E4 END IONS BEGIN IONS FEATURE_ID=780 PEPMASS=124.9889 SCANS=780 RTINSECONDS=322.926 CHARGE=1- MSLEVEL=2 59.6910 2.2E3 61.0393 2.2E3 79.9558 6.6E4 85.5173 2.1E3 94.9790 7.5E4 96.8887 3.2E3 98.0444 2.1E3 104.1397 2.1E3 106.9790 1.9E4 109.3615 2.4E3 124.9894 1.5E5 END IONS BEGIN IONS FEATURE_ID=781 PEPMASS=84.9941 SCANS=781 RTINSECONDS=323.048 CHARGE=1- MSLEVEL=2 50.5429 3.4E4 54.3080 3.2E4 55.2576 4.0E4 55.3384 4.0E4 56.3275 3.1E4 57.9921 6.3E5 64.4914 4.2E4 71.2934 4.2E4 72.3359 3.9E4 74.7702 5.5E4 85.0028 1.2E7 85.0135 8.1E4 96.8883 7.1E4 99.3250 3.7E4 END IONS BEGIN IONS FEATURE_ID=782 PEPMASS=194.9124 SCANS=782 RTINSECONDS=323.369 CHARGE=1- MSLEVEL=2 61.9821 2.6E3 68.8432 2.6E3 78.9516 6.4E3 79.9499 9.8E3 80.0428 2.8E3 80.9578 7.8E3 86.2354 2.8E3 92.9205 1.4E4 96.8974 3.4E3 96.9199 3.8E3 96.9347 1.0E4 96.9385 2.8E4 96.9414 2.2E4 96.9515 4.1E6 96.9619 2.4E4 96.9645 2.5E4 96.9717 4.7E3 97.9507 1.3E4 99.9168 3.6E3 104.9197 7.2E3 114.9242 8.2E4 115.9107 8.9E3 116.9184 2.4E4 130.9817 9.4E4 148.9073 4.0E3 150.9048 2.9E3 154.9807 1.0E4 159.8799 7.2E3 174.9718 3.5E3 174.9870 8.2E3 176.2778 2.8E3 176.8813 4.8E5 176.9014 3.7E3 176.9052 5.8E3 177.8817 3.4E4 182.4614 3.2E3 194.8908 6.4E5 194.9108 3.8E4 194.9745 3.4E3 194.9923 5.3E3 195.8904 5.5E4 END IONS BEGIN IONS FEATURE_ID=783 PEPMASS=259.8204 SCANS=783 RTINSECONDS=324.086 CHARGE=1- MSLEVEL=2 53.9002 2.7E3 64.9691 2.3E3 86.7474 2.5E3 99.9169 3.4E4 115.9104 7.6E3 116.6727 2.6E3 120.2641 2.6E3 146.9727 2.7E3 168.9784 3.5E3 177.8750 5.6E3 177.8889 1.2E4 179.8356 1.4E4 179.8423 1.1E4 179.8684 2.0E6 179.8946 1.3E4 179.9011 1.5E4 179.9196 3.6E3 180.8447 4.8E3 180.8684 1.6E5 221.8257 2.2E4 223.8223 9.3E3 259.8203 2.5E5 260.8205 2.4E4 260.8505 4.7E3 END IONS BEGIN IONS FEATURE_ID=784 PEPMASS=191.0169 SCANS=784 RTINSECONDS=324.71 CHARGE=1- MSLEVEL=2 51.5226 2.1E3 57.0334 9.9E3 59.3861 2.0E3 60.1756 2.3E3 67.0174 3.7E3 75.8200 2.3E3 85.0279 6.6E4 87.0073 9.2E4 96.8870 2.8E3 101.0230 6.5E3 102.9474 1.4E4 111.0072 2.7E5 111.6284 2.7E3 129.0174 2.3E4 165.9495 2.5E3 173.0082 2.3E3 179.9079 2.6E3 182.5128 2.5E3 191.0186 3.1E4 191.0550 3.3E3 END IONS BEGIN IONS FEATURE_ID=785 PEPMASS=80.9153 SCANS=785 RTINSECONDS=324.982 CHARGE=1- MSLEVEL=2 55.9002 2.2E3 72.1537 2.2E3 80.9055 2.9E4 80.9075 2.5E4 80.9154 3.9E6 80.9232 1.7E4 80.9254 2.8E4 80.9282 1.0E4 END IONS BEGIN IONS FEATURE_ID=786 PEPMASS=260.9775 SCANS=786 RTINSECONDS=325.037 CHARGE=1- MSLEVEL=2 55.5124 2.8E3 66.6032 2.1E3 78.9173 3.6E4 80.9152 4.1E5 96.8884 9.8E3 115.6713 2.1E3 121.8915 2.1E3 199.4733 3.0E3 216.7775 3.3E3 END IONS BEGIN IONS FEATURE_ID=787 PEPMASS=258.9798 SCANS=787 RTINSECONDS=325.054 CHARGE=1- MSLEVEL=2 50.0706 2.0E3 55.0029 2.2E3 70.3159 2.2E3 73.9325 2.6E3 78.9174 4.4E5 80.8206 2.2E3 80.9152 4.4E3 96.8902 2.8E3 118.1353 2.5E3 128.0327 4.7E3 130.0853 5.3E3 141.6819 2.5E3 END IONS BEGIN IONS FEATURE_ID=788 PEPMASS=196.8702 SCANS=788 RTINSECONDS=325.073 CHARGE=1- MSLEVEL=2 52.0463 2.2E3 60.8393 2.6E3 80.9579 4.0E3 94.9181 2.9E3 96.8966 2.9E3 96.9515 2.1E5 96.9608 3.9E3 98.9472 1.7E5 98.9555 2.8E4 99.9169 1.5E4 104.9864 4.1E3 112.9948 3.8E3 114.9244 5.3E3 116.9015 9.8E3 116.9186 1.5E6 117.9186 1.1E5 128.9849 4.4E3 130.9816 3.2E3 134.8541 3.6E3 148.9901 3.3E3 152.8827 9.1E3 156.9781 4.2E3 162.8266 3.0E3 175.3442 2.4E3 176.6929 2.3E3 176.9678 3.5E3 176.9829 7.2E3 177.8897 1.3E4 178.8780 4.3E4 196.8703 1.4E5 196.8885 5.8E4 196.9706 8.9E3 196.9888 6.3E3 197.8704 1.0E4 197.8863 2.7E3 END IONS BEGIN IONS FEATURE_ID=789 PEPMASS=102.0082 SCANS=789 RTINSECONDS=325.457 CHARGE=1- MSLEVEL=2 62.2772 2.1E3 62.2806 1.9E3 82.3433 2.3E3 87.8860 1.8E3 96.8865 4.9E3 96.8924 4.2E3 99.9243 8.5E3 100.9242 1.7E4 101.9227 3.1E3 101.9323 2.4E4 102.0080 1.5E4 116.6605 1.9E3 116.7080 2.2E3 116.9191 7.2E4 END IONS BEGIN IONS FEATURE_ID=790 PEPMASS=134.8834 SCANS=790 RTINSECONDS=326.158 CHARGE=1- MSLEVEL=2 65.8279 2.2E3 66.9924 5.9E3 71.0073 2.7E3 86.6150 2.3E3 94.9856 2.2E3 96.8960 3.1E3 99.9170 2.9E4 111.2996 2.1E3 114.7817 2.3E3 128.1462 2.1E3 134.8549 5.1E4 134.8835 9.2E5 135.8728 2.4E3 135.8834 9.6E4 135.9592 4.7E3 END IONS BEGIN IONS FEATURE_ID=791 PEPMASS=179.8685 SCANS=791 RTINSECONDS=326.521 CHARGE=1- MSLEVEL=2 50.6544 2.0E3 51.5486 2.2E3 51.5781 2.0E3 54.5542 2.3E3 71.0069 2.6E3 80.9578 3.9E3 93.0262 2.6E3 96.9514 3.9E3 99.9170 1.9E5 99.9224 2.3E3 100.9169 1.9E4 108.9807 4.1E3 115.9108 5.7E4 116.9109 5.2E3 132.9791 3.2E3 156.8774 2.2E3 160.9735 2.6E3 161.8770 5.1E3 179.8291 2.0E3 179.8353 6.0E3 179.8438 5.1E3 179.8686 9.2E5 179.8840 3.4E4 179.9105 3.3E3 180.8287 1.3E4 180.8439 4.1E3 180.8686 9.3E4 180.8823 2.1E3 180.9758 1.0E4 180.9993 3.8E3 END IONS BEGIN IONS FEATURE_ID=792 PEPMASS=84.9966 SCANS=792 RTINSECONDS=326.975 CHARGE=1- MSLEVEL=2 57.9920 5.7E5 68.0002 6.6E4 71.7847 3.3E4 72.8196 2.9E4 85.0028 1.1E7 85.0134 6.1E4 87.6253 3.6E4 96.8905 5.5E4 98.1429 3.1E4 END IONS BEGIN IONS FEATURE_ID=793 PEPMASS=170.9777 SCANS=793 RTINSECONDS=327.312 CHARGE=1- MSLEVEL=2 57.2114 2.2E3 57.8270 2.3E3 62.3658 2.0E3 62.9799 2.7E3 62.9827 2.9E4 62.9991 2.7E4 63.0604 2.1E3 63.1724 2.2E3 69.2553 2.2E3 70.6099 2.1E3 71.0068 2.1E3 71.9927 3.1E3 75.9775 2.0E3 78.9927 4.5E3 79.6908 1.9E3 80.9822 2.2E3 86.9807 2.6E3 86.9972 4.5E3 87.6818 2.1E3 92.9874 1.0E4 97.9227 2.3E3 99.9168 1.6E4 102.9911 3.6E3 104.9867 1.8E4 106.9857 3.5E4 107.9889 2.4E3 112.8593 2.1E3 114.9241 3.4E3 115.9105 7.2E3 123.1398 2.2E3 126.8715 3.2E3 126.9906 5.9E4 127.0657 7.7E3 130.8577 9.0E3 130.9840 6.6E3 134.8539 1.5E4 136.8516 1.2E4 142.9805 1.2E4 150.9888 6.4E3 170.8197 3.2E4 170.8781 2.5E3 170.9774 5.7E4 170.9942 7.2E3 171.8189 5.5E3 171.8749 4.8E3 171.8970 5.0E3 171.9331 5.9E3 END IONS BEGIN IONS FEATURE_ID=794 PEPMASS=194.8909 SCANS=794 RTINSECONDS=327.358 CHARGE=1- MSLEVEL=2 79.9499 8.5E3 80.9579 7.1E3 81.7479 2.9E3 92.9207 2.0E4 95.7373 2.8E3 96.8969 5.2E3 96.9383 2.3E4 96.9515 3.5E6 96.9618 2.5E4 96.9643 2.7E4 96.9684 9.5E3 96.9718 5.0E3 97.9504 1.8E4 97.9559 2.9E3 99.9171 4.0E3 104.9196 6.9E3 114.9242 8.3E4 115.9109 7.3E3 116.9186 2.2E4 130.9815 8.7E4 148.9063 4.2E3 154.9805 8.1E3 159.8798 9.9E3 174.9864 1.0E4 176.8813 5.4E5 176.9052 4.7E3 177.8817 4.0E4 194.8908 6.9E5 194.9107 3.3E4 194.9749 3.2E3 194.9923 7.0E3 195.0133 3.5E3 195.8907 6.9E4 END IONS BEGIN IONS FEATURE_ID=795 PEPMASS=103.0130 SCANS=795 RTINSECONDS=327.838 CHARGE=1- MSLEVEL=2 50.2329 2.1E3 55.8985 2.6E3 59.0125 1.9E5 72.5894 1.9E3 76.0049 1.3E4 79.8592 1.7E3 88.0052 2.4E3 90.5222 2.0E3 101.9229 2.6E3 102.9308 3.1E3 103.0164 3.1E4 117.9171 1.2E4 END IONS BEGIN IONS FEATURE_ID=796 PEPMASS=84.9955 SCANS=796 RTINSECONDS=328.123 CHARGE=1- MSLEVEL=2 53.7190 2.9E4 57.9920 5.1E5 64.6191 2.8E4 67.9998 2.9E4 75.7626 3.2E4 76.3563 3.3E4 85.0028 9.1E6 85.0135 5.7E4 96.8885 5.2E4 100.3378 3.0E4 101.4021 3.3E4 END IONS BEGIN IONS FEATURE_ID=797 PEPMASS=84.9975 SCANS=797 RTINSECONDS=328.659 CHARGE=1- MSLEVEL=2 51.2523 3.6E4 54.5190 3.4E4 57.9921 6.1E5 68.0002 6.3E4 85.0028 1.2E7 89.6080 3.1E4 96.8902 5.0E4 END IONS BEGIN IONS FEATURE_ID=798 PEPMASS=134.8920 SCANS=798 RTINSECONDS=328.727 CHARGE=1- MSLEVEL=2 50.5024 2.2E3 50.7981 2.2E3 55.6360 2.0E3 62.5443 2.2E3 65.0127 2.8E3 75.1840 2.2E3 79.7228 2.3E3 96.8892 4.0E3 99.9237 7.0E3 102.0089 2.0E3 108.3447 2.4E3 109.1250 2.0E3 134.8640 4.3E4 134.8930 2.7E5 141.6009 2.1E3 END IONS BEGIN IONS FEATURE_ID=799 PEPMASS=96.9580 SCANS=799 RTINSECONDS=328.754 CHARGE=1- MSLEVEL=2 50.4623 2.4E3 51.4252 2.0E3 74.8198 2.7E3 78.9572 1.0E4 79.9558 3.9E4 87.4509 2.1E3 90.7864 2.3E3 92.1956 2.4E3 96.8863 2.8E3 96.8922 2.0E3 96.9586 8.3E5 97.5552 2.4E3 END IONS BEGIN IONS FEATURE_ID=800 PEPMASS=116.9264 SCANS=800 RTINSECONDS=328.806 CHARGE=1- MSLEVEL=2 51.6535 2.0E3 58.8051 2.1E3 63.1093 2.0E3 65.0131 3.5E3 73.0281 8.2E3 90.0081 1.9E4 90.0164 9.1E3 96.8880 2.7E3 99.9241 1.0E5 108.4612 2.1E3 113.3944 2.3E3 114.8278 2.1E3 116.9181 6.2E3 116.9270 5.7E5 117.0191 2.3E4 117.0272 1.1E4 END IONS BEGIN IONS FEATURE_ID=801 PEPMASS=115.9186 SCANS=801 RTINSECONDS=329.039 CHARGE=1- MSLEVEL=2 51.5162 2.4E3 65.0130 2.1E4 65.3459 2.1E3 89.0129 2.7E5 96.8896 3.2E3 99.9243 1.0E4 109.8226 2.1E3 115.9188 3.2E4 116.0238 2.7E5 116.9269 4.1E3 134.5698 2.1E3 END IONS BEGIN IONS FEATURE_ID=802 PEPMASS=84.9941 SCANS=802 RTINSECONDS=329.047 CHARGE=1- MSLEVEL=2 52.4174 3.3E4 57.9920 4.5E5 74.0517 4.1E4 85.0027 9.3E6 96.8881 6.0E4 END IONS BEGIN IONS FEATURE_ID=803 PEPMASS=144.9214 SCANS=803 RTINSECONDS=329.061 CHARGE=1- MSLEVEL=2 57.4745 1.9E3 63.8022 1.9E3 68.3577 2.1E3 74.6137 2.7E3 94.8857 2.2E3 96.8906 3.5E3 100.9321 2.4E4 115.9190 1.1E5 END IONS BEGIN IONS FEATURE_ID=804 PEPMASS=100.9319 SCANS=804 RTINSECONDS=329.073 CHARGE=1- MSLEVEL=2 58.8525 2.2E3 59.1235 2.3E3 62.5772 2.0E3 79.5656 2.1E3 86.4340 2.3E3 96.8895 3.9E3 99.9240 1.8E5 100.9247 8.6E3 100.9318 2.4E5 100.9973 2.3E3 101.9235 2.4E3 115.5059 2.5E3 115.9190 9.4E5 115.9361 5.3E3 116.9270 1.2E4 END IONS BEGIN IONS FEATURE_ID=805 PEPMASS=191.0178 SCANS=805 RTINSECONDS=329.287 CHARGE=1- MSLEVEL=2 57.0334 1.7E4 59.0123 2.8E3 60.4657 2.8E3 63.0169 2.1E3 63.8193 2.2E3 67.0175 2.4E3 71.0121 2.9E3 85.0279 6.6E4 87.0072 1.1E5 96.8887 3.2E3 99.0068 3.3E3 101.0232 2.9E3 102.9473 1.8E4 111.0073 3.0E5 129.0176 2.1E4 130.9968 2.6E3 146.9369 3.2E3 147.0283 4.3E3 159.9032 2.2E3 173.0077 5.5E3 191.0194 3.1E4 191.0363 5.1E3 191.0552 4.0E3 192.0263 2.2E3 END IONS BEGIN IONS FEATURE_ID=806 PEPMASS=104.0295 SCANS=806 RTINSECONDS=329.62 CHARGE=1- MSLEVEL=2 50.2985 5.2E3 56.7561 4.1E3 57.4656 4.1E3 76.3234 5.4E3 78.6888 4.4E3 94.7852 4.2E3 104.0244 1.2E4 END IONS BEGIN IONS FEATURE_ID=807 PEPMASS=251.0748 SCANS=807 RTINSECONDS=331.693 CHARGE=1- MSLEVEL=2 54.9887 2.3E3 59.0125 3.3E4 69.1075 2.3E3 71.0123 2.8E4 73.0278 2.5E3 85.0278 5.2E3 89.0229 1.3E5 96.8906 4.8E3 97.5635 2.4E3 99.9869 2.0E3 101.0230 1.9E4 104.1579 2.3E3 107.7363 2.5E3 113.0228 1.1E4 117.4809 2.8E3 119.0333 1.1E4 131.0332 3.8E3 143.0341 3.4E3 251.0397 2.5E3 251.0458 4.2E3 251.0767 2.0E5 END IONS BEGIN IONS FEATURE_ID=808 PEPMASS=133.0121 SCANS=808 RTINSECONDS=331.842 CHARGE=1- MSLEVEL=2 55.4549 2.3E3 56.2226 2.1E3 56.6949 2.2E3 59.0124 2.8E3 61.8001 2.2E3 63.6845 2.0E3 71.0124 2.1E5 72.6040 3.4E3 72.6075 3.3E3 72.9913 3.9E4 80.1873 2.2E3 82.6242 2.7E3 87.0074 3.7E3 89.0227 2.4E4 91.8891 2.2E3 96.8859 9.2E3 96.8926 6.0E3 99.8397 2.5E3 115.0021 3.7E5 132.8662 2.6E4 132.8990 2.6E3 133.0129 7.6E4 133.0370 2.2E3 END IONS BEGIN IONS FEATURE_ID=809 PEPMASS=116.9185 SCANS=809 RTINSECONDS=331.905 CHARGE=1- MSLEVEL=2 73.0229 1.2E4 96.8946 3.0E3 99.9170 3.7E5 100.9170 3.2E4 101.7415 2.3E3 116.9011 1.2E4 116.9047 7.6E3 116.9186 1.9E6 116.9319 1.2E4 116.9358 1.4E4 116.9857 3.7E3 117.0189 3.2E3 117.9185 1.8E5 118.0198 5.7E3 118.0309 2.6E3 134.4146 2.3E3 END IONS BEGIN IONS FEATURE_ID=810 PEPMASS=213.8636 SCANS=810 RTINSECONDS=331.905 CHARGE=1- MSLEVEL=2 68.5451 2.4E3 73.8351 2.0E3 96.8960 3.0E3 99.9169 3.7E3 116.9185 3.1E3 159.8796 6.3E4 160.8797 6.9E3 166.9795 3.5E3 175.8945 1.8E4 177.8891 9.8E5 177.9206 5.3E3 178.8890 9.6E4 178.9050 2.7E3 194.9716 4.4E3 197.8413 9.0E3 213.8638 7.3E3 214.8432 7.6E3 214.9974 4.3E3 END IONS BEGIN IONS FEATURE_ID=811 PEPMASS=192.9969 SCANS=811 RTINSECONDS=332.053 CHARGE=1- MSLEVEL=2 57.9920 2.7E3 60.9942 2.6E3 84.9891 3.5E3 85.0028 1.1E6 85.0116 3.4E3 85.0135 9.1E3 90.9320 2.5E3 96.8887 3.6E3 132.5180 2.0E3 185.5491 2.3E3 192.9125 2.4E3 193.0861 7.6E3 END IONS BEGIN IONS FEATURE_ID=812 PEPMASS=492.1815 SCANS=812 RTINSECONDS=332.773 CHARGE=1- MSLEVEL=2 60.1052 2.6E3 70.0357 2.9E3 84.0438 3.4E3 84.9211 2.7E3 88.0388 3.2E3 89.0231 1.5E4 96.8910 3.5E3 102.0546 2.0E4 102.0698 2.9E3 112.8498 2.7E3 116.0703 5.0E3 124.0392 6.3E3 128.0335 7.8E4 129.1018 1.0E4 138.7610 2.7E3 138.7719 2.7E3 141.0651 4.5E3 142.0499 1.7E4 146.0442 2.6E4 159.0760 2.7E3 160.0602 7.7E4 199.0717 1.8E4 245.1147 1.4E4 289.0574 4.0E3 289.0657 4.9E3 289.1043 2.7E5 290.5590 2.6E3 316.3584 2.8E3 347.2726 3.4E3 446.0067 3.2E3 492.1843 5.1E4 END IONS BEGIN IONS FEATURE_ID=813 PEPMASS=85.0056 SCANS=813 RTINSECONDS=333.931 CHARGE=1- MSLEVEL=2 51.5116 3.1E4 57.9921 4.7E5 65.9467 2.9E4 66.5159 2.7E4 68.0003 4.0E4 71.9472 3.1E4 85.0028 9.7E6 85.0132 5.6E4 95.1754 3.0E4 96.8894 4.2E4 100.2445 2.7E4 END IONS BEGIN IONS FEATURE_ID=814 PEPMASS=217.0289 SCANS=814 RTINSECONDS=334.845 CHARGE=1- MSLEVEL=2 56.7137 2.2E3 65.0731 2.4E3 67.7834 2.0E3 68.6564 2.4E3 71.3791 2.4E3 89.0230 2.6E3 96.8865 2.6E3 96.8917 2.3E3 96.9583 6.6E3 127.6398 2.2E3 143.1192 2.6E3 174.9925 2.6E3 187.1086 5.6E3 201.2108 2.1E3 210.2644 2.1E3 END IONS BEGIN IONS FEATURE_ID=815 PEPMASS=215.0321 SCANS=815 RTINSECONDS=334.85 CHARGE=1- MSLEVEL=2 51.5343 2.1E3 54.6052 2.2E3 57.5654 2.1E3 59.0124 1.2E4 60.9371 2.6E3 61.6497 2.0E3 62.7903 2.2E3 65.4111 2.2E3 71.0126 8.8E3 78.4292 2.4E3 89.0230 8.9E3 96.8864 4.1E3 96.8923 4.7E3 101.0232 3.8E3 119.0335 2.5E3 159.1334 2.1E3 215.0112 4.3E3 215.0324 7.9E3 END IONS BEGIN IONS FEATURE_ID=816 PEPMASS=85.0119 SCANS=816 RTINSECONDS=334.978 CHARGE=1- MSLEVEL=2 57.9920 5.7E5 85.0028 1.1E7 96.8902 4.4E4 END IONS BEGIN IONS FEATURE_ID=817 PEPMASS=101.0223 SCANS=817 RTINSECONDS=335.037 CHARGE=1- MSLEVEL=2 55.0172 9.4E3 57.0329 2.6E3 71.9108 2.0E3 72.7387 2.2E3 80.7735 3.0E3 83.4347 2.2E3 90.7071 2.1E3 96.8868 2.5E3 99.9241 1.0E5 100.9248 4.5E3 100.9319 1.3E5 100.9415 2.5E3 108.9343 2.1E3 115.9191 5.1E5 116.4244 2.2E3 116.9269 7.7E3 END IONS BEGIN IONS FEATURE_ID=818 PEPMASS=113.0223 SCANS=818 RTINSECONDS=335.069 CHARGE=1- MSLEVEL=2 51.5143 2.3E3 57.0331 7.1E3 68.9942 6.0E4 74.0516 2.6E3 84.0200 5.6E3 84.9892 4.0E3 85.0027 4.1E3 85.0278 3.3E4 87.8383 2.0E3 95.9464 1.9E3 96.8862 2.5E3 96.8920 2.7E3 112.9851 4.1E3 112.9975 1.8E4 113.0231 5.2E3 118.0844 2.1E3 127.7977 2.3E3 END IONS BEGIN IONS FEATURE_ID=819 PEPMASS=225.0610 SCANS=819 RTINSECONDS=335.102 CHARGE=1- MSLEVEL=2 50.2972 2.1E3 51.5184 3.5E3 59.0124 7.4E4 59.0162 4.1E3 71.0124 4.0E4 85.0279 6.4E3 89.0229 5.8E4 95.0122 4.9E3 101.0227 3.0E4 101.5864 2.0E3 103.5788 2.1E3 104.7874 2.3E3 113.0229 1.7E4 119.0334 2.6E4 122.5183 2.3E3 128.0173 2.4E3 179.0545 4.0E3 194.9984 2.3E3 202.9247 2.4E3 203.0837 2.1E3 223.5243 2.3E3 END IONS BEGIN IONS FEATURE_ID=820 PEPMASS=179.0548 SCANS=820 RTINSECONDS=335.121 CHARGE=1- MSLEVEL=2 56.7110 2.5E3 58.0049 8.2E3 59.0126 4.2E5 71.0124 2.8E5 72.9915 1.3E4 73.0279 3.7E3 75.0071 1.7E4 77.0782 2.4E3 83.0128 5.9E3 85.0278 3.3E4 86.2814 2.5E3 87.0073 4.6E3 89.0228 1.2E5 95.0122 1.2E4 96.8910 3.1E3 101.0229 4.6E4 113.0227 4.4E4 119.0334 1.4E4 161.0449 2.7E3 173.2828 2.2E3 179.0548 1.8E4 END IONS BEGIN IONS FEATURE_ID=821 PEPMASS=161.0434 SCANS=821 RTINSECONDS=335.127 CHARGE=1- MSLEVEL=2 57.0333 1.2E4 59.0122 2.5E4 71.0124 1.3E5 71.0174 3.7E3 73.0277 1.3E4 73.5735 2.0E3 83.0125 2.5E3 85.0278 9.4E4 87.0072 5.2E3 89.0232 3.5E3 95.0120 4.1E4 96.8882 2.8E3 101.0226 8.1E3 107.7557 2.4E3 107.8875 2.5E3 113.0226 6.5E4 118.0027 2.8E3 142.7538 2.1E3 149.2286 2.0E3 160.8545 2.1E3 END IONS BEGIN IONS FEATURE_ID=822 PEPMASS=143.0335 SCANS=822 RTINSECONDS=335.128 CHARGE=1- MSLEVEL=2 51.5213 2.0E3 58.0138 2.1E3 68.6107 2.1E3 69.0329 5.7E3 71.0123 1.4E4 72.9922 2.4E3 73.0280 3.1E3 81.0332 2.5E3 85.0277 1.9E4 87.0070 1.4E4 90.3551 2.2E3 96.8867 3.0E3 96.8920 3.3E3 97.0274 3.6E3 113.9247 3.0E3 116.0244 7.2E3 143.0230 1.0E4 143.0348 1.6E4 END IONS BEGIN IONS FEATURE_ID=823 PEPMASS=89.0223 SCANS=823 RTINSECONDS=335.131 CHARGE=1- MSLEVEL=2 51.5360 2.5E3 52.0322 1.9E3 59.0122 4.0E4 62.0024 7.4E3 71.0123 1.1E4 72.9913 3.7E3 80.1807 2.3E3 85.9331 1.9E3 89.0127 6.1E4 89.0230 9.2E3 96.8886 4.6E3 98.3124 2.6E3 100.8206 2.1E3 END IONS BEGIN IONS FEATURE_ID=824 PEPMASS=179.0539 SCANS=824 RTINSECONDS=335.451 CHARGE=1- MSLEVEL=2 50.4026 2.3E3 53.3032 2.1E3 55.0178 2.5E3 55.2793 2.0E3 57.0332 3.0E3 58.0046 8.2E3 59.0126 4.0E5 71.0124 2.6E5 72.9913 1.1E4 75.0070 5.7E3 83.0124 7.2E3 85.0279 3.2E4 87.0075 4.9E3 89.0228 1.2E5 95.0119 1.1E4 96.8876 7.6E3 96.8932 2.6E3 101.0227 4.8E4 103.8395 2.6E3 107.3924 2.0E3 113.0228 3.5E4 119.0333 1.6E4 179.0560 6.9E3 192.6533 2.5E3 END IONS BEGIN IONS FEATURE_ID=825 PEPMASS=104.0296 SCANS=825 RTINSECONDS=335.478 CHARGE=1- MSLEVEL=2 57.9623 3.9E3 58.9087 4.0E3 70.6676 4.7E3 76.2304 4.0E3 76.7125 4.8E3 80.7265 4.4E3 87.1068 4.1E3 96.8875 7.7E3 104.0236 1.4E4 105.1999 4.6E3 END IONS BEGIN IONS FEATURE_ID=826 PEPMASS=84.9998 SCANS=826 RTINSECONDS=337.501 CHARGE=1- MSLEVEL=2 51.8030 2.8E4 53.7055 2.9E4 55.1936 2.7E4 57.2028 2.6E4 57.9920 5.4E5 60.4521 3.4E4 68.0005 3.6E4 85.0028 1.0E7 88.8821 3.0E4 96.8886 3.8E4 END IONS BEGIN IONS FEATURE_ID=827 PEPMASS=192.9978 SCANS=827 RTINSECONDS=338.537 CHARGE=1- MSLEVEL=2 56.4743 5.0E3 57.9920 1.2E4 76.7275 5.1E3 84.9921 2.2E4 84.9946 9.9E3 85.0029 3.1E6 85.0135 2.0E4 85.0196 7.1E3 89.1410 4.4E3 96.8905 1.1E4 102.8761 4.8E3 130.8872 4.9E3 197.6515 4.6E3 END IONS BEGIN IONS FEATURE_ID=828 PEPMASS=84.9975 SCANS=828 RTINSECONDS=339.674 CHARGE=1- MSLEVEL=2 57.9920 3.3E5 66.2318 1.9E4 74.5405 2.4E4 85.0028 6.2E6 85.0133 4.0E4 96.8880 3.0E4 END IONS BEGIN IONS FEATURE_ID=829 PEPMASS=211.0076 SCANS=829 RTINSECONDS=341.151 CHARGE=1- MSLEVEL=2 59.0126 1.3E4 75.4662 1.9E3 85.0027 2.3E5 96.8906 3.0E3 103.0132 5.2E3 110.3717 2.3E3 160.5958 2.2E3 207.9493 2.2E3 END IONS BEGIN IONS FEATURE_ID=830 PEPMASS=192.9976 SCANS=830 RTINSECONDS=342.546 CHARGE=1- MSLEVEL=2 57.9923 9.1E3 58.1629 4.0E3 60.4494 4.5E3 63.8045 4.0E3 84.9921 2.1E4 84.9945 1.3E4 85.0028 3.1E6 85.0134 2.1E4 85.0291 4.5E3 96.8892 4.1E3 147.2333 4.4E3 151.7933 4.1E3 168.2564 5.4E3 193.0857 8.4E3 202.2379 4.4E3 END IONS BEGIN IONS FEATURE_ID=831 PEPMASS=85.0000 SCANS=831 RTINSECONDS=343.609 CHARGE=1- MSLEVEL=2 51.0010 2.5E4 51.9002 2.8E4 55.3331 2.6E4 57.9920 4.5E5 58.3044 2.7E4 68.0000 3.5E4 84.3863 2.7E4 85.0027 8.4E6 85.0134 4.1E4 96.8871 3.2E4 END IONS BEGIN IONS FEATURE_ID=832 PEPMASS=104.0295 SCANS=832 RTINSECONDS=345.138 CHARGE=1- MSLEVEL=2 50.5089 3.5E3 51.8063 3.7E3 60.1323 3.9E3 96.7626 4.1E3 104.0235 8.7E3 END IONS BEGIN IONS FEATURE_ID=833 PEPMASS=104.0270 SCANS=833 RTINSECONDS=345.279 CHARGE=1- MSLEVEL=2 51.5243 4.1E3 58.8632 3.7E3 64.0052 5.3E3 96.8911 3.8E3 100.5265 3.9E3 104.0234 1.1E4 105.4562 4.0E3 121.6458 3.9E3 122.5234 3.7E3 END IONS BEGIN IONS FEATURE_ID=834 PEPMASS=104.0317 SCANS=834 RTINSECONDS=345.635 CHARGE=1- MSLEVEL=2 50.1254 3.7E3 51.1880 4.1E3 74.9012 3.9E3 83.4881 3.9E3 86.9723 4.2E3 88.2523 4.2E3 89.8375 3.9E3 96.8876 4.9E3 101.0193 4.4E3 104.0244 4.7E3 END IONS BEGIN IONS FEATURE_ID=835 PEPMASS=211.0077 SCANS=835 RTINSECONDS=346.089 CHARGE=1- MSLEVEL=2 51.5128 3.1E3 59.0125 1.2E4 61.1329 2.1E3 74.2997 2.4E3 85.0027 3.0E5 94.5668 2.2E3 96.8885 3.5E3 103.0131 1.2E4 106.5465 2.4E3 118.7687 2.0E3 147.7342 2.0E3 170.9868 2.7E3 199.8263 2.3E3 END IONS BEGIN IONS FEATURE_ID=836 PEPMASS=248.9588 SCANS=836 RTINSECONDS=346.183 CHARGE=1- MSLEVEL=2 51.5192 2.6E3 52.0346 2.2E3 54.8722 2.2E3 56.3103 2.1E3 62.5530 2.2E3 66.4023 2.1E3 75.3185 2.1E3 94.4109 2.4E3 96.8895 3.5E3 112.9840 1.8E5 135.4652 2.2E3 149.3654 2.8E3 185.5237 2.4E3 END IONS BEGIN IONS FEATURE_ID=837 PEPMASS=84.9940 SCANS=837 RTINSECONDS=346.423 CHARGE=1- MSLEVEL=2 51.5234 3.0E4 55.2832 2.8E4 57.9921 4.0E5 67.9999 3.2E4 77.6493 2.9E4 85.0028 8.9E6 85.0136 5.3E4 96.8882 4.5E4 96.9030 3.0E4 100.0886 3.0E4 END IONS BEGIN IONS FEATURE_ID=838 PEPMASS=85.0118 SCANS=838 RTINSECONDS=347.806 CHARGE=1- MSLEVEL=2 56.1014 3.1E4 57.4043 3.4E4 57.9921 6.1E5 66.0594 3.2E4 67.9998 4.1E4 84.9924 6.3E4 84.9938 3.7E4 85.0028 1.3E7 96.8871 4.3E4 END IONS BEGIN IONS FEATURE_ID=839 PEPMASS=85.0059 SCANS=839 RTINSECONDS=347.896 CHARGE=1- MSLEVEL=2 56.8577 3.9E4 57.9922 5.3E5 61.3181 4.0E4 64.2411 4.2E4 65.0895 4.3E4 85.0029 1.2E7 96.8892 5.4E4 99.6708 4.2E4 END IONS BEGIN IONS FEATURE_ID=840 PEPMASS=84.9954 SCANS=840 RTINSECONDS=348.856 CHARGE=1- MSLEVEL=2 51.8277 2.5E4 57.9920 4.0E5 59.9765 2.5E4 64.7800 2.3E4 65.4055 2.4E4 68.0005 2.8E4 68.3344 2.9E4 84.3350 2.7E4 85.0027 7.5E6 94.9119 3.0E4 END IONS BEGIN IONS FEATURE_ID=841 PEPMASS=104.0321 SCANS=841 RTINSECONDS=349.425 CHARGE=1- MSLEVEL=2 59.3445 3.8E3 64.1523 3.4E3 66.1091 3.9E3 71.4467 4.1E3 75.2008 3.9E3 89.5581 3.7E3 96.8910 4.5E3 104.0244 7.2E3 116.5304 3.8E3 END IONS BEGIN IONS FEATURE_ID=842 PEPMASS=84.9976 SCANS=842 RTINSECONDS=349.747 CHARGE=1- MSLEVEL=2 55.1610 2.9E4 56.3519 3.0E4 57.9921 4.2E5 61.3404 3.3E4 61.4226 2.9E4 66.2569 3.7E4 68.0001 4.5E4 73.1942 4.2E4 85.0028 9.2E6 87.7370 3.5E4 96.8875 9.5E4 96.8932 7.2E4 103.0257 2.8E4 END IONS BEGIN IONS FEATURE_ID=843 PEPMASS=359.1188 SCANS=843 RTINSECONDS=350.079 CHARGE=1- MSLEVEL=2 51.3142 2.4E3 51.5273 2.6E3 59.0122 2.7E4 60.2297 2.6E3 71.0122 2.3E4 73.2264 4.3E3 78.9190 2.2E3 85.0278 2.9E3 89.0228 2.8E4 91.7916 2.7E3 96.8906 1.1E4 101.0229 1.5E4 113.0228 1.0E4 119.0336 1.0E4 128.9769 2.2E3 131.0334 2.5E3 151.0597 1.2E4 153.6461 2.4E3 161.0451 3.0E3 171.3092 2.4E3 179.0545 1.3E4 313.1141 8.8E4 END IONS BEGIN IONS FEATURE_ID=844 PEPMASS=313.1138 SCANS=844 RTINSECONDS=350.118 CHARGE=1- MSLEVEL=2 59.0123 7.6E4 59.7116 2.5E3 71.0123 4.7E4 73.0280 3.0E3 85.0281 9.6E3 89.0228 8.0E4 95.0120 4.1E3 96.8877 3.5E3 101.0227 3.7E4 113.0226 2.3E4 119.0328 3.3E4 125.8471 2.1E3 131.0334 6.3E3 140.0773 2.1E3 143.0337 9.5E3 149.0435 4.4E3 151.0597 2.9E4 161.0444 9.7E3 166.4887 2.3E3 176.0247 2.5E3 176.2606 2.5E3 179.0542 3.5E4 313.1143 6.6E4 END IONS BEGIN IONS FEATURE_ID=845 PEPMASS=104.0272 SCANS=845 RTINSECONDS=351.796 CHARGE=1- MSLEVEL=2 69.0384 3.0E3 69.5758 3.3E3 70.4960 4.0E3 96.8132 3.4E3 96.8902 5.5E3 104.0245 8.3E3 110.2514 3.5E3 END IONS BEGIN IONS FEATURE_ID=846 PEPMASS=104.0295 SCANS=846 RTINSECONDS=352.618 CHARGE=1- MSLEVEL=2 50.0279 3.7E3 65.9468 4.2E3 71.9740 3.8E3 76.3621 3.9E3 80.6185 3.6E3 86.9579 3.9E3 96.8898 6.5E3 98.1532 3.8E3 104.0238 1.1E4 END IONS BEGIN IONS FEATURE_ID=847 PEPMASS=112.9843 SCANS=847 RTINSECONDS=352.622 CHARGE=1- MSLEVEL=2 50.5846 9.9E3 53.2337 1.2E4 56.5436 9.9E3 57.3298 9.7E3 58.6775 9.2E3 59.5219 9.4E3 60.5290 1.1E4 66.5777 9.5E3 68.9943 1.9E4 80.3118 1.2E4 84.9892 3.5E4 89.3141 1.0E4 96.8869 1.3E4 112.9981 1.3E4 END IONS BEGIN IONS FEATURE_ID=848 PEPMASS=248.9589 SCANS=848 RTINSECONDS=352.666 CHARGE=1- MSLEVEL=2 51.5428 2.6E3 60.4925 2.5E3 84.5194 2.4E3 96.8867 3.0E3 96.8917 4.2E3 108.9036 2.0E3 112.9839 4.1E5 124.5953 2.7E3 130.9070 2.2E3 217.7057 2.6E3 227.0032 2.3E3 END IONS BEGIN IONS FEATURE_ID=849 PEPMASS=180.9706 SCANS=849 RTINSECONDS=352.713 CHARGE=1- MSLEVEL=2 51.5242 2.0E3 60.9444 2.0E3 63.4769 2.1E3 64.4928 2.2E3 69.0537 2.0E3 87.1108 2.1E3 87.5915 2.1E3 96.8886 3.4E3 97.5028 2.2E3 112.9839 1.9E5 146.3769 2.2E3 163.8423 2.1E3 166.6379 2.4E3 197.0650 2.2E3 END IONS BEGIN IONS FEATURE_ID=850 PEPMASS=316.9479 SCANS=850 RTINSECONDS=352.752 CHARGE=1- MSLEVEL=2 58.8539 2.7E3 59.5735 2.3E3 71.9681 2.7E3 81.7464 2.3E3 96.8890 3.1E3 111.0285 2.4E3 112.9841 2.8E5 112.9939 3.9E3 112.9954 3.0E3 124.0538 2.3E3 140.9859 2.5E3 180.9721 2.4E4 248.9608 9.8E3 256.1161 2.5E3 278.5887 3.2E3 END IONS BEGIN IONS FEATURE_ID=851 PEPMASS=113.9866 SCANS=851 RTINSECONDS=352.783 CHARGE=1- MSLEVEL=2 51.8541 2.1E3 52.7628 2.0E3 53.4171 1.7E3 58.7131 2.1E3 68.7267 2.0E3 72.0078 3.1E3 96.8858 2.1E3 96.8913 2.5E3 98.3481 1.7E3 114.0181 4.2E3 114.3066 2.0E3 118.4524 2.3E3 END IONS BEGIN IONS FEATURE_ID=852 PEPMASS=112.9760 SCANS=852 RTINSECONDS=352.797 CHARGE=1- MSLEVEL=2 50.3800 1.9E3 51.4284 2.5E3 55.7657 2.2E3 68.9836 3.3E3 68.9892 1.8E5 68.9946 2.8E3 71.0070 2.8E3 84.9829 8.6E3 92.1112 2.4E3 92.9876 6.2E3 96.8949 2.7E3 101.7949 2.2E3 112.9759 8.5E3 113.9167 3.8E3 114.0101 2.4E3 END IONS BEGIN IONS FEATURE_ID=853 PEPMASS=85.9990 SCANS=853 RTINSECONDS=352.814 CHARGE=1- MSLEVEL=2 57.9922 7.0E3 58.9953 4.0E3 63.9451 1.8E3 67.8787 2.3E3 83.5773 2.0E3 85.9999 6.4E4 86.0060 2.2E5 92.9515 2.2E3 96.8852 3.9E3 96.8909 5.2E3 END IONS BEGIN IONS FEATURE_ID=854 PEPMASS=103.0159 SCANS=854 RTINSECONDS=352.834 CHARGE=1- MSLEVEL=2 56.1794 2.0E3 58.5212 2.1E3 59.0124 1.1E5 59.7383 2.0E3 66.2669 2.0E3 72.0706 2.3E3 76.0051 1.1E4 78.5829 1.8E3 96.8874 2.9E3 98.9584 2.4E3 103.0160 3.6E4 103.0285 2.6E3 117.9173 3.0E3 END IONS BEGIN IONS FEATURE_ID=855 PEPMASS=384.9341 SCANS=855 RTINSECONDS=352.934 CHARGE=1- MSLEVEL=2 50.7830 2.1E3 60.7189 2.2E3 72.7540 5.0E3 75.4598 2.4E3 96.8893 1.8E4 112.9839 1.2E5 116.6248 2.6E3 134.0468 2.7E3 135.6272 2.3E3 180.9711 8.3E3 239.9759 2.5E3 248.9603 1.6E4 END IONS BEGIN IONS FEATURE_ID=856 PEPMASS=316.9249 SCANS=856 RTINSECONDS=353.028 CHARGE=1- MSLEVEL=2 66.8688 2.4E3 68.6141 2.2E3 70.9177 2.2E3 95.9174 2.5E3 96.8951 3.2E3 108.0219 2.2E3 112.9759 5.2E5 113.9794 5.5E3 114.0400 3.1E3 150.3099 2.4E3 180.9586 2.7E4 225.1365 2.6E3 248.9426 1.2E4 256.9637 3.1E3 287.4625 2.3E3 316.9608 2.8E3 END IONS BEGIN IONS FEATURE_ID=857 PEPMASS=248.9421 SCANS=857 RTINSECONDS=353.164 CHARGE=1- MSLEVEL=2 84.7717 2.2E3 85.6708 2.3E3 96.8940 5.4E3 99.2144 2.3E3 111.3958 2.7E3 112.9759 4.5E5 113.9791 7.4E3 116.9856 3.7E3 180.9789 2.7E3 188.9818 6.1E3 208.9881 4.1E3 228.9740 3.5E3 248.9792 6.8E3 END IONS BEGIN IONS FEATURE_ID=858 PEPMASS=452.9205 SCANS=858 RTINSECONDS=353.166 CHARGE=1- MSLEVEL=2 78.8882 2.2E3 79.0493 2.3E3 96.8895 3.9E3 112.9840 1.3E5 116.4557 3.0E3 121.5489 2.5E3 180.9711 1.4E4 212.0485 2.8E3 228.8296 2.7E3 248.9598 3.9E4 316.9479 1.3E4 334.9605 3.5E3 END IONS BEGIN IONS FEATURE_ID=859 PEPMASS=152.9898 SCANS=859 RTINSECONDS=353.717 CHARGE=1- MSLEVEL=2 50.9460 2.2E3 85.0027 3.1E5 87.1138 2.7E3 88.6380 2.5E3 96.8876 2.3E3 122.9492 2.4E3 126.0083 7.0E3 END IONS BEGIN IONS FEATURE_ID=860 PEPMASS=84.9956 SCANS=860 RTINSECONDS=355.902 CHARGE=1- MSLEVEL=2 53.7451 2.7E4 54.3161 2.2E4 54.9970 2.4E4 57.9920 4.2E5 61.7208 2.4E4 64.0948 2.2E4 68.0000 2.7E4 74.5844 3.1E4 84.9920 4.8E4 85.0028 8.2E6 85.0133 5.1E4 96.8896 3.0E4 END IONS BEGIN IONS FEATURE_ID=861 PEPMASS=84.9937 SCANS=861 RTINSECONDS=356.132 CHARGE=1- MSLEVEL=2 57.9920 6.3E5 68.0000 5.4E4 85.0028 1.2E7 85.0135 8.6E4 END IONS BEGIN IONS FEATURE_ID=862 PEPMASS=85.0119 SCANS=862 RTINSECONDS=356.788 CHARGE=1- MSLEVEL=2 55.8117 2.7E4 57.9921 5.2E5 60.9459 3.0E4 62.6438 2.7E4 68.0006 3.1E4 71.9525 2.7E4 85.0029 9.4E6 END IONS BEGIN IONS FEATURE_ID=863 PEPMASS=84.9976 SCANS=863 RTINSECONDS=356.884 CHARGE=1- MSLEVEL=2 50.5941 1.5E4 52.8309 1.8E4 57.9920 2.3E5 61.4935 1.5E4 67.6097 1.6E4 80.8250 1.5E4 85.0028 4.7E6 85.0132 3.3E4 85.4839 1.6E4 85.9474 1.7E4 87.0695 1.9E4 87.1207 1.7E4 96.8898 1.9E4 97.9636 1.5E4 END IONS BEGIN IONS FEATURE_ID=864 PEPMASS=84.9988 SCANS=864 RTINSECONDS=357.963 CHARGE=1- MSLEVEL=2 53.7451 2.7E4 54.3161 2.2E4 54.9970 2.4E4 57.9920 4.2E5 61.7208 2.4E4 64.0948 2.2E4 68.0000 2.7E4 74.5844 3.1E4 84.9920 4.8E4 85.0028 8.2E6 85.0133 5.1E4 96.8896 3.0E4 END IONS BEGIN IONS FEATURE_ID=865 PEPMASS=85.0062 SCANS=865 RTINSECONDS=358.155 CHARGE=1- MSLEVEL=2 50.4667 3.7E4 57.9921 4.9E5 68.0002 3.6E4 82.9913 3.8E4 85.0028 1.0E7 85.0135 5.2E4 93.5804 4.2E4 96.8851 5.1E4 96.8906 6.5E4 END IONS BEGIN IONS FEATURE_ID=866 PEPMASS=104.0271 SCANS=866 RTINSECONDS=358.304 CHARGE=1- MSLEVEL=2 57.2738 5.5E3 57.7104 4.9E3 61.8619 5.2E3 69.5214 6.2E3 71.4816 5.2E3 77.3251 4.9E3 96.8897 8.0E3 104.0234 1.7E4 110.3187 5.2E3 END IONS BEGIN IONS FEATURE_ID=867 PEPMASS=104.0317 SCANS=867 RTINSECONDS=359.508 CHARGE=1- MSLEVEL=2 51.5128 4.1E3 51.8327 3.9E3 79.8118 3.8E3 96.8857 3.8E3 96.8912 4.2E3 104.0239 1.1E4 END IONS BEGIN IONS FEATURE_ID=868 PEPMASS=85.0031 SCANS=868 RTINSECONDS=359.8 CHARGE=1- MSLEVEL=2 57.9920 4.9E5 68.0000 3.7E4 70.1450 3.4E4 76.5512 3.7E4 84.9920 7.4E4 85.0027 9.9E6 90.3288 3.6E4 END IONS BEGIN IONS FEATURE_ID=869 PEPMASS=86.0055 SCANS=869 RTINSECONDS=359.8 CHARGE=1- MSLEVEL=2 57.9922 7.0E3 58.9953 4.0E3 63.9451 1.8E3 67.8787 2.3E3 83.5773 2.0E3 85.9999 6.4E4 86.0060 2.2E5 92.9515 2.2E3 96.8852 3.9E3 96.8909 5.2E3 END IONS BEGIN IONS FEATURE_ID=870 PEPMASS=103.0130 SCANS=870 RTINSECONDS=360.623 CHARGE=1- MSLEVEL=2 51.5398 2.3E3 54.6515 2.1E3 59.0124 1.6E5 76.0049 2.0E4 88.0052 2.5E3 96.8887 3.6E3 102.7137 2.6E3 103.0162 4.7E4 103.0282 3.1E3 109.9517 2.2E3 117.9173 4.8E3 121.2400 2.1E3 END IONS BEGIN IONS FEATURE_ID=871 PEPMASS=84.9938 SCANS=871 RTINSECONDS=360.786 CHARGE=1- MSLEVEL=2 51.5099 5.0E4 57.9920 4.4E5 61.6287 3.6E4 65.6534 3.6E4 73.1841 3.4E4 85.0028 1.0E7 91.8780 3.9E4 96.8906 4.7E4 103.2614 3.4E4 END IONS BEGIN IONS FEATURE_ID=872 PEPMASS=104.0295 SCANS=872 RTINSECONDS=362.647 CHARGE=1- MSLEVEL=2 51.0619 3.9E3 51.5415 5.2E3 51.9408 3.9E3 69.3884 3.7E3 74.3805 4.7E3 83.5487 5.2E3 88.1020 4.2E3 96.8900 5.9E3 104.0238 1.4E4 108.0103 4.1E3 116.8387 5.3E3 118.4762 4.0E3 END IONS BEGIN IONS FEATURE_ID=873 PEPMASS=84.9976 SCANS=873 RTINSECONDS=364.94 CHARGE=1- MSLEVEL=2 50.3961 3.0E4 51.5111 4.0E4 53.3771 3.0E4 57.9921 4.2E5 85.0028 9.2E6 85.0134 5.5E4 86.4178 3.3E4 96.8922 3.8E4 END IONS BEGIN IONS FEATURE_ID=874 PEPMASS=211.0077 SCANS=874 RTINSECONDS=365.373 CHARGE=1- MSLEVEL=2 51.5339 2.8E3 52.8931 2.2E3 58.7309 2.2E3 59.0124 1.8E4 60.4799 2.7E3 66.2293 1.8E3 70.8865 2.2E3 73.6181 2.2E3 76.2260 2.0E3 85.0028 3.1E5 86.1957 2.1E3 96.8876 3.5E3 103.0135 1.0E4 109.2399 2.3E3 229.2300 2.6E3 END IONS BEGIN IONS FEATURE_ID=875 PEPMASS=85.0119 SCANS=875 RTINSECONDS=365.435 CHARGE=1- MSLEVEL=2 57.9920 4.7E5 60.4574 3.9E4 85.0027 9.4E6 85.0135 6.7E4 93.5872 2.8E4 96.8895 3.1E4 END IONS BEGIN IONS FEATURE_ID=876 PEPMASS=192.9977 SCANS=876 RTINSECONDS=365.92 CHARGE=1- MSLEVEL=2 55.7361 2.9E3 57.9920 7.6E3 84.9922 1.3E4 84.9947 1.4E4 85.0030 2.4E6 85.0136 1.6E4 96.8830 3.3E3 96.8898 6.7E3 147.5824 3.3E3 193.0869 5.4E3 211.8066 4.3E3 END IONS BEGIN IONS FEATURE_ID=877 PEPMASS=85.0056 SCANS=877 RTINSECONDS=366.291 CHARGE=1- MSLEVEL=2 57.9920 4.4E5 64.7492 2.8E4 66.5825 4.0E4 78.7806 2.9E4 85.0028 9.6E6 97.2586 3.8E4 END IONS BEGIN IONS FEATURE_ID=878 PEPMASS=104.0270 SCANS=878 RTINSECONDS=366.86 CHARGE=1- MSLEVEL=2 53.4445 4.6E3 69.7385 5.5E3 82.3504 5.1E3 96.1805 4.5E3 96.8875 7.6E3 97.5787 5.6E3 100.5713 4.7E3 104.0238 1.7E4 119.9046 4.8E3 120.9198 5.1E3 END IONS BEGIN IONS FEATURE_ID=879 PEPMASS=108.0184 SCANS=879 RTINSECONDS=367.369 CHARGE=1- MSLEVEL=2 51.9905 2.0E3 54.5568 2.0E3 55.1513 2.0E3 63.0316 2.0E3 64.0055 2.5E3 65.0131 7.5E3 65.9970 2.9E3 68.0004 2.4E3 74.1259 2.0E3 79.6147 2.5E3 85.7957 2.0E3 90.0080 4.0E4 104.9155 2.1E3 108.0189 1.4E4 117.5750 2.1E3 END IONS BEGIN IONS FEATURE_ID=880 PEPMASS=85.0000 SCANS=880 RTINSECONDS=368.067 CHARGE=1- MSLEVEL=2 57.9919 4.3E5 67.9997 4.2E4 68.9734 3.9E4 69.6375 3.5E4 84.9920 6.0E4 85.0027 9.3E6 96.8886 4.3E4 END IONS BEGIN IONS FEATURE_ID=881 PEPMASS=104.0282 SCANS=881 RTINSECONDS=369.108 CHARGE=1- MSLEVEL=2 51.5352 4.6E3 52.7663 4.2E3 57.1270 4.3E3 57.8794 4.5E3 60.0161 5.7E3 79.0375 5.3E3 89.9643 4.9E3 95.5005 4.6E3 96.8893 9.0E3 104.0244 9.2E3 END IONS BEGIN IONS FEATURE_ID=882 PEPMASS=193.0053 SCANS=882 RTINSECONDS=369.237 CHARGE=1- MSLEVEL=2 53.9177 2.4E3 57.9922 5.3E3 59.1426 2.8E3 59.6973 2.3E3 63.3132 2.5E3 66.2257 2.5E3 84.9922 1.3E4 84.9947 7.3E3 85.0029 2.0E6 85.0135 1.3E4 88.7860 2.3E3 152.9974 3.6E3 163.3992 2.7E3 193.0861 8.0E3 193.1526 2.6E3 END IONS BEGIN IONS FEATURE_ID=883 PEPMASS=103.0136 SCANS=883 RTINSECONDS=371.077 CHARGE=1- MSLEVEL=2 53.7247 2.1E3 59.0124 1.7E5 68.2322 2.2E3 69.4773 2.0E3 76.0050 1.4E4 77.9231 2.4E3 96.8891 2.6E3 103.0160 3.5E4 110.6446 2.3E3 114.9623 2.1E3 117.9176 2.4E3 END IONS BEGIN IONS FEATURE_ID=884 PEPMASS=118.0486 SCANS=884 RTINSECONDS=371.575 CHARGE=1- MSLEVEL=2 51.6239 2.3E3 54.2126 2.0E3 61.7293 2.1E3 72.0076 2.6E4 74.0231 6.1E4 83.6293 2.0E3 96.8892 2.7E3 117.9270 6.1E3 118.0041 5.3E3 118.0286 1.6E4 118.0402 2.1E3 118.0489 1.0E4 122.7696 2.1E3 END IONS BEGIN IONS FEATURE_ID=885 PEPMASS=211.0077 SCANS=885 RTINSECONDS=371.601 CHARGE=1- MSLEVEL=2 51.5440 2.4E3 57.9744 2.0E3 59.0123 1.2E4 85.0026 2.3E5 89.5315 2.3E3 96.8896 3.8E3 103.0136 8.5E3 116.7833 2.5E3 162.2363 2.5E3 218.7963 2.2E3 END IONS BEGIN IONS FEATURE_ID=886 PEPMASS=85.0118 SCANS=886 RTINSECONDS=371.941 CHARGE=1- MSLEVEL=2 50.6815 3.1E4 54.4823 2.5E4 57.9921 4.1E5 62.1265 3.0E4 68.0000 3.8E4 82.8087 2.8E4 83.7108 2.4E4 85.0028 7.7E6 96.8895 2.8E4 END IONS BEGIN IONS FEATURE_ID=887 PEPMASS=133.0122 SCANS=887 RTINSECONDS=372.572 CHARGE=1- MSLEVEL=2 60.4688 2.3E3 71.0124 5.4E4 72.9917 6.6E3 89.0232 5.4E3 96.7174 2.2E3 96.8872 2.0E3 115.0021 7.9E4 132.8665 4.9E4 133.0127 2.1E4 141.8969 2.2E3 END IONS BEGIN IONS FEATURE_ID=888 PEPMASS=192.9977 SCANS=888 RTINSECONDS=372.874 CHARGE=1- MSLEVEL=2 51.9220 2.8E3 51.9652 3.0E3 55.8516 3.1E3 57.9921 5.8E3 63.9144 3.0E3 80.6266 3.4E3 84.9922 1.7E4 84.9944 1.3E4 85.0029 2.6E6 85.0114 1.6E4 85.0135 1.7E4 85.0166 6.1E3 96.8904 3.5E3 127.7359 3.2E3 167.4030 3.2E3 192.9972 3.9E3 193.0852 8.9E3 END IONS BEGIN IONS FEATURE_ID=889 PEPMASS=84.9941 SCANS=889 RTINSECONDS=373.394 CHARGE=1- MSLEVEL=2 55.2680 4.4E4 57.9920 5.7E5 67.2136 3.6E4 67.3750 3.4E4 69.5519 3.5E4 85.0028 1.1E7 96.8911 4.3E4 END IONS BEGIN IONS FEATURE_ID=890 PEPMASS=84.9975 SCANS=890 RTINSECONDS=373.541 CHARGE=1- MSLEVEL=2 57.9921 4.9E5 61.6501 3.1E4 65.4110 2.9E4 68.0001 3.5E4 76.7226 3.2E4 85.0028 9.4E6 103.3948 3.2E4 END IONS BEGIN IONS FEATURE_ID=891 PEPMASS=84.9958 SCANS=891 RTINSECONDS=374.215 CHARGE=1- MSLEVEL=2 51.5111 2.6E4 57.9920 3.9E5 65.0389 2.8E4 67.8607 2.7E4 70.0534 3.5E4 85.0027 8.1E6 99.1277 3.1E4 END IONS BEGIN IONS FEATURE_ID=892 PEPMASS=255.8209 SCANS=892 RTINSECONDS=375.432 CHARGE=1- MSLEVEL=2 51.5423 2.7E3 92.5231 2.3E3 95.8393 2.5E3 96.8894 3.7E3 100.2300 2.1E3 103.4410 2.7E3 155.3580 2.6E3 155.9397 2.8E3 166.8654 4.3E3 183.9390 2.6E3 184.8760 8.4E3 201.8341 5.0E3 201.8800 3.2E3 202.8871 4.3E3 217.8491 2.6E4 219.8002 6.5E3 219.8449 1.2E6 220.8510 2.9E3 237.8562 3.5E3 255.8209 4.5E4 END IONS BEGIN IONS FEATURE_ID=893 PEPMASS=195.8109 SCANS=893 RTINSECONDS=375.703 CHARGE=1- MSLEVEL=2 51.5188 9.5E3 55.9201 9.6E3 91.3250 1.1E4 93.2694 8.8E3 96.8861 1.3E4 96.8912 2.3E4 110.8722 9.7E3 127.5091 1.1E4 158.8455 1.2E5 160.8412 6.9E6 195.8104 4.8E6 195.8475 2.6E4 205.2218 9.5E3 212.3021 1.2E4 216.7359 9.2E3 END IONS BEGIN IONS FEATURE_ID=894 PEPMASS=197.8078 SCANS=894 RTINSECONDS=375.743 CHARGE=1- MSLEVEL=2 66.1582 1.2E4 67.6518 9.5E3 70.8301 1.1E4 72.4043 8.9E3 94.1789 9.6E3 95.3303 1.1E4 96.8871 2.2E4 122.0180 9.5E3 143.5677 1.0E4 160.8406 1.8E6 162.8090 2.6E4 162.8378 5.2E6 162.8660 2.4E4 165.9018 1.2E4 169.2439 1.0E4 197.7692 2.7E4 197.8071 5.0E6 END IONS BEGIN IONS FEATURE_ID=895 PEPMASS=199.8045 SCANS=895 RTINSECONDS=375.764 CHARGE=1- MSLEVEL=2 51.4151 4.4E3 51.7652 4.4E3 52.4193 4.2E3 56.3120 4.4E3 70.4450 3.9E3 74.3794 4.3E3 77.6400 3.6E3 96.8875 5.9E3 121.6089 4.6E3 149.2544 4.0E3 162.1432 4.8E3 162.8381 1.7E6 164.8062 4.7E3 164.8350 1.5E6 164.8638 4.8E3 199.7545 8.5E3 199.8045 2.2E6 199.8439 1.6E4 206.9399 4.5E3 END IONS BEGIN IONS FEATURE_ID=896 PEPMASS=201.8010 SCANS=896 RTINSECONDS=375.768 CHARGE=1- MSLEVEL=2 52.7041 2.3E3 72.6909 2.2E3 74.4763 2.2E3 81.0853 2.4E3 81.9592 2.3E3 83.3054 2.2E3 95.6041 2.2E3 96.0441 8.6E3 96.8891 2.7E3 112.0382 5.1E3 140.0338 7.8E3 164.8146 3.3E3 164.8181 5.2E3 164.8347 2.9E5 166.0366 4.1E3 166.8317 8.5E4 179.8964 2.6E3 184.8764 4.6E3 201.8012 2.8E5 219.8452 9.6E3 END IONS BEGIN IONS FEATURE_ID=897 PEPMASS=153.8670 SCANS=897 RTINSECONDS=376.43 CHARGE=1- MSLEVEL=2 52.0642 2.1E3 72.0787 2.8E3 82.5173 2.4E3 90.0738 2.2E3 96.8889 3.8E3 104.1599 2.3E3 114.9994 2.4E3 118.8985 3.1E3 127.0152 4.3E3 133.5843 2.8E3 153.8416 9.3E3 153.8465 4.8E3 153.8676 1.4E6 153.8937 9.2E3 154.0256 5.8E3 154.8663 3.4E3 170.9081 2.3E3 END IONS BEGIN IONS FEATURE_ID=898 PEPMASS=160.0598 SCANS=898 RTINSECONDS=376.503 CHARGE=1- MSLEVEL=2 51.5227 2.1E3 60.4555 2.5E3 62.8729 2.5E3 70.4551 2.0E3 75.8074 2.3E3 77.9877 2.4E3 82.0042 2.3E3 89.8643 2.1E3 96.0442 9.6E3 96.8889 4.1E3 98.0592 2.3E4 110.2027 2.6E3 114.0542 3.1E3 116.0345 4.4E3 116.0700 1.1E5 125.8723 3.2E3 142.0496 1.0E5 155.5362 3.1E3 158.8438 3.8E3 159.8441 3.8E4 159.8594 6.8E3 160.0240 2.8E3 160.0603 9.4E4 160.8133 1.3E4 160.8412 2.3E6 END IONS BEGIN IONS FEATURE_ID=899 PEPMASS=321.0832 SCANS=899 RTINSECONDS=376.836 CHARGE=1- MSLEVEL=2 57.0332 1.1E4 57.1687 2.8E3 59.0122 2.9E4 63.2409 2.8E3 65.0718 2.8E3 69.0330 2.6E4 71.0122 2.7E4 72.6816 2.5E3 72.9911 2.4E3 73.0278 9.0E4 76.5414 2.7E3 81.0328 2.8E3 83.0122 8.2E3 85.0278 1.5E5 87.0072 6.7E5 95.0118 2.5E4 96.8891 9.9E3 97.0277 1.1E5 103.0382 6.0E4 111.0072 5.5E3 113.0226 4.8E4 114.0305 3.4E3 115.0019 5.9E4 115.0382 1.2E4 125.0226 3.6E3 129.0175 1.1E4 139.0025 3.7E3 157.0128 5.6E4 175.0231 3.1E5 217.0344 1.2E5 303.0724 7.3E4 321.0846 1.5E4 END IONS BEGIN IONS FEATURE_ID=900 PEPMASS=173.0547 SCANS=900 RTINSECONDS=376.9 CHARGE=1- MSLEVEL=2 57.0332 5.2E3 58.0286 1.0E4 58.7435 2.2E3 59.0124 1.1E4 62.6225 2.5E3 62.9916 2.2E3 69.0445 2.9E3 71.0124 3.9E3 72.0077 3.9E3 74.0233 3.3E3 83.0230 3.6E3 83.0599 3.3E4 83.7432 2.9E3 84.0439 5.9E4 85.0279 2.9E4 85.0755 8.3E4 87.0548 7.9E3 93.8668 2.6E3 96.8879 2.9E3 102.0545 6.9E4 109.0389 1.3E4 111.0072 1.3E5 111.0548 3.1E5 128.0337 4.5E5 128.8772 3.6E3 129.0652 1.8E5 129.1017 5.9E3 131.0810 6.7E4 136.8612 8.9E3 146.0445 1.4E5 154.9462 2.9E4 155.0447 3.8E4 159.9849 3.2E3 172.8291 8.8E4 172.8413 1.1E5 172.9563 2.7E3 173.0555 9.5E4 173.0914 7.8E4 173.8419 4.3E3 END IONS BEGIN IONS FEATURE_ID=901 PEPMASS=134.8927 SCANS=901 RTINSECONDS=376.926 CHARGE=1- MSLEVEL=2 51.8254 2.9E3 53.8543 3.0E3 59.0121 1.6E4 64.8393 2.4E3 65.6375 2.5E3 71.0123 1.5E4 72.9913 2.3E4 73.0166 8.5E3 75.0008 3.1E3 75.0071 1.8E5 89.0229 1.2E4 96.8881 5.4E3 96.8992 2.8E3 96.9679 5.0E3 99.9244 4.1E4 115.0022 6.8E3 117.0062 2.7E4 134.8647 1.5E5 134.8935 2.0E6 135.0173 8.8E3 135.0281 5.4E4 135.8932 9.2E3 END IONS BEGIN IONS FEATURE_ID=902 PEPMASS=136.8899 SCANS=902 RTINSECONDS=377.26 CHARGE=1- MSLEVEL=2 51.5261 2.0E3 54.5640 2.1E3 56.4048 2.0E3 59.7051 2.5E3 65.9969 3.0E3 68.1570 2.1E3 74.9894 2.8E3 76.9430 2.4E3 79.9559 3.5E3 91.7615 2.3E3 96.8882 3.7E3 99.9241 1.0E4 110.1919 2.4E3 136.8618 4.8E4 136.8904 5.5E5 137.0331 3.0E3 END IONS BEGIN IONS FEATURE_ID=903 PEPMASS=217.0293 SCANS=903 RTINSECONDS=377.369 CHARGE=1- MSLEVEL=2 51.5275 2.4E3 59.0128 2.1E3 60.9664 2.1E3 62.7734 2.1E3 66.6658 2.4E3 68.1729 2.2E3 71.0122 3.5E3 73.9860 2.9E3 85.0279 3.7E3 87.0074 2.2E3 87.4169 2.5E3 89.0228 3.2E3 90.1770 2.0E3 96.8870 3.6E3 96.8924 2.9E3 96.9583 5.4E3 97.0281 8.6E3 101.0234 2.7E3 109.8063 2.3E3 111.0070 4.1E4 112.0067 2.0E3 112.1989 2.1E3 129.0170 2.8E3 164.1543 2.5E3 173.9482 2.4E3 178.9026 3.6E3 217.0141 1.2E4 END IONS BEGIN IONS FEATURE_ID=904 PEPMASS=209.0660 SCANS=904 RTINSECONDS=377.374 CHARGE=1- MSLEVEL=2 54.8095 2.0E3 57.0333 2.6E4 59.0122 1.7E4 61.3050 2.5E3 61.3086 2.6E3 68.9964 2.8E3 71.0122 1.7E4 72.9914 1.3E4 73.0278 2.8E3 74.2042 3.1E3 75.0073 2.9E3 83.0122 3.5E3 84.0204 2.6E3 85.0278 1.4E5 85.0338 4.0E3 85.0350 2.1E3 87.0071 3.7E4 89.0226 9.7E3 92.9262 4.9E4 96.8880 6.1E3 97.0272 3.5E3 99.0070 5.2E3 101.0230 2.6E3 111.0070 8.9E3 121.0646 2.3E3 127.8682 4.3E3 129.0176 6.1E4 133.0123 4.2E3 141.0176 4.4E3 147.0278 4.4E3 154.1784 2.2E3 154.9457 6.1E3 159.0285 1.4E4 170.1880 2.3E3 172.9569 1.0E4 181.9721 2.5E3 184.7377 2.4E3 191.0178 1.4E4 209.0295 1.5E4 209.0659 1.3E5 END IONS BEGIN IONS FEATURE_ID=905 PEPMASS=134.0154 SCANS=905 RTINSECONDS=377.417 CHARGE=1- MSLEVEL=2 51.5148 2.9E3 68.8430 2.1E3 71.0123 2.6E4 72.0156 6.6E4 72.9917 9.9E3 73.9951 7.9E3 75.0076 3.5E3 80.9634 2.5E3 89.0226 2.4E3 90.0259 1.1E4 92.0238 4.7E3 93.2803 2.2E3 97.1096 2.2E3 97.5189 2.1E3 99.9243 3.4E3 107.0241 3.1E3 114.1457 2.0E3 115.0025 2.8E3 115.9930 3.0E3 116.0054 1.5E5 116.0159 3.9E3 120.8948 2.3E3 134.0161 3.6E4 134.0346 8.7E3 134.0448 2.3E3 134.8641 3.7E4 134.8932 2.1E5 END IONS BEGIN IONS FEATURE_ID=906 PEPMASS=179.0540 SCANS=906 RTINSECONDS=377.463 CHARGE=1- MSLEVEL=2 53.2247 2.0E3 59.0125 2.4E4 61.6837 2.1E3 63.5296 2.0E3 64.9796 2.3E3 69.9217 2.5E3 71.0123 1.9E4 72.9916 6.7E3 73.0279 3.5E3 75.0072 8.5E4 75.3502 2.2E3 81.0328 5.4E3 85.0278 7.8E3 87.0072 5.1E3 89.0227 1.3E4 96.8886 3.7E3 99.0073 4.7E3 99.0425 2.2E3 101.0235 3.5E3 124.9712 2.3E3 125.0232 3.4E3 143.0333 1.0E4 158.2860 2.2E3 158.4345 2.2E3 161.0437 2.8E4 178.8335 5.0E3 178.8571 1.8E4 178.9011 3.7E3 179.0549 1.1E5 END IONS BEGIN IONS FEATURE_ID=907 PEPMASS=215.0323 SCANS=907 RTINSECONDS=377.463 CHARGE=1- MSLEVEL=2 59.0124 1.2E4 71.0122 1.1E4 73.9014 2.5E3 89.0227 1.5E4 94.5896 2.4E3 94.9234 1.0E4 96.8877 7.5E3 96.9201 4.6E3 96.9582 4.5E3 97.4339 2.2E3 99.6150 2.4E3 99.6926 1.9E3 113.0225 3.1E3 117.0005 2.0E3 156.9140 2.7E3 178.9006 1.1E4 179.0554 5.7E3 213.4785 2.3E3 215.0112 5.3E3 215.0326 1.1E4 END IONS BEGIN IONS FEATURE_ID=908 PEPMASS=208.9340 SCANS=908 RTINSECONDS=377.471 CHARGE=1- MSLEVEL=2 54.6943 2.4E3 55.0173 3.4E3 57.0331 2.7E4 58.9946 4.1E3 59.0124 2.4E4 61.9150 2.1E3 71.0124 1.4E4 72.9913 7.1E3 73.0276 2.9E3 75.0070 2.6E3 79.9650 2.3E3 83.0120 6.2E3 84.0201 3.3E3 85.0278 1.5E5 87.0070 3.4E4 89.0226 7.0E3 92.9263 6.0E4 96.8902 7.8E3 98.9410 2.8E3 99.0070 3.7E3 101.0222 3.2E3 111.0069 1.1E4 115.0383 2.6E3 120.8332 2.2E3 124.0576 2.2E3 127.6929 2.2E3 129.0174 7.0E4 133.0128 5.0E3 141.0174 4.4E3 147.0282 2.3E3 154.9456 8.2E3 159.0276 1.6E4 164.7848 2.2E3 172.9566 1.4E4 191.0188 2.2E4 208.9338 3.3E3 209.0326 2.0E4 209.0656 1.5E5 221.1115 3.0E3 END IONS BEGIN IONS FEATURE_ID=909 PEPMASS=96.9580 SCANS=909 RTINSECONDS=377.561 CHARGE=1- MSLEVEL=2 52.6621 2.3E3 74.0626 3.2E3 78.9454 3.2E3 78.9577 8.4E5 79.9559 1.1E5 96.8903 3.2E3 96.9205 6.2E4 96.9459 1.5E4 96.9488 1.8E4 96.9589 2.5E6 96.9678 5.5E4 96.9679 6.9E4 96.9795 4.4E3 END IONS BEGIN IONS FEATURE_ID=910 PEPMASS=84.9977 SCANS=910 RTINSECONDS=377.566 CHARGE=1- MSLEVEL=2 51.0127 2.7E4 57.9921 3.9E5 85.0028 8.1E6 96.8899 7.7E4 END IONS BEGIN IONS FEATURE_ID=911 PEPMASS=92.9264 SCANS=911 RTINSECONDS=377.585 CHARGE=1- MSLEVEL=2 54.8472 2.1E3 55.9253 2.0E3 64.0053 1.3E4 65.0079 3.1E3 65.0131 1.9E5 65.0172 4.0E3 65.0180 2.6E3 65.9970 8.8E4 66.0163 6.0E3 73.7568 2.3E3 92.9264 3.3E5 92.9953 3.6E3 93.0078 4.0E5 93.0186 7.9E3 93.0270 2.9E3 96.8886 2.9E3 103.7987 2.4E3 END IONS BEGIN IONS FEATURE_ID=912 PEPMASS=94.9233 SCANS=912 RTINSECONDS=377.653 CHARGE=1- MSLEVEL=2 53.4360 2.4E3 65.9967 8.9E3 66.7279 2.3E3 68.0125 7.6E3 73.2038 2.9E3 74.9674 2.3E3 77.1295 2.1E3 94.9233 3.5E5 94.9359 2.9E3 94.9795 3.1E3 95.0231 7.9E3 95.3733 2.2E3 96.8913 9.3E3 END IONS BEGIN IONS FEATURE_ID=913 PEPMASS=96.9674 SCANS=913 RTINSECONDS=377.683 CHARGE=1- MSLEVEL=2 50.6822 2.3E3 60.6587 2.1E3 63.2302 2.2E3 68.7143 2.4E3 68.8159 3.2E3 75.6674 2.3E3 78.9576 7.7E5 79.9558 9.2E4 83.6558 3.3E3 89.5361 2.6E3 96.8871 4.2E3 96.9205 5.0E4 96.9418 5.3E3 96.9457 1.4E4 96.9588 2.1E6 96.9676 5.8E4 96.9678 6.3E4 96.9916 2.3E3 END IONS BEGIN IONS FEATURE_ID=914 PEPMASS=135.0278 SCANS=914 RTINSECONDS=377.707 CHARGE=1- MSLEVEL=2 51.0518 2.3E3 59.0125 1.3E4 59.6961 2.5E3 71.0121 1.5E4 72.9914 2.1E4 73.0164 5.4E3 75.0071 1.5E5 89.0227 1.2E4 96.8862 5.0E3 96.8916 4.3E3 96.9681 5.2E3 99.9240 3.6E4 115.0020 3.8E3 117.0063 2.2E4 117.0175 4.3E3 127.0077 2.3E3 134.8646 1.5E5 134.8935 1.5E6 134.9211 4.9E3 135.0172 6.2E3 135.0287 4.3E4 135.0410 3.3E3 135.8937 3.5E4 143.6833 2.6E3 END IONS BEGIN IONS FEATURE_ID=915 PEPMASS=103.0161 SCANS=915 RTINSECONDS=377.792 CHARGE=1- MSLEVEL=2 51.5469 2.2E3 58.2151 2.1E3 59.0124 1.0E5 71.9950 2.5E3 76.0052 1.2E4 80.3611 2.0E3 88.6622 2.2E3 103.0162 3.2E4 117.4508 2.0E3 END IONS BEGIN IONS FEATURE_ID=916 PEPMASS=115.0017 SCANS=916 RTINSECONDS=377.972 CHARGE=1- MSLEVEL=2 60.3419 1.9E3 60.4681 2.1E3 66.8972 1.9E3 68.8284 1.9E3 71.0123 1.1E5 73.0392 3.1E3 75.7427 2.1E3 91.2877 2.4E3 96.8893 3.2E3 97.9303 2.2E3 114.9329 3.8E3 115.0021 1.1E4 115.0290 6.5E3 116.0234 3.3E3 END IONS BEGIN IONS FEATURE_ID=917 PEPMASS=192.0213 SCANS=917 RTINSECONDS=378.057 CHARGE=1- MSLEVEL=2 57.0333 7.2E3 57.8631 2.2E3 58.0367 7.9E3 59.0127 2.3E3 68.0206 3.1E3 85.0278 3.4E4 86.0313 6.1E4 87.0072 8.1E4 88.0106 7.1E4 96.8883 5.9E3 111.0073 8.0E4 112.0106 3.6E5 129.0182 4.5E3 130.0207 1.7E4 133.1253 2.4E3 148.0315 3.3E3 155.9992 2.9E3 156.8467 9.6E3 174.0114 6.6E3 191.8163 3.1E3 192.0216 5.6E4 192.0773 3.6E3 END IONS BEGIN IONS FEATURE_ID=918 PEPMASS=133.0131 SCANS=918 RTINSECONDS=378.162 CHARGE=1- MSLEVEL=2 53.8517 2.2E4 59.0128 3.7E4 71.0124 2.5E6 72.9915 4.5E5 75.2504 2.1E4 87.0074 2.6E4 89.0228 2.6E5 90.0067 2.1E4 115.0021 3.9E6 132.8657 1.7E5 132.8995 5.1E4 133.0127 8.4E5 END IONS BEGIN IONS FEATURE_ID=919 PEPMASS=146.0442 SCANS=919 RTINSECONDS=378.281 CHARGE=1- MSLEVEL=2 51.5693 2.1E3 52.0892 2.1E3 57.0333 1.5E4 60.9920 5.0E3 70.0284 3.8E4 71.4374 2.0E3 72.0439 1.8E4 73.0500 4.2E3 74.0232 2.9E5 84.0438 1.2E5 96.8901 1.2E4 98.0230 9.5E4 102.0548 8.7E3 104.0336 3.2E4 116.0337 6.9E4 128.0344 4.7E3 133.3100 2.1E3 146.0442 3.6E4 END IONS BEGIN IONS FEATURE_ID=920 PEPMASS=166.8332 SCANS=920 RTINSECONDS=378.312 CHARGE=1- MSLEVEL=2 59.9620 2.0E3 62.2528 2.5E3 76.2353 2.3E3 78.9575 9.3E3 87.0540 2.8E3 92.9266 2.6E3 96.8904 3.5E3 103.0181 2.2E3 124.0123 2.6E3 135.9716 2.5E3 139.3227 2.2E3 140.0240 7.6E3 148.9714 1.0E4 166.8337 5.2E5 166.9814 1.2E4 167.0197 7.2E3 167.0349 1.7E4 181.9140 2.1E3 END IONS BEGIN IONS FEATURE_ID=921 PEPMASS=191.0195 SCANS=921 RTINSECONDS=378.338 CHARGE=1- MSLEVEL=2 51.5245 1.9E4 52.5268 1.6E4 57.0334 2.7E5 57.7879 2.2E4 58.8580 1.8E4 67.0176 8.4E4 71.9640 2.1E4 72.9919 1.9E4 85.0279 1.6E6 85.0349 2.2E4 87.0072 2.6E6 91.0738 1.8E4 91.3238 1.7E4 96.8894 2.1E4 99.4167 1.6E4 101.0233 2.1E4 111.0074 7.5E6 129.0176 3.9E5 130.9960 2.8E4 133.0139 2.3E4 147.0280 6.0E4 154.9984 3.2E4 173.0069 1.2E5 191.0193 7.5E5 END IONS BEGIN IONS FEATURE_ID=922 PEPMASS=116.0331 SCANS=922 RTINSECONDS=378.358 CHARGE=1- MSLEVEL=2 52.8327 2.3E3 53.6253 2.0E3 54.3762 2.5E3 61.1354 3.0E3 65.0130 1.2E4 72.0152 2.6E3 74.0231 1.5E4 89.0129 2.0E5 89.0199 4.2E3 96.8897 3.3E3 98.0232 2.1E3 99.2353 2.0E3 99.9240 6.0E3 113.0655 2.4E3 115.9191 4.2E3 116.0238 1.9E5 116.9271 1.8E4 133.3727 2.3E3 END IONS BEGIN IONS FEATURE_ID=923 PEPMASS=255.0260 SCANS=923 RTINSECONDS=378.375 CHARGE=1- MSLEVEL=2 54.5434 2.1E3 59.0124 3.7E3 63.4835 2.2E3 69.0329 1.1E4 71.0124 5.5E3 79.4191 2.2E3 83.0124 2.5E3 85.0277 1.5E4 87.0070 5.7E4 96.8862 2.7E3 96.8921 2.4E3 97.0275 1.6E4 101.0228 2.4E3 104.6238 2.9E3 111.0072 2.0E4 111.0431 5.0E3 113.0233 2.8E3 121.0281 2.4E3 129.0180 1.4E4 141.0172 1.4E4 169.0975 7.0E3 198.9519 4.3E3 201.0393 2.0E4 211.1191 5.1E3 218.8505 3.5E3 219.0502 1.7E5 219.8442 1.4E4 END IONS BEGIN IONS FEATURE_ID=924 PEPMASS=104.0330 SCANS=924 RTINSECONDS=378.43 CHARGE=1- MSLEVEL=2 55.9645 2.1E3 59.3871 1.9E3 60.0159 2.5E3 65.3314 2.0E3 70.3270 2.0E3 72.0075 3.0E4 74.0230 5.2E4 96.8854 2.9E3 96.8913 3.6E3 104.0240 6.8E3 104.0337 2.3E4 117.9970 2.4E3 END IONS BEGIN IONS FEATURE_ID=925 PEPMASS=111.0068 SCANS=925 RTINSECONDS=378.518 CHARGE=1- MSLEVEL=2 55.3213 2.1E3 55.6409 2.0E3 58.5088 1.8E3 64.1747 2.1E3 65.9975 2.9E3 67.0175 1.2E4 96.8896 6.1E3 111.0072 4.1E4 END IONS BEGIN IONS FEATURE_ID=926 PEPMASS=160.8414 SCANS=926 RTINSECONDS=378.531 CHARGE=1- MSLEVEL=2 60.4604 6.9E3 63.0721 8.2E3 66.2115 7.5E3 70.3308 7.3E3 96.8903 1.7E4 101.0893 8.3E3 106.6992 9.6E3 113.0222 1.1E4 116.9273 1.2E4 129.1990 8.7E3 160.8411 5.9E6 END IONS BEGIN IONS FEATURE_ID=927 PEPMASS=205.0345 SCANS=927 RTINSECONDS=378.535 CHARGE=1- MSLEVEL=2 71.0489 5.7E3 81.0330 3.4E3 82.0944 2.4E3 87.0073 3.9E3 96.8885 6.3E3 98.9381 2.6E3 99.0433 6.8E4 101.0228 6.0E4 111.0068 1.1E4 115.0384 3.6E4 117.0537 2.9E3 125.0092 2.7E3 125.0226 2.4E5 125.8713 8.5E3 133.0468 2.5E3 143.0335 4.6E4 145.0127 1.4E5 145.0289 2.3E3 157.8616 5.3E3 160.8409 2.7E3 186.3408 2.4E3 187.0238 9.5E4 205.0347 1.1E5 END IONS BEGIN IONS FEATURE_ID=928 PEPMASS=164.8354 SCANS=928 RTINSECONDS=378.904 CHARGE=1- MSLEVEL=2 54.9007 3.1E3 57.4239 3.2E3 57.6191 3.2E3 64.0009 3.0E3 75.0073 1.4E4 76.3214 2.8E3 96.8889 3.9E3 96.9585 4.6E3 117.9269 4.7E3 119.6473 3.2E3 121.0278 6.9E3 136.2950 3.3E3 164.8070 1.2E4 164.8360 2.3E6 164.8650 1.3E4 164.8731 5.6E3 165.0386 9.4E3 179.3781 3.5E3 END IONS BEGIN IONS FEATURE_ID=929 PEPMASS=162.8386 SCANS=929 RTINSECONDS=379.25 CHARGE=1- MSLEVEL=2 51.0784 8.2E3 65.0130 9.2E4 68.6168 7.8E3 80.2517 7.8E3 83.0121 1.7E4 96.8891 1.9E4 101.0225 4.9E4 122.1588 7.1E3 145.0130 1.3E4 162.8385 5.6E6 163.0231 2.8E4 163.2906 8.4E3 176.9099 7.3E3 END IONS BEGIN IONS FEATURE_ID=930 PEPMASS=355.0662 SCANS=930 RTINSECONDS=379.34 CHARGE=1- MSLEVEL=2 55.0175 9.7E3 57.0334 6.5E4 59.0123 5.8E4 62.0075 2.5E3 68.9967 3.5E3 71.0123 2.3E4 72.9913 5.0E3 73.0277 2.5E4 75.0070 5.2E3 77.9396 2.8E3 83.0121 1.4E4 84.0201 7.6E3 85.0279 6.0E5 87.0072 5.1E3 89.0231 6.1E3 96.8891 8.8E3 99.0073 3.2E3 101.0227 1.9E4 103.0023 5.2E3 111.0071 2.4E4 113.0230 8.2E3 119.0334 3.7E3 119.0487 1.3E4 129.0177 4.0E4 131.0337 3.3E3 133.0127 4.3E3 147.0283 5.8E4 151.0600 7.3E3 161.0447 6.0E3 163.0389 1.4E4 173.0082 1.1E4 191.0188 1.7E5 209.0294 1.0E5 250.7979 2.7E3 295.1046 7.8E3 337.0562 3.2E3 355.0686 2.8E4 355.1260 1.1E4 END IONS BEGIN IONS FEATURE_ID=931 PEPMASS=172.8406 SCANS=931 RTINSECONDS=380.092 CHARGE=1- MSLEVEL=2 51.5395 2.2E3 60.5613 2.1E3 69.5455 2.0E3 85.0279 6.6E3 94.1305 2.2E3 96.8900 3.4E3 105.0089 2.6E3 111.0067 2.0E4 111.0546 6.5E3 128.0343 8.3E3 129.0550 2.8E3 129.0652 4.5E3 129.1018 2.6E3 131.0812 6.6E3 138.1944 2.6E3 146.0451 3.6E3 172.8102 2.2E3 172.8293 5.2E4 172.8418 3.6E5 173.0922 9.0E3 177.1542 2.5E3 END IONS BEGIN IONS FEATURE_ID=932 PEPMASS=84.9940 SCANS=932 RTINSECONDS=380.329 CHARGE=1- MSLEVEL=2 51.0269 3.6E4 57.9921 5.3E5 68.0000 4.9E4 85.0029 1.0E7 85.0133 6.2E4 96.6917 3.6E4 96.8911 6.4E4 99.5381 4.0E4 END IONS BEGIN IONS FEATURE_ID=933 PEPMASS=174.8376 SCANS=933 RTINSECONDS=380.408 CHARGE=1- MSLEVEL=2 86.1306 2.0E3 87.0070 5.2E3 96.8895 2.7E3 104.8576 2.3E3 116.9271 4.9E3 146.9598 9.0E3 167.0219 1.9E3 174.8073 2.1E3 174.8101 3.9E3 174.8388 3.3E5 END IONS BEGIN IONS FEATURE_ID=934 PEPMASS=195.8185 SCANS=934 RTINSECONDS=380.763 CHARGE=1- MSLEVEL=2 51.7235 7.6E3 52.4312 9.8E3 59.2392 7.6E3 60.0271 8.0E3 71.9585 7.8E3 85.9525 7.9E3 88.3775 8.5E3 96.8867 1.9E4 96.8926 1.2E4 99.2185 7.9E3 101.7673 6.7E3 141.3265 8.7E3 158.8454 6.1E4 160.8408 3.1E6 195.8101 2.2E6 END IONS BEGIN IONS FEATURE_ID=935 PEPMASS=84.9959 SCANS=935 RTINSECONDS=381.061 CHARGE=1- MSLEVEL=2 55.7647 2.8E4 57.9919 3.7E5 84.9921 3.9E4 85.0027 7.2E6 87.0954 3.0E4 93.3206 3.6E4 94.5511 2.5E4 95.7173 2.9E4 96.8856 3.5E4 96.8910 6.5E4 END IONS BEGIN IONS FEATURE_ID=936 PEPMASS=195.8110 SCANS=936 RTINSECONDS=381.229 CHARGE=1- MSLEVEL=2 55.3027 7.7E3 60.0345 8.7E3 60.4679 8.9E3 62.6708 8.0E3 96.8883 2.9E4 99.9222 8.8E3 106.4297 1.0E4 158.8453 1.1E5 160.8132 4.3E4 160.8413 7.4E6 195.8105 4.6E6 195.8476 2.3E4 206.8337 8.3E3 END IONS BEGIN IONS FEATURE_ID=937 PEPMASS=197.8079 SCANS=937 RTINSECONDS=381.238 CHARGE=1- MSLEVEL=2 51.5245 1.0E4 52.8423 8.9E3 55.8725 1.1E4 69.5862 9.6E3 71.9786 1.1E4 73.2392 1.1E4 81.2489 1.0E4 85.0967 1.2E4 96.8899 3.1E4 137.1314 1.1E4 138.0604 1.1E4 160.8411 2.2E6 162.8381 6.0E6 170.9573 1.1E4 176.9872 1.1E4 197.7696 3.9E4 197.8074 5.9E6 END IONS BEGIN IONS FEATURE_ID=938 PEPMASS=199.8047 SCANS=938 RTINSECONDS=381.307 CHARGE=1- MSLEVEL=2 54.1851 4.0E3 54.2429 3.3E3 70.4552 2.9E3 78.1544 3.0E3 90.8969 3.5E3 96.8918 3.9E3 115.9327 3.8E3 150.9303 3.3E3 162.8380 1.8E6 162.8662 9.6E3 164.8351 1.6E6 199.8046 2.5E6 199.8433 1.8E4 199.8996 4.5E3 END IONS BEGIN IONS FEATURE_ID=939 PEPMASS=201.8009 SCANS=939 RTINSECONDS=381.359 CHARGE=1- MSLEVEL=2 54.8045 2.5E3 59.4881 2.6E3 60.8754 2.6E3 63.0508 2.1E3 81.2762 2.8E3 92.8116 2.3E3 96.8905 2.9E3 144.1979 2.3E3 164.8346 5.5E5 164.8628 3.2E3 166.8313 1.5E5 184.8746 4.2E3 201.8011 5.5E5 207.1363 2.1E3 219.8448 3.8E3 END IONS BEGIN IONS FEATURE_ID=940 PEPMASS=207.8358 SCANS=940 RTINSECONDS=381.6 CHARGE=1- MSLEVEL=2 51.5219 2.5E3 62.0812 2.5E3 67.5066 2.3E3 80.5007 2.2E3 91.6656 2.2E3 96.8887 6.9E3 107.4377 2.0E3 122.8927 2.9E3 125.8715 6.8E4 127.8553 2.5E3 127.8571 3.7E3 127.8686 1.5E5 157.8616 3.5E4 159.8588 6.1E4 162.8376 6.2E4 163.8456 5.5E4 187.6006 2.3E3 207.8367 7.8E3 END IONS BEGIN IONS FEATURE_ID=941 PEPMASS=205.8387 SCANS=941 RTINSECONDS=381.652 CHARGE=1- MSLEVEL=2 51.5064 2.2E3 54.5408 2.3E3 55.5637 2.0E3 86.0231 2.2E3 93.1604 2.1E3 96.8881 3.4E3 122.8929 4.4E3 123.8761 4.6E3 125.8714 2.4E5 126.0604 2.2E3 157.8614 9.4E4 160.8406 7.2E4 161.3976 2.6E3 161.8483 6.0E4 187.0948 2.5E3 205.8390 1.1E4 END IONS BEGIN IONS FEATURE_ID=942 PEPMASS=84.9978 SCANS=942 RTINSECONDS=382.762 CHARGE=1- MSLEVEL=2 51.5385 3.0E4 52.7410 2.7E4 53.2937 3.1E4 57.9921 4.1E5 75.7283 3.5E4 85.0028 8.8E6 96.6105 2.7E4 96.8877 4.4E4 END IONS BEGIN IONS FEATURE_ID=943 PEPMASS=259.8142 SCANS=943 RTINSECONDS=383.187 CHARGE=1- MSLEVEL=2 53.7400 2.5E3 88.7539 2.5E3 96.8868 3.1E3 115.8829 2.5E3 127.8683 4.4E3 190.4689 2.1E3 196.6366 2.5E3 203.8302 3.0E3 221.8418 4.4E5 222.8515 2.8E3 223.8389 2.7E5 241.8863 2.5E3 244.3423 2.3E3 259.8158 3.1E4 283.9868 2.9E3 END IONS BEGIN IONS FEATURE_ID=944 PEPMASS=257.8179 SCANS=944 RTINSECONDS=383.289 CHARGE=1- MSLEVEL=2 51.5356 2.4E3 89.3919 2.2E3 96.8865 6.4E3 103.9186 5.1E3 104.7611 2.6E3 122.8924 1.4E4 125.8710 2.8E4 150.9955 2.6E3 157.4801 2.5E3 157.8614 1.4E4 166.8652 2.9E3 177.9112 1.8E4 184.8757 4.9E3 186.8720 5.4E3 202.8851 2.8E3 203.8298 4.5E3 219.7996 3.3E3 219.8447 5.6E5 221.7843 3.6E3 221.8418 1.2E6 221.8859 2.1E3 221.9013 1.5E4 222.8488 3.3E3 257.8182 6.1E4 END IONS BEGIN IONS FEATURE_ID=945 PEPMASS=255.8210 SCANS=945 RTINSECONDS=383.299 CHARGE=1- MSLEVEL=2 53.3703 2.9E3 53.6165 2.7E3 54.9607 4.1E3 55.3542 2.2E3 55.9487 2.3E3 58.2327 2.4E3 60.3166 2.3E3 89.8287 2.7E3 93.7747 2.5E3 96.8886 5.1E3 100.9830 2.4E3 103.5396 2.6E3 118.7800 2.5E3 166.8656 3.5E3 184.8750 1.5E4 194.7668 3.1E3 201.8324 1.3E4 201.8773 4.4E3 202.8865 6.2E3 217.8498 3.5E4 219.7877 5.7E3 219.8004 1.5E4 219.8450 2.2E6 219.8807 8.9E3 219.8898 1.5E4 219.9018 5.2E3 220.8517 3.8E3 237.8572 7.3E3 255.8212 7.6E4 END IONS BEGIN IONS FEATURE_ID=946 PEPMASS=217.0290 SCANS=946 RTINSECONDS=386.002 CHARGE=1- MSLEVEL=2 59.0125 2.4E3 75.5369 2.2E3 96.8908 2.7E3 98.8447 1.9E3 108.1316 2.3E3 111.0077 2.7E3 129.8386 2.2E3 136.4124 2.2E3 142.5662 2.1E3 209.8715 2.2E3 END IONS BEGIN IONS FEATURE_ID=947 PEPMASS=215.0324 SCANS=947 RTINSECONDS=386.026 CHARGE=1- MSLEVEL=2 60.3978 2.3E3 67.4102 2.3E3 76.8510 2.3E3 85.0029 3.4E3 89.0231 3.2E3 94.9234 2.9E3 96.8885 4.0E3 106.7415 2.5E3 117.6743 2.3E3 120.9202 2.5E3 124.9217 2.0E3 126.0802 2.1E3 145.8613 7.0E3 163.8710 3.5E3 178.9015 1.3E4 179.6960 2.2E3 215.0090 2.1E3 END IONS BEGIN IONS FEATURE_ID=948 PEPMASS=225.0606 SCANS=948 RTINSECONDS=386.2 CHARGE=1- MSLEVEL=2 55.3683 2.0E3 56.0679 2.1E3 65.4906 2.2E3 70.8535 2.0E3 72.7092 2.3E3 96.8913 2.3E3 104.3022 2.2E3 104.8914 2.1E3 105.9540 2.0E3 113.3975 2.5E3 122.1300 2.5E3 161.0441 7.3E3 179.0546 2.2E4 216.3269 2.6E3 225.0607 4.6E3 END IONS BEGIN IONS FEATURE_ID=949 PEPMASS=112.9839 SCANS=949 RTINSECONDS=386.746 CHARGE=1- MSLEVEL=2 55.1555 2.0E3 68.9943 3.3E4 69.7588 2.0E3 72.8896 3.2E3 72.8933 2.6E3 78.9482 2.4E3 84.9891 3.3E3 85.0031 4.9E3 96.8859 6.2E3 96.8922 5.8E3 112.9977 1.9E4 120.4462 2.0E3 123.4139 2.4E3 END IONS BEGIN IONS FEATURE_ID=950 PEPMASS=192.9976 SCANS=950 RTINSECONDS=387.278 CHARGE=1- MSLEVEL=2 57.9918 6.3E3 61.1753 3.4E3 80.2024 4.2E3 80.5446 3.8E3 84.9770 3.4E3 84.9921 1.6E4 84.9941 5.9E3 85.0028 2.0E6 96.8859 9.9E3 96.8926 9.1E3 126.3100 3.3E3 133.7363 3.3E3 145.3969 3.1E3 173.6937 3.8E3 188.3105 3.4E3 193.0865 7.0E3 END IONS BEGIN IONS FEATURE_ID=951 PEPMASS=211.0076 SCANS=951 RTINSECONDS=387.308 CHARGE=1- MSLEVEL=2 56.7184 2.4E3 59.0127 6.8E3 61.7383 2.2E3 66.3737 2.3E3 72.9820 3.4E3 77.5960 2.1E3 84.9100 2.1E3 85.0027 1.9E5 85.0101 3.1E3 96.8886 1.4E4 103.0135 4.9E3 126.5042 2.1E3 156.6938 2.5E3 214.6003 2.2E3 232.4876 2.2E3 END IONS BEGIN IONS FEATURE_ID=952 PEPMASS=84.9943 SCANS=952 RTINSECONDS=389.101 CHARGE=1- MSLEVEL=2 57.9921 5.0E5 68.0000 3.2E4 76.4142 3.0E4 85.0028 9.6E6 85.0133 5.1E4 96.8892 6.7E4 END IONS BEGIN IONS FEATURE_ID=953 PEPMASS=377.0867 SCANS=953 RTINSECONDS=389.862 CHARGE=1- MSLEVEL=2 59.0124 4.1E4 67.1939 3.7E3 71.0123 3.1E4 72.6867 3.4E3 74.8591 4.1E3 76.2285 3.6E3 85.7791 3.4E3 89.0227 5.6E4 93.9057 3.5E3 96.8899 5.7E3 101.0230 1.7E4 113.0228 1.6E4 119.0330 2.0E4 136.2840 4.0E3 140.6095 4.2E3 143.0338 6.6E3 143.2677 3.3E3 161.0444 4.7E3 179.0540 2.7E4 179.8512 3.7E3 197.0218 1.1E4 215.0316 6.0E4 341.1093 3.1E5 352.5343 4.3E3 367.7900 4.1E3 377.0865 4.9E5 END IONS BEGIN IONS FEATURE_ID=954 PEPMASS=133.0124 SCANS=954 RTINSECONDS=390.174 CHARGE=1- MSLEVEL=2 52.1013 3.8E3 59.0130 4.6E3 67.3737 4.1E3 71.0124 4.1E5 71.0174 9.0E3 72.9914 7.7E4 84.1432 3.7E3 87.0074 5.8E3 89.0227 4.5E4 89.1577 4.2E3 96.8899 7.1E3 104.0177 3.8E3 107.5483 5.1E3 115.0020 6.5E5 115.9193 5.7E3 127.0425 4.9E3 132.8662 3.3E4 133.0125 1.3E5 END IONS BEGIN IONS FEATURE_ID=955 PEPMASS=115.0015 SCANS=955 RTINSECONDS=390.19 CHARGE=1- MSLEVEL=2 51.5437 2.7E3 71.0124 1.4E4 82.5771 2.4E3 95.5884 2.0E3 96.2305 2.1E3 105.8980 2.0E3 115.0013 2.4E3 115.0288 7.8E3 122.8623 2.1E3 131.6055 2.0E3 END IONS BEGIN IONS FEATURE_ID=956 PEPMASS=102.0080 SCANS=956 RTINSECONDS=390.235 CHARGE=1- MSLEVEL=2 54.0226 2.2E3 55.5272 2.0E3 66.1931 1.8E3 68.7414 1.8E3 70.3064 2.1E3 73.7245 1.9E3 83.4671 2.1E3 83.5927 1.8E3 87.3725 1.9E3 96.8912 4.8E3 101.9317 2.1E3 102.0083 7.0E3 102.0542 2.3E4 116.9196 7.9E3 118.9124 1.9E3 END IONS BEGIN IONS FEATURE_ID=957 PEPMASS=475.1289 SCANS=957 RTINSECONDS=390.245 CHARGE=1- MSLEVEL=2 58.1591 2.4E3 63.8016 2.6E3 69.5696 2.8E3 70.8961 2.6E3 71.0125 1.2E4 72.8090 4.4E3 72.9918 3.4E3 93.4661 2.5E3 96.8908 1.3E4 115.0021 4.4E4 133.0126 1.8E5 237.6335 2.7E3 257.9052 3.0E3 305.9861 2.7E3 365.0998 2.8E3 424.3237 2.9E3 END IONS BEGIN IONS FEATURE_ID=958 PEPMASS=103.0160 SCANS=958 RTINSECONDS=390.256 CHARGE=1- MSLEVEL=2 58.5082 1.9E3 59.0124 1.1E5 63.9777 2.2E3 76.0050 3.3E4 80.6936 2.0E3 95.4184 2.0E3 96.8877 2.3E3 102.9305 2.3E3 103.0161 6.9E4 103.0278 2.0E3 117.6023 2.2E3 120.2243 2.0E3 END IONS BEGIN IONS FEATURE_ID=959 PEPMASS=191.0180 SCANS=959 RTINSECONDS=390.256 CHARGE=1- MSLEVEL=2 51.9419 2.0E3 57.0333 2.1E4 59.0124 2.6E3 67.0175 4.9E3 72.5611 4.3E3 77.6490 2.2E3 80.2876 2.2E3 85.0278 1.3E5 85.0339 4.2E3 85.0348 2.1E3 87.0071 1.9E5 96.8875 1.5E4 101.0228 4.4E3 102.9470 1.1E4 103.1903 2.4E3 106.7037 2.3E3 111.0071 5.8E5 113.9380 2.2E3 117.0281 2.2E3 129.0174 3.4E4 130.9973 2.9E3 146.9371 2.4E3 147.0281 7.9E3 154.9972 5.7E3 173.0076 6.9E3 187.6116 2.5E3 191.0186 7.3E4 191.0553 5.3E3 END IONS BEGIN IONS FEATURE_ID=960 PEPMASS=387.1164 SCANS=960 RTINSECONDS=390.298 CHARGE=1- MSLEVEL=2 59.0123 2.9E6 67.3273 1.1E5 71.0122 2.0E6 72.5488 9.1E4 72.7854 2.2E5 74.2743 1.1E5 84.1206 1.1E5 85.0278 2.9E5 87.0072 1.6E5 89.0227 3.8E6 95.0122 1.1E5 96.8874 6.2E5 101.0226 1.5E6 103.9013 9.5E4 112.2884 9.5E4 113.0225 1.5E6 119.0331 1.6E6 121.2079 1.0E5 131.0333 2.5E5 143.0328 5.6E5 146.6268 9.8E4 149.0437 1.5E5 150.6399 1.1E5 156.1965 1.2E5 161.0434 4.8E5 175.6443 1.0E5 179.0542 1.7E6 199.1571 1.2E5 218.4184 1.0E5 259.9757 1.5E5 341.1089 1.4E7 373.5092 1.1E5 379.7650 1.1E5 END IONS BEGIN IONS FEATURE_ID=961 PEPMASS=341.1100 SCANS=961 RTINSECONDS=390.299 CHARGE=1- MSLEVEL=2 55.0175 2.3E4 57.0331 3.1E4 58.0045 2.7E4 59.0126 4.1E6 64.2008 1.7E4 71.0124 2.7E6 72.6972 2.1E4 72.9914 4.6E4 73.0274 7.4E4 73.4461 1.4E4 77.2427 1.4E4 81.5862 1.6E4 83.0124 6.7E4 85.0278 2.3E5 87.0071 1.6E5 89.0229 3.6E6 95.0121 1.4E5 96.8852 2.6E4 96.8919 6.4E4 97.0272 1.8E4 101.0228 1.6E6 101.0318 2.0E4 107.0333 3.6E4 113.0227 1.4E6 113.0333 1.3E4 119.0212 1.6E4 119.0229 2.5E4 119.0332 1.2E6 122.4461 1.4E4 125.0232 5.2E4 131.0329 2.1E5 143.0334 3.9E5 149.0438 1.2E5 149.7194 1.5E4 161.0439 3.9E5 179.0545 1.2E6 188.0448 1.7E4 201.0312 1.9E4 202.3057 1.6E4 341.1089 3.8E6 END IONS BEGIN IONS FEATURE_ID=962 PEPMASS=683.2252 SCANS=962 RTINSECONDS=390.319 CHARGE=1- MSLEVEL=2 52.5980 3.2E3 58.0047 4.1E3 59.0125 2.8E5 65.5546 3.3E3 71.0124 2.2E5 71.0173 7.6E3 73.0279 3.7E3 76.7868 3.5E3 78.3171 3.2E3 79.8079 3.4E3 83.0120 4.6E3 85.0277 2.1E4 86.6606 3.5E3 87.0070 1.1E4 89.0228 2.8E5 89.0307 4.4E3 95.0120 7.2E3 96.8859 5.2E3 96.8913 7.1E3 101.0228 1.2E5 112.6094 3.3E3 113.0228 1.1E5 119.0333 9.5E4 120.0960 3.7E3 125.0220 5.7E3 125.9915 3.3E3 131.0335 1.3E4 143.0334 3.5E4 149.0440 1.2E4 155.2059 4.3E3 161.0440 2.7E4 179.0545 1.0E5 191.5644 3.8E3 230.3395 3.5E3 289.9511 3.9E3 341.1096 1.1E6 356.1008 3.8E3 END IONS BEGIN IONS FEATURE_ID=963 PEPMASS=384.1159 SCANS=963 RTINSECONDS=390.332 CHARGE=1- MSLEVEL=2 59.0123 2.8E4 59.8542 2.2E3 61.3559 2.3E3 71.0121 1.7E4 72.6028 5.0E3 78.5208 2.6E3 83.8404 2.6E3 89.0227 4.2E4 94.3211 2.3E3 96.8857 9.2E3 96.8926 7.9E3 101.0226 1.9E4 102.0276 2.5E3 113.0226 1.7E4 119.0330 1.4E4 131.0334 4.4E3 143.0333 3.4E3 161.0440 5.0E3 179.0552 2.0E4 193.0573 2.7E3 283.3019 2.6E3 320.7638 2.7E3 341.1091 1.6E5 END IONS BEGIN IONS FEATURE_ID=964 PEPMASS=404.1032 SCANS=964 RTINSECONDS=390.364 CHARGE=1- MSLEVEL=2 52.5608 2.4E3 52.6990 2.4E3 61.9871 8.8E5 61.9924 3.2E3 61.9936 4.3E3 70.7406 2.8E3 104.2911 2.7E3 199.9240 2.6E3 404.1049 6.3E3 426.4084 2.8E3 END IONS BEGIN IONS FEATURE_ID=965 PEPMASS=426.1233 SCANS=965 RTINSECONDS=390.369 CHARGE=1- MSLEVEL=2 54.5480 2.3E3 57.5473 2.3E3 59.0121 1.3E4 59.1789 2.4E3 71.0124 8.8E3 72.8842 3.9E3 76.7527 2.7E3 83.0233 1.5E4 84.0073 6.1E4 89.0223 1.5E4 89.5401 2.6E3 96.8846 6.1E3 96.8912 1.3E4 101.0232 4.6E3 104.5330 2.6E3 113.0228 5.2E3 119.0337 7.3E3 179.0553 9.2E3 225.6751 2.4E3 268.3134 2.5E3 341.1089 6.0E4 387.7840 2.9E3 END IONS BEGIN IONS FEATURE_ID=966 PEPMASS=100.9315 SCANS=966 RTINSECONDS=390.399 CHARGE=1- MSLEVEL=2 52.7893 2.0E3 55.6294 2.1E3 57.1114 2.6E3 63.1782 2.0E3 64.3148 1.9E3 96.8886 2.9E3 99.9239 3.7E4 100.9028 2.8E3 100.9320 4.5E4 115.9190 1.7E5 116.9268 2.6E3 END IONS BEGIN IONS FEATURE_ID=967 PEPMASS=427.1210 SCANS=967 RTINSECONDS=390.448 CHARGE=1- MSLEVEL=2 57.9921 3.1E4 85.0029 5.4E6 85.0135 3.4E4 96.8869 1.4E4 113.5029 1.2E4 135.1321 1.2E4 159.0684 9.7E3 165.9806 1.2E4 179.6160 1.0E4 229.0472 1.1E4 363.1953 1.2E4 374.9846 1.1E4 410.5417 1.2E4 444.5899 1.2E4 END IONS BEGIN IONS FEATURE_ID=968 PEPMASS=445.1293 SCANS=968 RTINSECONDS=390.535 CHARGE=1- MSLEVEL=2 59.0124 1.3E5 73.9109 2.5E3 75.0074 9.6E3 96.8890 3.1E3 102.9552 2.3E4 103.0028 2.6E4 103.0133 1.5E5 110.3114 2.8E3 118.5404 2.8E3 128.0492 3.1E3 140.8626 3.0E3 188.1439 2.5E3 198.3770 3.3E3 252.8418 2.8E3 267.8795 3.0E3 269.7996 2.7E3 288.9921 2.6E3 387.6013 2.8E3 425.1918 2.7E3 459.8149 3.3E3 END IONS BEGIN IONS FEATURE_ID=969 PEPMASS=390.1227 SCANS=969 RTINSECONDS=390.615 CHARGE=1- MSLEVEL=2 59.0126 8.3E3 60.4565 3.0E3 71.0121 5.5E3 71.9496 2.7E3 89.0230 9.8E3 90.0266 3.9E3 101.0230 5.8E3 113.0223 3.0E3 119.0338 3.8E3 269.0516 2.7E3 342.1151 6.2E3 344.1183 4.8E4 373.7700 2.5E3 END IONS BEGIN IONS FEATURE_ID=970 PEPMASS=463.1186 SCANS=970 RTINSECONDS=390.679 CHARGE=1- MSLEVEL=2 50.0023 2.5E4 59.0125 4.3E3 60.4652 2.5E3 67.9159 2.7E3 77.0130 1.7E5 93.3804 2.8E3 96.8868 2.7E3 121.0023 2.3E4 147.8562 2.7E3 152.8563 2.7E3 259.2161 2.7E3 341.1079 2.0E4 END IONS BEGIN IONS FEATURE_ID=971 PEPMASS=85.0056 SCANS=971 RTINSECONDS=390.803 CHARGE=1- MSLEVEL=2 57.9920 4.4E5 58.6055 2.9E4 67.9998 4.1E4 85.0028 9.1E6 91.8469 3.1E4 96.8882 4.8E4 101.1213 3.5E4 END IONS BEGIN IONS FEATURE_ID=972 PEPMASS=455.1006 SCANS=972 RTINSECONDS=390.871 CHARGE=1- MSLEVEL=2 59.0124 3.7E3 68.9941 3.3E4 72.8208 5.2E3 81.7980 2.9E3 89.0225 5.1E3 91.8599 2.5E3 96.8918 1.1E4 101.0228 3.9E3 112.9839 5.3E5 149.3379 2.6E3 161.0952 3.0E3 235.9617 2.9E3 341.1083 4.0E4 409.0964 3.5E4 428.9290 2.7E3 442.2714 2.7E3 END IONS BEGIN IONS FEATURE_ID=973 PEPMASS=85.9991 SCANS=973 RTINSECONDS=390.874 CHARGE=1- MSLEVEL=2 56.4988 2.1E3 57.7766 2.1E3 57.9919 5.0E3 58.9952 4.2E3 86.0000 5.8E4 86.0062 2.1E5 96.8879 3.1E3 END IONS BEGIN IONS FEATURE_ID=974 PEPMASS=104.0272 SCANS=974 RTINSECONDS=391.126 CHARGE=1- MSLEVEL=2 54.3770 5.3E3 57.7949 4.8E3 58.0340 4.6E3 60.4516 6.7E3 69.3472 4.9E3 78.0991 5.6E3 96.8881 9.3E3 98.9313 5.6E3 104.0241 1.3E4 115.5420 5.0E3 END IONS BEGIN IONS FEATURE_ID=975 PEPMASS=85.0117 SCANS=975 RTINSECONDS=391.296 CHARGE=1- MSLEVEL=2 56.8361 2.6E4 57.9920 5.0E5 59.7633 2.5E4 68.0000 4.8E4 71.4178 2.4E4 85.0027 8.9E6 96.8876 5.9E4 97.4444 2.8E4 END IONS BEGIN IONS FEATURE_ID=976 PEPMASS=84.9957 SCANS=976 RTINSECONDS=391.88 CHARGE=1- MSLEVEL=2 57.9921 4.4E5 74.8731 3.1E4 85.0028 8.2E6 96.8865 3.7E4 96.8920 3.2E4 END IONS BEGIN IONS FEATURE_ID=977 PEPMASS=85.0083 SCANS=977 RTINSECONDS=392.082 CHARGE=1- MSLEVEL=2 51.5204 3.5E4 54.7245 2.7E4 57.9920 4.1E5 60.1446 3.0E4 85.0028 9.2E6 95.2237 3.0E4 96.8871 3.7E4 END IONS BEGIN IONS FEATURE_ID=978 PEPMASS=86.0055 SCANS=978 RTINSECONDS=392.094 CHARGE=1- MSLEVEL=2 50.8902 2.5E3 57.9922 6.2E3 58.9955 5.0E3 60.4872 2.4E3 65.7990 2.0E3 78.3302 2.4E3 86.0000 6.0E4 86.0062 1.8E5 96.8879 3.7E3 100.3464 2.1E3 END IONS BEGIN IONS FEATURE_ID=979 PEPMASS=104.0294 SCANS=979 RTINSECONDS=392.823 CHARGE=1- MSLEVEL=2 66.4800 3.7E3 67.5130 4.0E3 88.0489 3.8E3 96.8886 6.5E3 104.0239 8.5E3 END IONS BEGIN IONS FEATURE_ID=980 PEPMASS=199.0224 SCANS=980 RTINSECONDS=395.083 CHARGE=1- MSLEVEL=2 62.9580 7.2E5 68.9889 2.9E3 78.9517 1.5E4 80.9599 2.8E3 80.9672 1.3E5 80.9721 3.8E3 96.8931 4.1E3 96.8983 2.5E3 100.4048 2.2E3 114.9904 2.8E3 118.9823 2.5E3 120.7167 2.5E3 132.9791 3.5E3 134.9949 6.2E3 139.7382 2.3E3 178.9793 7.2E3 189.1432 2.6E3 198.9704 3.8E3 198.9849 5.2E3 198.9918 6.6E3 199.0223 6.9E5 200.0260 2.6E4 204.2702 2.5E3 END IONS BEGIN IONS FEATURE_ID=981 PEPMASS=84.9976 SCANS=981 RTINSECONDS=395.329 CHARGE=1- MSLEVEL=2 50.1664 1.7E4 53.6935 1.7E4 57.9920 2.2E5 62.0413 1.9E4 67.9999 2.5E4 72.7374 2.6E4 72.7410 3.9E4 80.2008 1.8E4 85.0027 4.7E6 87.0122 1.9E4 91.1059 1.7E4 96.8872 1.2E5 END IONS BEGIN IONS FEATURE_ID=982 PEPMASS=103.0132 SCANS=982 RTINSECONDS=395.492 CHARGE=1- MSLEVEL=2 51.5361 2.7E3 54.3388 1.9E3 59.0083 2.7E3 59.0125 2.4E5 60.7454 2.1E3 76.0053 1.7E4 82.7707 2.0E3 100.3185 2.3E3 103.0161 4.6E4 103.0277 2.2E3 END IONS BEGIN IONS FEATURE_ID=983 PEPMASS=102.0081 SCANS=983 RTINSECONDS=396.73 CHARGE=1- MSLEVEL=2 53.4236 2.0E3 65.6994 2.2E3 67.0724 2.1E3 69.4910 1.8E3 72.5887 2.3E3 79.0946 2.4E3 94.0785 2.0E3 102.0081 1.2E4 107.4707 2.2E3 116.9197 5.7E3 END IONS BEGIN IONS FEATURE_ID=984 PEPMASS=85.0000 SCANS=984 RTINSECONDS=396.967 CHARGE=1- MSLEVEL=2 57.9919 4.1E5 59.2830 2.3E4 67.9998 4.0E4 74.2549 2.5E4 76.2020 2.1E4 84.9921 4.2E4 85.0027 8.0E6 92.1807 2.3E4 93.3955 2.4E4 96.8897 3.5E4 END IONS BEGIN IONS FEATURE_ID=985 PEPMASS=112.9840 SCANS=985 RTINSECONDS=397.267 CHARGE=1- MSLEVEL=2 51.1731 2.2E3 54.2636 2.0E3 54.7037 2.2E3 56.6136 2.0E3 60.4709 2.4E3 66.0064 1.9E3 66.0361 2.0E3 68.9941 5.1E4 70.0281 8.8E3 71.0228 2.0E3 73.9156 2.4E3 85.0386 4.9E3 90.4772 2.0E3 90.4832 2.1E3 95.0232 3.4E4 96.0072 3.2E4 96.8894 8.0E3 97.0149 3.2E3 112.9842 2.1E3 112.9979 1.4E4 113.0220 2.9E3 113.0339 1.1E5 113.0442 2.3E3 114.0177 2.5E3 END IONS BEGIN IONS FEATURE_ID=986 PEPMASS=192.9977 SCANS=986 RTINSECONDS=397.406 CHARGE=1- MSLEVEL=2 57.9920 6.6E3 84.9922 1.6E4 84.9947 1.0E4 85.0029 2.4E6 85.0136 1.4E4 98.3122 3.4E3 122.2538 3.4E3 155.0683 3.2E3 165.4453 3.2E3 193.0859 7.1E3 END IONS BEGIN IONS FEATURE_ID=987 PEPMASS=104.0271 SCANS=987 RTINSECONDS=397.885 CHARGE=1- MSLEVEL=2 59.7810 3.4E3 64.0304 3.7E3 72.0075 5.1E4 74.0230 1.1E5 74.0291 3.8E3 83.1845 3.2E3 96.8878 4.3E3 104.0237 9.9E3 104.0338 3.6E4 END IONS BEGIN IONS FEATURE_ID=988 PEPMASS=211.0077 SCANS=988 RTINSECONDS=398.006 CHARGE=1- MSLEVEL=2 59.0123 1.2E4 65.4702 2.2E3 69.7528 2.1E3 81.1822 2.3E3 85.0027 2.9E5 103.0134 8.0E3 139.4248 2.4E3 139.7813 2.5E3 180.4292 2.2E3 212.7079 2.2E3 END IONS BEGIN IONS FEATURE_ID=989 PEPMASS=85.0059 SCANS=989 RTINSECONDS=399.16 CHARGE=1- MSLEVEL=2 52.4594 3.3E4 57.9921 6.3E5 65.4806 3.3E4 81.9664 3.2E4 85.0029 1.2E7 85.0134 8.7E4 89.8119 3.1E4 94.6224 3.1E4 96.8877 9.0E4 END IONS BEGIN IONS FEATURE_ID=990 PEPMASS=96.9580 SCANS=990 RTINSECONDS=399.999 CHARGE=1- MSLEVEL=2 51.5145 2.3E3 51.5176 2.4E3 53.1959 2.0E3 70.7030 1.9E3 75.2434 2.0E3 78.9576 1.2E4 79.9558 1.7E4 96.8861 2.7E3 96.9585 3.1E5 97.4965 2.3E3 107.7891 2.1E3 END IONS BEGIN IONS FEATURE_ID=991 PEPMASS=104.0294 SCANS=991 RTINSECONDS=401.327 CHARGE=1- MSLEVEL=2 60.0162 4.5E3 60.4979 3.6E3 65.9064 5.1E3 71.9963 4.1E3 96.8118 4.5E3 97.1204 4.3E3 104.0243 8.6E3 105.7222 4.2E3 115.9188 4.5E3 116.5581 4.2E3 END IONS BEGIN IONS FEATURE_ID=992 PEPMASS=315.0817 SCANS=992 RTINSECONDS=402.359 CHARGE=1- MSLEVEL=2 71.2844 2.6E3 81.3240 2.2E3 96.8891 4.1E3 102.0543 3.7E4 128.0234 4.4E3 128.0332 3.9E4 146.0442 2.1E5 168.0262 6.3E4 220.8393 2.7E3 315.0808 3.7E4 END IONS BEGIN IONS FEATURE_ID=993 PEPMASS=315.0810 SCANS=993 RTINSECONDS=402.402 CHARGE=1- MSLEVEL=2 61.5859 2.1E3 63.7896 2.3E3 64.1407 2.6E3 69.8214 2.2E3 70.8579 2.4E3 80.3327 2.6E3 96.8852 5.1E3 96.8913 7.5E3 100.2140 2.7E3 102.0545 2.5E4 105.7967 2.2E3 113.1494 2.3E3 124.0092 2.3E3 128.0332 2.6E4 146.0444 1.6E5 168.0269 4.3E4 195.8963 2.6E3 315.0796 1.8E4 319.0208 3.1E3 END IONS BEGIN IONS FEATURE_ID=994 PEPMASS=191.0190 SCANS=994 RTINSECONDS=402.412 CHARGE=1- MSLEVEL=2 57.0332 2.9E4 59.0122 3.7E3 61.3993 2.4E3 67.0176 4.4E3 67.0744 2.3E3 85.0278 1.7E5 87.0070 2.6E5 96.8901 4.4E3 101.0227 5.3E3 102.9472 1.3E4 111.0071 7.5E5 111.0230 4.9E3 129.0174 4.2E4 129.0420 2.2E3 129.0539 2.9E3 130.9969 3.4E3 133.0132 2.6E3 146.9381 2.5E3 147.0283 1.1E4 154.9969 5.4E3 169.2945 2.6E3 173.0071 1.3E4 191.0186 9.0E4 191.0553 1.0E4 END IONS BEGIN IONS FEATURE_ID=995 PEPMASS=147.0473 SCANS=995 RTINSECONDS=402.446 CHARGE=1- MSLEVEL=2 53.7395 2.0E3 59.0126 2.2E3 61.9868 2.5E3 62.5898 2.1E3 63.7662 2.6E3 73.1820 2.6E3 85.0274 3.5E3 87.0074 3.6E3 94.8356 2.1E3 96.8884 1.0E4 102.0547 1.3E4 103.0579 5.6E4 129.0370 2.7E4 147.0480 1.4E4 157.0401 2.3E3 164.5228 2.3E3 166.8705 2.4E3 END IONS BEGIN IONS FEATURE_ID=996 PEPMASS=102.0540 SCANS=996 RTINSECONDS=402.498 CHARGE=1- MSLEVEL=2 50.7328 2.4E3 50.7352 2.0E3 85.2999 2.0E3 96.8912 4.5E3 99.9242 2.2E3 102.0081 5.4E3 102.0543 2.9E4 108.4534 2.5E3 116.9194 7.8E3 END IONS BEGIN IONS FEATURE_ID=997 PEPMASS=146.0447 SCANS=997 RTINSECONDS=402.501 CHARGE=1- MSLEVEL=2 61.4497 8.0E3 85.0278 9.3E3 96.8904 1.2E4 102.0545 9.2E5 117.1641 8.0E3 128.0335 3.8E5 131.7959 7.7E3 146.0442 1.7E5 157.2952 7.5E3 END IONS BEGIN IONS FEATURE_ID=998 PEPMASS=191.0180 SCANS=998 RTINSECONDS=402.525 CHARGE=1- MSLEVEL=2 51.5410 2.6E3 53.0132 2.2E3 57.0332 1.9E4 62.2401 2.1E3 67.0173 2.6E3 74.6271 2.3E3 79.0212 2.1E3 85.0278 1.0E5 87.0070 1.5E5 96.8906 3.9E3 102.9470 8.9E3 111.0070 4.4E5 129.0172 2.1E4 130.9975 2.1E3 143.8330 2.5E3 146.9360 2.6E3 147.0280 3.8E3 148.1319 2.6E3 154.9974 3.6E3 164.6943 2.2E3 173.0077 7.6E3 190.3054 2.6E3 191.0185 5.3E4 191.0548 5.6E3 205.8198 2.5E3 END IONS BEGIN IONS FEATURE_ID=999 PEPMASS=128.0330 SCANS=999 RTINSECONDS=402.527 CHARGE=1- MSLEVEL=2 51.5236 2.7E3 57.8160 2.0E3 64.5639 1.9E3 76.0061 2.2E3 84.3820 2.1E3 96.8902 4.0E3 102.0498 2.0E3 106.0198 2.0E3 111.5260 1.9E3 128.0111 3.5E4 128.0333 5.5E4 145.7244 2.4E3 END IONS BEGIN IONS FEATURE_ID=1000 PEPMASS=133.0130 SCANS=1000 RTINSECONDS=402.612 CHARGE=1- MSLEVEL=2 59.0126 9.5E3 61.4156 9.1E3 69.0496 8.6E3 71.0068 1.1E4 71.0124 8.7E5 72.9916 1.5E5 87.0071 1.1E4 89.0229 8.9E4 96.8878 1.1E4 115.0021 1.4E6 116.8665 9.4E3 132.8667 4.8E4 133.0126 3.2E5 137.4126 7.8E3 END IONS BEGIN IONS FEATURE_ID=1001 PEPMASS=115.0016 SCANS=1001 RTINSECONDS=402.679 CHARGE=1- MSLEVEL=2 50.0611 1.9E3 54.0219 2.0E3 71.0124 4.1E4 73.0389 2.9E3 78.7739 2.3E3 83.7003 2.2E3 110.8302 2.2E3 114.9328 7.1E3 115.0023 5.2E3 115.0287 7.1E3 122.0347 2.1E3 125.4488 2.0E3 END IONS BEGIN IONS FEATURE_ID=1002 PEPMASS=145.0601 SCANS=1002 RTINSECONDS=402.977 CHARGE=1- MSLEVEL=2 51.5257 2.6E3 53.1613 2.3E3 58.0286 6.2E3 74.0230 1.1E4 82.0281 4.8E3 84.0440 2.0E4 86.0232 3.8E3 96.8900 3.5E3 98.0227 3.1E3 99.0543 3.2E3 101.0708 8.8E3 102.0546 1.1E4 107.0236 3.0E3 109.0394 1.5E4 115.9194 4.0E3 125.0338 7.1E3 127.0496 4.2E4 128.0338 2.9E4 141.8813 2.2E3 145.0603 3.6E4 146.0442 2.5E3 161.0093 2.5E3 163.0687 2.0E3 END IONS BEGIN IONS FEATURE_ID=1003 PEPMASS=84.9974 SCANS=1003 RTINSECONDS=403.524 CHARGE=1- MSLEVEL=2 57.9920 4.7E5 84.4301 2.6E4 85.0028 8.5E6 88.4735 2.9E4 96.8902 9.0E4 98.2481 2.6E4 100.5380 2.7E4 END IONS BEGIN IONS FEATURE_ID=1004 PEPMASS=85.0121 SCANS=1004 RTINSECONDS=403.53 CHARGE=1- MSLEVEL=2 56.0355 2.8E4 57.9920 4.9E5 64.7332 2.8E4 70.9212 2.5E4 77.5183 2.4E4 85.0028 8.7E6 96.8900 3.6E4 99.0632 2.3E4 END IONS BEGIN IONS FEATURE_ID=1005 PEPMASS=84.9941 SCANS=1005 RTINSECONDS=404.168 CHARGE=1- MSLEVEL=2 56.7135 3.5E4 57.9920 5.6E5 63.7302 3.4E4 72.0778 3.9E4 78.3901 3.2E4 85.0028 1.1E7 86.5801 3.2E4 END IONS BEGIN IONS FEATURE_ID=1006 PEPMASS=215.0324 SCANS=1006 RTINSECONDS=404.308 CHARGE=1- MSLEVEL=2 50.9765 2.3E3 51.5114 2.1E3 51.5152 2.7E3 52.5266 2.3E3 55.0930 2.0E3 89.6222 2.1E3 96.8865 5.3E3 96.8930 4.5E3 108.8846 2.3E3 115.4124 2.3E3 149.3587 2.1E3 161.2610 2.4E3 173.4371 2.6E3 188.5882 2.3E3 197.2113 2.4E3 215.0104 3.0E3 215.0325 3.4E3 END IONS BEGIN IONS FEATURE_ID=1007 PEPMASS=217.0292 SCANS=1007 RTINSECONDS=404.342 CHARGE=1- MSLEVEL=2 55.1273 2.2E3 86.8136 2.1E3 88.0386 1.8E4 96.8925 3.3E3 119.1571 2.7E3 128.0341 8.4E3 129.1018 6.3E3 153.6568 2.3E3 155.0817 3.8E3 173.0912 1.1E4 199.0720 1.0E4 217.0251 4.0E3 217.0832 1.5E4 END IONS BEGIN IONS FEATURE_ID=1008 PEPMASS=225.0614 SCANS=1008 RTINSECONDS=404.578 CHARGE=1- MSLEVEL=2 51.2887 2.4E3 51.6115 2.5E3 58.7544 2.4E3 71.9864 2.4E3 87.0070 1.1E4 98.5991 2.5E3 117.0180 4.8E3 125.0227 2.6E3 161.0438 2.0E4 179.0546 1.2E5 225.0616 7.0E3 END IONS BEGIN IONS FEATURE_ID=1009 PEPMASS=179.0541 SCANS=1009 RTINSECONDS=404.641 CHARGE=1- MSLEVEL=2 51.5356 2.7E3 53.1209 2.2E3 54.2258 2.0E3 59.0123 2.0E4 59.2116 2.3E3 65.0845 2.4E3 69.0331 3.0E3 71.0122 2.4E4 73.0278 9.5E3 75.0069 3.9E4 81.0328 3.4E3 83.0122 5.6E3 85.0277 2.2E4 87.0070 8.9E4 88.4685 2.2E3 89.0224 1.0E4 96.8895 3.3E3 97.0278 6.0E3 99.0068 2.3E4 101.0229 1.2E4 113.0223 3.3E3 117.0175 2.3E4 125.0227 1.8E4 129.0168 2.3E3 141.0183 1.2E4 143.0332 4.5E3 159.0284 7.0E3 161.0441 8.8E4 177.0389 3.1E3 178.3331 2.2E3 179.0547 1.4E5 END IONS BEGIN IONS FEATURE_ID=1010 PEPMASS=103.0130 SCANS=1010 RTINSECONDS=405.765 CHARGE=1- MSLEVEL=2 58.1002 1.9E3 59.0124 1.5E5 60.2570 2.0E3 76.0050 1.2E4 90.3109 2.0E3 96.8900 2.4E3 97.2217 2.3E3 101.3159 2.1E3 103.0161 3.2E4 103.0278 2.1E3 103.7028 2.0E3 104.6456 2.5E3 120.7150 2.1E3 124.8491 2.6E3 END IONS BEGIN IONS FEATURE_ID=1011 PEPMASS=192.9976 SCANS=1011 RTINSECONDS=406.323 CHARGE=1- MSLEVEL=2 57.9920 4.8E3 70.7062 4.0E3 73.4381 3.9E3 75.5291 3.7E3 84.5452 4.0E3 84.9921 1.7E4 84.9947 7.2E3 85.0029 2.3E6 85.0135 1.3E4 96.8913 3.8E3 193.0869 8.3E3 END IONS BEGIN IONS FEATURE_ID=1012 PEPMASS=211.0077 SCANS=1012 RTINSECONDS=406.589 CHARGE=1- MSLEVEL=2 55.1943 2.3E3 59.0123 1.2E4 61.5708 2.4E3 85.0027 2.5E5 87.2381 2.2E3 96.8871 2.4E3 103.0133 8.1E3 119.5597 2.3E3 END IONS BEGIN IONS FEATURE_ID=1013 PEPMASS=104.0270 SCANS=1013 RTINSECONDS=406.89 CHARGE=1- MSLEVEL=2 53.9927 4.1E3 54.1825 3.3E3 60.5009 3.5E3 79.0759 3.2E3 83.0424 2.9E3 84.6289 3.3E3 96.8897 1.2E4 99.1419 3.3E3 104.0239 1.1E4 108.9122 3.1E3 END IONS BEGIN IONS FEATURE_ID=1014 PEPMASS=84.9996 SCANS=1014 RTINSECONDS=407.171 CHARGE=1- MSLEVEL=2 51.1665 3.2E4 57.9920 4.7E5 63.5565 4.1E4 71.9432 4.1E4 71.9981 3.8E4 85.0028 9.6E6 85.7106 3.1E4 94.1012 3.5E4 94.2365 3.1E4 END IONS BEGIN IONS FEATURE_ID=1015 PEPMASS=85.0119 SCANS=1015 RTINSECONDS=407.805 CHARGE=1- MSLEVEL=2 50.8006 2.7E4 57.9920 4.2E5 66.9176 2.6E4 67.9998 2.8E4 85.0028 8.4E6 85.4262 2.8E4 96.8909 4.9E4 END IONS BEGIN IONS FEATURE_ID=1016 PEPMASS=133.0120 SCANS=1016 RTINSECONDS=408.633 CHARGE=1- MSLEVEL=2 61.1577 2.0E3 62.7145 2.1E3 71.0123 9.5E4 72.5311 2.5E3 72.9913 1.7E4 89.0226 1.2E4 96.8865 5.0E3 113.0348 2.3E3 115.0020 1.4E5 115.0382 3.5E3 116.0227 4.6E3 125.7477 2.4E3 132.8661 2.3E4 133.0126 2.8E4 END IONS BEGIN IONS FEATURE_ID=1017 PEPMASS=285.0813 SCANS=1017 RTINSECONDS=408.958 CHARGE=1- MSLEVEL=2 53.8795 2.4E3 62.3536 3.0E3 70.0282 1.8E4 71.0237 1.0E4 72.0076 7.7E3 77.2720 2.5E3 89.7462 2.6E3 95.0232 3.4E4 96.8893 7.5E3 104.7318 2.5E3 107.0950 2.8E3 111.0184 1.7E4 113.0340 3.0E5 114.0181 1.5E5 131.0245 3.9E3 131.0448 8.8E5 181.2522 2.5E3 196.8203 2.6E3 218.8145 2.6E3 232.2274 3.0E3 267.0716 1.4E4 285.0818 8.5E4 289.8141 2.6E3 291.5155 2.4E3 END IONS BEGIN IONS FEATURE_ID=1018 PEPMASS=131.0451 SCANS=1018 RTINSECONDS=409.039 CHARGE=1- MSLEVEL=2 54.0148 1.1E4 58.0285 5.7E4 63.7478 1.1E4 63.7520 1.3E4 70.0283 5.7E5 71.0122 2.0E4 71.0235 1.3E5 72.0074 1.9E5 87.0545 1.2E4 95.0232 2.6E5 96.8886 2.6E4 108.9166 1.2E4 111.0188 4.5E4 113.0338 6.3E5 114.0180 1.1E6 131.0442 1.6E5 END IONS BEGIN IONS FEATURE_ID=1019 PEPMASS=191.0190 SCANS=1019 RTINSECONDS=409.06 CHARGE=1- MSLEVEL=2 57.0333 3.0E4 59.0126 2.6E3 67.0173 6.6E3 83.5739 2.4E3 85.0279 1.8E5 87.0072 2.7E5 96.8874 2.7E3 101.0229 3.9E3 102.9475 6.5E3 103.0383 2.4E3 111.0073 7.9E5 113.0341 3.3E3 129.0177 4.0E4 129.0537 2.7E3 130.9971 2.9E3 131.0446 8.7E3 147.0284 6.1E3 154.9970 6.5E3 173.0082 1.4E4 191.0189 9.8E4 191.0551 5.1E3 END IONS BEGIN IONS FEATURE_ID=1020 PEPMASS=216.0229 SCANS=1020 RTINSECONDS=409.072 CHARGE=1- MSLEVEL=2 50.3581 2.2E3 61.9869 1.2E5 61.9910 3.4E3 64.7097 2.0E3 71.4405 2.0E3 77.4117 2.0E3 96.8882 3.2E3 99.2568 2.7E3 111.0074 8.7E3 113.0342 2.4E4 113.8951 2.4E3 114.0184 7.4E3 131.0446 6.3E4 133.8240 2.4E3 135.7082 2.5E3 144.4554 2.2E3 198.0131 2.8E3 216.0243 6.8E3 231.1014 2.5E3 END IONS BEGIN IONS FEATURE_ID=1021 PEPMASS=191.0180 SCANS=1021 RTINSECONDS=409.089 CHARGE=1- MSLEVEL=2 50.9780 2.3E3 57.0332 2.7E4 59.0124 4.2E3 67.0174 6.7E3 69.8009 2.4E3 79.2079 2.2E3 85.0280 1.4E5 85.3760 2.1E3 87.0072 2.1E5 87.0138 3.5E3 87.0150 2.5E3 102.9470 5.0E3 111.0073 5.9E5 114.0175 3.2E3 129.0177 3.1E4 131.0448 8.8E3 147.0285 5.4E3 147.5792 2.6E3 154.9972 7.3E3 173.0081 1.1E4 191.0188 6.4E4 191.0561 1.1E4 END IONS BEGIN IONS FEATURE_ID=1022 PEPMASS=114.0176 SCANS=1022 RTINSECONDS=409.09 CHARGE=1- MSLEVEL=2 52.7238 2.1E3 52.9320 1.8E3 54.4454 1.9E3 66.7645 2.1E3 66.9122 2.1E3 70.0284 6.1E4 71.0126 6.7E3 71.5458 2.6E3 71.6517 2.2E3 72.0078 5.1E3 77.9888 2.7E3 79.6795 2.2E3 88.9671 2.3E3 96.8928 1.9E3 114.0110 2.2E3 114.0179 1.3E4 114.0376 8.4E3 END IONS BEGIN IONS FEATURE_ID=1023 PEPMASS=113.0337 SCANS=1023 RTINSECONDS=409.106 CHARGE=1- MSLEVEL=2 51.3355 1.9E3 68.9942 4.5E4 70.0283 5.2E3 71.0808 2.2E3 78.4660 2.3E3 81.6939 2.0E3 84.9893 3.6E3 85.0028 2.2E3 85.0388 2.6E3 93.6470 2.0E3 95.0233 2.2E4 96.0073 2.6E4 96.8903 6.5E3 97.0149 4.3E3 100.3567 1.8E3 101.7045 2.1E3 112.9975 1.3E4 113.0341 7.3E4 END IONS BEGIN IONS FEATURE_ID=1024 PEPMASS=131.0439 SCANS=1024 RTINSECONDS=409.111 CHARGE=1- MSLEVEL=2 50.9880 1.9E3 58.0284 3.2E3 65.9970 3.3E3 70.0282 3.1E4 71.0236 6.9E3 72.0075 1.1E4 78.8455 2.2E3 81.0136 2.1E3 82.8102 2.0E3 95.0231 1.4E4 95.1941 1.9E3 96.8883 3.0E3 100.8679 1.9E3 111.0183 4.2E3 112.2399 2.0E3 113.0340 3.6E4 114.0180 6.8E4 123.8627 2.1E3 131.0346 1.3E4 131.0451 1.2E4 END IONS BEGIN IONS FEATURE_ID=1025 PEPMASS=115.0015 SCANS=1025 RTINSECONDS=409.186 CHARGE=1- MSLEVEL=2 67.5281 2.3E3 70.7522 1.9E3 71.0123 3.4E4 73.0392 2.6E3 86.8682 2.3E3 91.0275 2.1E3 94.3998 2.1E3 96.2556 1.9E3 96.8888 3.8E3 98.4351 1.8E3 115.0024 4.3E3 115.0285 4.4E3 END IONS BEGIN IONS FEATURE_ID=1026 PEPMASS=132.0473 SCANS=1026 RTINSECONDS=409.291 CHARGE=1- MSLEVEL=2 51.5066 2.1E3 53.6228 2.0E3 58.0283 2.3E3 70.0284 1.2E4 71.0122 7.0E3 71.0315 1.8E4 72.0076 7.9E3 72.0267 3.3E3 73.0109 3.4E3 96.0212 2.5E3 96.0262 1.2E4 96.8875 2.7E3 102.1911 2.2E3 109.8596 2.2E3 112.0223 2.6E3 114.0182 4.2E3 114.0303 4.0E3 114.0374 3.8E4 115.0018 1.4E4 115.0216 5.9E4 119.6524 2.4E3 129.9340 2.4E3 132.0486 1.1E4 132.8661 5.1E3 149.5041 2.2E3 END IONS BEGIN IONS FEATURE_ID=1027 PEPMASS=133.0129 SCANS=1027 RTINSECONDS=409.428 CHARGE=1- MSLEVEL=2 54.4674 8.3E3 56.8829 7.1E3 57.0110 7.0E3 59.0125 1.0E4 60.4647 7.7E3 64.1688 8.3E3 64.9718 7.9E3 71.0124 7.0E5 71.0174 1.6E4 71.0180 8.8E3 72.9915 1.3E5 83.0525 9.2E3 86.8205 7.2E3 87.0077 9.1E3 89.0227 7.3E4 90.0537 6.5E3 96.8896 1.1E4 105.8692 7.6E3 111.9336 7.3E3 115.0022 1.1E6 132.8666 2.2E4 133.0127 2.8E5 END IONS BEGIN IONS FEATURE_ID=1028 PEPMASS=193.0051 SCANS=1028 RTINSECONDS=409.442 CHARGE=1- MSLEVEL=2 57.9919 4.2E3 79.7057 2.6E3 81.1472 2.8E3 84.9921 1.7E4 84.9942 1.1E4 85.0028 2.3E6 85.0113 1.2E4 85.0135 1.4E4 85.0163 6.8E3 94.9140 3.1E3 96.8863 3.3E3 96.8918 4.9E3 106.9149 3.2E3 152.0359 3.2E3 165.9158 2.8E3 174.1812 3.2E3 189.9406 3.5E3 193.0272 2.9E3 193.0863 8.9E3 213.1932 3.3E3 END IONS BEGIN IONS FEATURE_ID=1029 PEPMASS=84.9962 SCANS=1029 RTINSECONDS=409.98 CHARGE=1- MSLEVEL=2 55.6904 1.5E4 57.9921 1.9E5 68.0002 1.9E4 71.1695 1.6E4 85.0028 4.0E6 96.8904 2.4E4 102.4156 1.6E4 END IONS BEGIN IONS FEATURE_ID=1030 PEPMASS=199.0345 SCANS=1030 RTINSECONDS=410.344 CHARGE=1- MSLEVEL=2 56.3076 2.2E3 62.9627 1.4E5 70.0274 2.6E3 71.0233 2.6E3 80.9729 3.8E4 88.5846 2.2E3 90.2585 2.7E3 93.0817 2.5E3 95.0231 6.6E3 96.8883 4.1E3 105.3279 2.1E3 107.9613 2.3E3 111.0181 6.6E3 113.0338 7.0E4 114.0177 3.8E4 131.0443 1.9E5 131.4328 2.2E3 142.5907 2.4E3 149.1181 2.3E3 155.2128 2.4E3 199.0093 3.3E3 199.0136 3.9E3 199.0364 2.3E5 199.0585 4.3E3 199.0636 3.0E3 END IONS BEGIN IONS FEATURE_ID=1031 PEPMASS=199.0359 SCANS=1031 RTINSECONDS=410.984 CHARGE=1- MSLEVEL=2 50.7754 2.2E3 57.2418 2.5E3 62.9628 4.8E5 70.0285 3.0E3 72.0071 4.0E3 76.1173 2.4E3 78.9575 5.9E3 80.9731 1.3E5 95.0234 7.2E3 96.8889 5.2E3 97.5428 2.2E3 111.0187 4.0E3 113.0339 7.3E4 114.0177 4.0E4 131.0444 1.7E5 199.0368 5.5E5 219.9784 2.8E3 END IONS BEGIN IONS FEATURE_ID=1032 PEPMASS=104.0321 SCANS=1032 RTINSECONDS=411.166 CHARGE=1- MSLEVEL=2 50.4592 3.3E3 51.5168 3.2E3 64.3905 3.0E3 64.6896 3.2E3 72.0076 1.0E5 74.0231 1.6E5 74.2533 3.3E3 96.8889 5.2E3 104.0245 6.5E3 104.0339 6.8E4 119.3481 3.3E3 123.5764 3.5E3 END IONS BEGIN IONS FEATURE_ID=1033 PEPMASS=85.0117 SCANS=1033 RTINSECONDS=411.859 CHARGE=1- MSLEVEL=2 52.6253 3.4E4 57.9920 4.2E5 68.0001 4.2E4 71.5175 3.0E4 85.0028 9.7E6 96.8912 3.8E4 104.4267 3.5E4 END IONS BEGIN IONS FEATURE_ID=1034 PEPMASS=85.0057 SCANS=1034 RTINSECONDS=412.052 CHARGE=1- MSLEVEL=2 57.9921 4.2E5 68.0000 3.3E4 73.8229 2.4E4 79.3775 2.2E4 85.0029 8.7E6 85.0135 5.3E4 96.8885 3.8E4 END IONS BEGIN IONS FEATURE_ID=1035 PEPMASS=103.0157 SCANS=1035 RTINSECONDS=412.201 CHARGE=1- MSLEVEL=2 54.6690 2.0E3 59.0124 1.0E5 68.9768 2.0E3 69.9167 2.1E3 71.3515 2.2E3 73.5107 2.0E3 76.0050 1.6E4 90.3422 1.8E3 96.8869 3.3E3 101.5428 2.0E3 103.0159 3.6E4 END IONS BEGIN IONS FEATURE_ID=1036 PEPMASS=84.9974 SCANS=1036 RTINSECONDS=412.505 CHARGE=1- MSLEVEL=2 56.7939 1.6E4 57.9920 2.7E5 65.3974 1.5E4 72.1391 1.6E4 85.0029 4.6E6 END IONS BEGIN IONS FEATURE_ID=1037 PEPMASS=85.0000 SCANS=1037 RTINSECONDS=412.797 CHARGE=1- MSLEVEL=2 51.5481 3.5E4 57.9921 4.4E5 68.0002 3.9E4 85.0028 8.4E6 85.0135 6.2E4 96.8866 3.2E4 END IONS BEGIN IONS FEATURE_ID=1038 PEPMASS=193.0051 SCANS=1038 RTINSECONDS=414.824 CHARGE=1- MSLEVEL=2 52.1013 2.6E3 55.6447 2.6E3 57.9920 4.2E3 63.6358 2.6E3 71.9695 3.3E3 76.3884 2.9E3 84.9891 5.9E3 84.9921 1.4E4 84.9943 1.2E4 85.0028 2.2E6 85.0113 1.2E4 85.0134 1.8E4 90.9319 4.2E3 96.8880 8.1E3 138.6272 3.1E3 151.4468 2.8E3 193.0862 1.3E4 END IONS BEGIN IONS FEATURE_ID=1039 PEPMASS=192.9976 SCANS=1039 RTINSECONDS=416.032 CHARGE=1- MSLEVEL=2 51.1953 3.0E3 57.9921 9.9E3 64.8861 3.5E3 68.1511 3.1E3 79.3014 3.2E3 83.5972 3.7E3 84.9922 1.4E4 84.9944 1.0E4 85.0029 2.1E6 85.0135 1.3E4 96.8874 3.1E3 133.7155 3.1E3 176.0760 2.9E3 193.0873 9.6E3 END IONS BEGIN IONS FEATURE_ID=1040 PEPMASS=211.0076 SCANS=1040 RTINSECONDS=416.349 CHARGE=1- MSLEVEL=2 55.3133 2.1E3 59.0124 1.3E4 70.8680 2.2E3 85.0027 2.3E5 85.0100 2.7E3 96.8890 3.0E3 103.0136 9.6E3 127.6590 2.1E3 143.9596 2.1E3 205.0571 2.2E3 END IONS BEGIN IONS FEATURE_ID=1041 PEPMASS=387.1133 SCANS=1041 RTINSECONDS=417.161 CHARGE=1- MSLEVEL=2 52.1912 2.2E3 53.6291 2.6E3 59.0122 1.7E4 60.2758 2.3E3 64.5856 2.4E3 71.0122 1.9E4 73.0279 1.4E4 76.3107 2.2E3 83.0123 2.9E3 85.1774 2.3E3 89.0225 1.8E4 96.8897 3.4E3 97.0278 1.1E4 101.0223 2.2E4 113.0229 9.6E3 119.0338 7.4E3 143.0344 2.8E3 153.6735 2.7E3 161.0440 3.0E4 170.1519 2.5E3 179.0540 1.6E4 216.3987 2.8E3 221.0660 1.3E4 293.6470 2.5E3 294.8755 2.9E3 315.7929 2.9E3 336.7549 2.7E3 341.1085 1.5E4 END IONS BEGIN IONS FEATURE_ID=1042 PEPMASS=356.1558 SCANS=1042 RTINSECONDS=417.752 CHARGE=1- MSLEVEL=2 51.5216 2.7E3 72.8806 2.9E3 81.7640 2.2E3 96.8895 1.5E4 113.0221 3.1E3 161.0442 2.7E3 201.5959 3.0E3 298.9921 2.3E3 305.6807 2.4E3 310.1502 3.1E4 315.2872 2.5E3 328.7332 2.5E3 331.9320 2.4E3 348.5531 2.7E3 356.1588 6.9E3 END IONS BEGIN IONS FEATURE_ID=1043 PEPMASS=104.0271 SCANS=1043 RTINSECONDS=418.276 CHARGE=1- MSLEVEL=2 58.3581 4.0E3 72.0075 3.1E4 74.0229 7.7E4 74.1981 5.0E3 93.0626 4.7E3 94.5041 4.4E3 96.8896 6.5E3 100.1850 5.0E3 101.0497 4.3E3 104.0240 1.4E4 104.0333 2.5E4 END IONS BEGIN IONS FEATURE_ID=1044 PEPMASS=84.9976 SCANS=1044 RTINSECONDS=418.514 CHARGE=1- MSLEVEL=2 57.9922 2.7E5 60.5518 1.9E4 68.0000 3.1E4 85.0028 5.4E6 85.0166 2.3E4 96.8871 2.5E4 100.9109 1.7E4 103.1173 1.8E4 END IONS BEGIN IONS FEATURE_ID=1045 PEPMASS=84.9959 SCANS=1045 RTINSECONDS=418.803 CHARGE=1- MSLEVEL=2 57.9921 5.1E5 70.8949 3.0E4 84.9920 7.1E4 85.0028 1.1E7 85.9079 2.8E4 88.2738 2.8E4 96.8892 5.4E4 END IONS BEGIN IONS FEATURE_ID=1046 PEPMASS=133.0126 SCANS=1046 RTINSECONDS=420.11 CHARGE=1- MSLEVEL=2 50.5668 3.0E3 51.5223 3.5E3 57.9387 2.9E3 59.0124 4.1E3 63.5375 3.8E3 71.0124 3.1E5 72.9914 5.7E4 87.0074 4.9E3 89.0229 3.2E4 108.2971 2.9E3 115.0021 4.7E5 132.8667 3.9E4 133.0127 1.0E5 END IONS BEGIN IONS FEATURE_ID=1047 PEPMASS=191.0180 SCANS=1047 RTINSECONDS=420.112 CHARGE=1- MSLEVEL=2 57.0333 1.3E4 67.0174 3.0E3 67.8209 2.1E3 69.1687 2.3E3 69.8358 2.8E3 85.0277 6.1E4 86.7679 2.5E3 87.0071 9.0E4 88.5782 2.1E3 101.0230 3.5E3 102.9474 1.2E4 107.5310 2.2E3 111.0071 2.4E5 117.5181 2.5E3 129.0177 1.5E4 129.2206 2.0E3 131.0535 2.5E3 146.9373 3.1E3 147.0282 5.3E3 170.9873 2.7E3 173.0085 3.8E3 191.0190 3.1E4 191.0361 4.4E3 191.0539 4.8E3 191.8770 2.3E3 END IONS BEGIN IONS FEATURE_ID=1048 PEPMASS=201.0877 SCANS=1048 RTINSECONDS=420.164 CHARGE=1- MSLEVEL=2 58.0282 5.4E3 66.0332 8.2E3 68.0491 1.2E4 70.0283 5.2E3 83.1708 2.8E3 84.0438 2.7E4 85.0023 3.7E3 88.0384 8.1E3 101.0704 2.8E5 101.0789 4.9E3 112.0750 5.1E3 121.0756 4.5E3 123.0185 5.5E3 128.0341 3.9E3 129.0650 2.6E5 130.0491 1.1E5 131.7135 3.2E3 133.0125 4.7E3 137.0706 1.0E4 139.0860 2.6E5 139.0992 5.3E3 139.1015 3.8E3 159.4491 3.1E3 174.0294 6.0E3 200.9981 3.5E3 201.0872 2.9E5 END IONS BEGIN IONS FEATURE_ID=1049 PEPMASS=201.0866 SCANS=1049 RTINSECONDS=420.212 CHARGE=1- MSLEVEL=2 52.7670 1.9E3 52.8320 2.3E3 68.0490 3.8E3 76.7953 2.4E3 84.0440 8.3E3 85.0028 6.2E3 88.0389 3.1E3 96.8851 2.5E3 96.8908 3.3E3 101.0702 8.7E4 104.0388 2.3E3 119.1847 1.9E3 121.0755 1.9E3 123.0184 7.7E3 127.7522 2.3E3 129.0652 7.2E4 130.0489 3.2E4 133.0128 5.0E3 137.0702 2.5E3 139.0862 6.8E4 147.9218 2.4E3 174.0301 5.2E3 189.2501 2.8E3 201.0870 6.9E4 END IONS BEGIN IONS FEATURE_ID=1050 PEPMASS=103.0130 SCANS=1050 RTINSECONDS=420.345 CHARGE=1- MSLEVEL=2 51.5712 2.2E3 59.0124 1.3E5 62.1271 1.8E3 69.2086 2.0E3 72.9229 3.2E3 76.0050 1.8E4 88.0055 2.6E3 89.3658 2.1E3 96.8896 1.3E4 103.0159 4.6E4 103.0271 2.8E3 104.3932 2.1E3 115.9203 2.3E3 END IONS BEGIN IONS FEATURE_ID=1051 PEPMASS=84.9947 SCANS=1051 RTINSECONDS=421.055 CHARGE=1- MSLEVEL=2 53.3420 3.2E4 57.5593 4.0E4 57.9921 4.6E5 80.3384 3.6E4 83.4492 3.2E4 83.9275 3.6E4 85.0029 9.4E6 85.0135 4.4E4 87.3777 4.1E4 96.8906 5.9E4 101.4456 3.3E4 104.4940 3.2E4 END IONS BEGIN IONS FEATURE_ID=1052 PEPMASS=84.9937 SCANS=1052 RTINSECONDS=421.261 CHARGE=1- MSLEVEL=2 51.5145 3.5E4 53.2913 2.9E4 57.9921 4.5E5 60.8312 3.4E4 69.1119 2.9E4 83.9955 3.0E4 85.0029 8.4E6 95.1911 3.6E4 96.8888 4.5E4 99.0538 3.0E4 102.8565 3.6E4 END IONS BEGIN IONS FEATURE_ID=1053 PEPMASS=85.0058 SCANS=1053 RTINSECONDS=421.796 CHARGE=1- MSLEVEL=2 56.6654 3.3E4 57.9921 5.4E5 85.0028 1.1E7 85.2401 3.3E4 88.6835 4.0E4 96.8890 3.6E4 END IONS BEGIN IONS FEATURE_ID=1054 PEPMASS=85.0082 SCANS=1054 RTINSECONDS=421.824 CHARGE=1- MSLEVEL=2 57.9920 4.6E5 67.9993 2.5E4 84.4901 2.8E4 85.0027 9.3E6 85.0135 6.6E4 94.5759 3.0E4 95.2919 2.9E4 96.8901 4.0E4 103.6597 2.8E4 END IONS BEGIN IONS FEATURE_ID=1055 PEPMASS=104.0272 SCANS=1055 RTINSECONDS=424.304 CHARGE=1- MSLEVEL=2 53.5510 3.1E3 73.3422 3.7E3 74.0230 4.3E3 89.5074 3.3E3 91.7533 3.5E3 96.8870 3.8E3 104.0240 7.4E3 109.6415 3.2E3 END IONS BEGIN IONS FEATURE_ID=1056 PEPMASS=104.0313 SCANS=1056 RTINSECONDS=425.155 CHARGE=1- MSLEVEL=2 50.0427 2.6E3 50.4535 2.6E3 50.9952 2.8E3 51.7713 2.8E3 51.8940 2.7E3 52.0930 2.5E3 52.4576 2.8E3 52.5007 3.0E3 53.6884 2.5E3 54.3399 2.7E3 55.0764 2.9E3 55.3371 2.4E3 55.7733 2.6E3 56.1491 3.5E3 57.2450 2.7E3 58.2895 3.2E3 58.4675 3.0E3 58.5316 2.6E3 58.7085 2.5E3 58.7186 3.0E3 59.3009 2.6E3 60.0165 2.5E3 60.2834 3.0E3 61.1970 2.9E3 61.4840 2.6E3 61.6252 3.1E3 62.6943 2.4E3 63.0401 2.8E3 63.3193 2.5E3 63.4947 3.1E3 64.0054 3.4E3 64.2656 2.8E3 64.4261 2.7E3 64.5285 2.1E3 65.0825 3.0E3 65.1651 2.6E3 65.8795 2.9E3 66.4318 2.3E3 66.5161 2.7E3 66.6865 2.9E3 66.7021 2.5E3 66.9448 2.7E3 69.3671 2.5E3 69.6526 3.3E3 69.7576 2.9E3 72.1962 3.1E3 74.2629 3.1E3 74.6757 3.3E3 75.7571 2.9E3 76.3288 2.9E3 77.1469 3.3E3 77.8116 2.9E3 78.3408 2.9E3 79.5376 3.1E3 79.5861 3.4E3 81.5967 2.6E3 81.6989 2.7E3 83.3188 3.1E3 85.5789 2.6E3 92.7099 3.0E3 93.9985 3.0E3 96.8864 2.9E3 98.3365 3.3E3 99.2029 3.2E3 100.1492 3.1E3 100.1785 2.9E3 100.3517 3.4E3 100.7199 3.2E3 103.4730 2.8E3 104.0244 6.4E3 105.7854 2.8E3 107.1155 2.7E3 107.4771 2.8E3 109.1618 2.5E3 110.1083 3.0E3 115.4777 2.8E3 116.1932 2.8E3 117.2279 2.8E3 118.8697 2.5E3 119.8947 2.9E3 121.0725 2.6E3 121.4816 2.7E3 122.4177 3.5E3 123.1663 3.0E3 END IONS BEGIN IONS FEATURE_ID=1057 PEPMASS=84.9997 SCANS=1057 RTINSECONDS=425.674 CHARGE=1- MSLEVEL=2 55.1910 3.1E4 57.9921 3.7E5 59.6902 2.8E4 63.1783 2.8E4 68.0002 4.9E4 85.0028 8.6E6 85.0132 3.7E4 94.3838 2.6E4 104.1525 2.6E4 END IONS BEGIN IONS FEATURE_ID=1058 PEPMASS=211.0077 SCANS=1058 RTINSECONDS=427.34 CHARGE=1- MSLEVEL=2 52.7911 2.2E3 59.0126 1.0E4 85.0027 3.0E5 96.8889 4.2E3 103.0134 1.1E4 143.6324 2.4E3 208.1892 2.4E3 END IONS BEGIN IONS FEATURE_ID=1059 PEPMASS=112.9841 SCANS=1059 RTINSECONDS=427.507 CHARGE=1- MSLEVEL=2 51.5192 3.6E3 53.5389 2.3E3 62.4285 2.0E3 63.9668 1.8E3 68.9942 4.2E4 70.0284 7.0E3 85.0024 6.1E3 85.9979 3.0E3 88.1429 2.1E3 95.0234 2.9E4 96.0074 2.6E4 97.0151 3.0E3 112.9977 1.5E4 113.0341 9.9E4 END IONS BEGIN IONS FEATURE_ID=1060 PEPMASS=192.9977 SCANS=1060 RTINSECONDS=427.88 CHARGE=1- MSLEVEL=2 53.5250 2.9E3 57.9920 9.8E3 60.4537 3.8E3 66.1138 3.8E3 71.9063 3.4E3 73.9872 5.0E3 84.1308 3.2E3 84.9922 1.7E4 84.9944 1.5E4 85.0029 2.7E6 85.0135 2.1E4 91.9259 3.2E3 96.8868 8.4E3 103.3306 3.5E3 184.7052 3.1E3 193.0859 9.9E3 END IONS BEGIN IONS FEATURE_ID=1061 PEPMASS=104.0294 SCANS=1061 RTINSECONDS=428.418 CHARGE=1- MSLEVEL=2 50.3558 3.1E3 59.9584 3.5E3 96.8882 5.1E3 98.1522 3.2E3 104.0237 7.7E3 109.7225 3.4E3 END IONS BEGIN IONS FEATURE_ID=1062 PEPMASS=104.0317 SCANS=1062 RTINSECONDS=428.682 CHARGE=1- MSLEVEL=2 60.4631 4.3E3 104.0234 8.4E3 END IONS BEGIN IONS FEATURE_ID=1063 PEPMASS=193.0050 SCANS=1063 RTINSECONDS=428.993 CHARGE=1- MSLEVEL=2 50.8153 3.7E3 54.9136 3.0E3 57.9921 5.8E3 64.5265 3.1E3 78.0355 3.0E3 84.9922 1.7E4 84.9946 1.4E4 85.0029 2.6E6 85.0135 1.5E4 89.0268 3.2E3 89.4938 3.0E3 96.8915 3.5E3 108.1852 3.1E3 116.3371 2.8E3 192.9983 3.9E3 193.0866 1.3E4 204.3307 3.4E3 END IONS BEGIN IONS FEATURE_ID=1064 PEPMASS=85.0000 SCANS=1064 RTINSECONDS=431.867 CHARGE=1- MSLEVEL=2 50.8590 3.3E4 51.5377 3.1E4 57.9919 4.6E5 67.9997 4.5E4 76.6441 2.7E4 81.6790 2.8E4 85.0027 8.5E6 96.8891 5.0E4 END IONS BEGIN IONS FEATURE_ID=1065 PEPMASS=269.0861 SCANS=1065 RTINSECONDS=432.202 CHARGE=1- MSLEVEL=2 51.5371 2.3E3 59.0123 5.1E4 59.0710 2.0E3 71.0122 3.2E4 71.6473 2.1E3 85.0282 4.6E3 88.6547 2.9E3 89.0226 5.6E4 96.8885 2.9E3 101.0227 3.3E4 101.7218 2.3E3 106.3287 2.6E3 109.7526 2.2E3 113.0224 1.2E4 119.0332 1.9E4 122.1681 2.2E3 125.7725 2.2E3 131.0332 8.4E3 139.1836 2.8E3 149.0443 8.6E3 179.0549 6.8E3 180.0490 2.8E3 289.6389 2.7E3 END IONS BEGIN IONS FEATURE_ID=1066 PEPMASS=335.0593 SCANS=1066 RTINSECONDS=433.738 CHARGE=1- MSLEVEL=2 57.0334 2.4E3 59.0126 8.3E3 70.4283 2.3E3 71.0124 1.5E4 72.3647 2.3E3 75.0075 9.4E3 85.0278 1.6E4 85.3025 2.4E3 87.0072 8.3E3 89.0234 4.6E3 95.0124 3.7E3 96.8904 3.3E3 99.0072 5.0E3 103.0021 3.1E3 113.0228 4.7E4 133.0123 2.9E3 207.0496 3.6E3 249.0607 4.3E3 258.4297 2.4E3 259.0893 2.5E3 267.0295 3.3E3 267.0717 2.2E5 289.0547 2.4E4 327.0394 2.7E3 333.2028 2.5E3 335.0602 3.0E4 END IONS BEGIN IONS FEATURE_ID=1067 PEPMASS=267.0717 SCANS=1067 RTINSECONDS=434.059 CHARGE=1- MSLEVEL=2 53.1607 2.4E3 57.0331 7.6E3 59.0123 5.5E4 71.0123 8.9E4 72.9915 5.6E3 75.0070 4.3E4 85.0278 1.1E5 85.0354 2.8E3 86.7296 2.4E3 87.0070 3.9E4 89.0227 3.0E4 91.0380 3.6E3 95.0120 2.1E4 96.8859 4.9E3 96.8922 5.2E3 99.0070 2.7E4 101.0229 4.7E3 103.0019 1.1E4 113.0228 2.3E5 113.0328 3.6E3 113.0339 2.9E3 115.0018 4.2E3 117.0172 9.7E3 123.3155 2.6E3 124.1298 2.5E3 129.0172 1.0E4 131.0329 4.1E3 133.8740 2.7E3 148.4605 2.3E3 149.0443 4.3E3 157.0115 4.5E3 159.5755 2.6E3 175.0229 1.2E4 205.0705 3.9E3 207.0512 1.3E4 249.0608 3.4E4 267.0714 5.9E5 267.1308 3.7E3 END IONS BEGIN IONS FEATURE_ID=1068 PEPMASS=133.0120 SCANS=1068 RTINSECONDS=434.064 CHARGE=1- MSLEVEL=2 71.0123 7.0E4 72.9914 1.5E4 75.2918 2.0E3 89.0223 1.0E4 96.8905 3.3E3 115.0021 1.2E5 122.8312 2.0E3 132.8661 4.3E4 133.0130 2.6E4 133.0406 2.3E3 END IONS BEGIN IONS FEATURE_ID=1069 PEPMASS=191.0188 SCANS=1069 RTINSECONDS=434.117 CHARGE=1- MSLEVEL=2 56.0460 2.5E3 57.0333 1.1E5 59.0123 6.3E3 67.0172 2.3E4 85.0279 7.3E5 86.9964 5.2E3 86.9985 5.2E3 87.0072 1.2E6 90.1218 3.5E3 96.8866 3.9E3 101.0227 1.3E4 102.9471 7.1E3 103.0386 8.4E3 110.9914 1.6E4 110.9948 2.1E4 111.0073 3.3E6 111.0235 2.2E4 114.6205 3.3E3 117.0176 4.2E3 121.4828 2.7E3 125.5876 2.7E3 129.0175 1.5E5 129.0537 3.6E3 130.9968 1.1E4 146.9376 3.5E3 147.0278 2.0E4 154.9967 2.5E4 163.8498 3.0E3 170.9863 3.0E3 173.0074 4.3E4 191.0187 3.7E5 191.0543 4.8E3 END IONS BEGIN IONS FEATURE_ID=1070 PEPMASS=192.0210 SCANS=1070 RTINSECONDS=434.122 CHARGE=1- MSLEVEL=2 55.0769 2.7E3 57.0330 4.0E3 58.0366 3.9E3 64.8553 2.5E3 73.4413 2.3E3 78.5721 2.2E3 81.4437 1.9E3 83.0135 2.0E3 84.8695 2.1E3 85.0280 1.7E4 86.0312 3.7E4 87.0070 4.3E4 88.0104 4.2E4 96.8868 2.9E3 103.9262 2.1E3 111.0072 4.5E4 112.0105 2.1E5 112.0978 2.2E3 114.2131 2.2E3 122.2802 2.7E3 129.0177 2.9E3 130.0213 8.6E3 155.9996 2.9E3 156.1115 2.5E3 174.0117 6.8E3 192.0210 2.8E4 END IONS BEGIN IONS FEATURE_ID=1071 PEPMASS=205.0343 SCANS=1071 RTINSECONDS=434.179 CHARGE=1- MSLEVEL=2 51.5135 2.3E3 52.9226 2.1E3 57.0331 2.9E3 71.0487 4.4E3 71.2242 2.2E3 81.0331 3.1E3 86.0541 2.0E3 89.5556 2.1E3 90.7664 2.4E3 92.0842 2.3E3 96.8912 2.9E3 99.0432 4.6E4 101.0227 4.5E4 115.0386 2.5E4 125.0225 1.5E5 143.0339 2.9E4 145.0126 8.8E4 187.0236 5.4E4 189.3795 2.2E3 205.0345 7.5E4 END IONS BEGIN IONS FEATURE_ID=1072 PEPMASS=175.0465 SCANS=1072 RTINSECONDS=434.181 CHARGE=1- MSLEVEL=2 51.8449 2.4E3 52.7115 2.4E3 70.1988 2.7E3 71.0237 4.5E3 71.8832 2.5E3 72.0076 1.9E5 72.0130 4.5E3 72.8781 2.2E3 87.0071 3.4E3 89.0227 9.4E3 89.0342 1.7E6 89.0383 3.7E4 89.0428 7.3E3 89.0457 1.4E4 92.4170 2.5E3 115.0133 8.2E4 118.0052 2.2E3 118.9646 5.1E3 124.9811 2.7E3 129.7000 3.1E3 132.0398 3.7E5 146.9593 2.2E4 156.9398 3.3E3 162.6408 2.5E3 163.1821 3.0E3 END IONS BEGIN IONS FEATURE_ID=1073 PEPMASS=443.1238 SCANS=1073 RTINSECONDS=434.217 CHARGE=1- MSLEVEL=2 59.0124 4.1E3 68.7974 2.5E3 71.0123 6.4E3 72.0076 9.6E3 74.0657 3.0E3 83.9796 2.7E3 85.0280 8.7E3 87.0069 4.8E3 87.2634 3.0E3 88.7484 2.6E3 89.0338 5.2E4 96.8899 4.1E3 97.7715 2.3E3 113.0225 2.1E4 115.0135 3.0E3 132.0398 6.9E4 175.0455 3.4E4 179.0640 2.6E3 267.0715 1.4E5 END IONS BEGIN IONS FEATURE_ID=1074 PEPMASS=133.0126 SCANS=1074 RTINSECONDS=434.22 CHARGE=1- MSLEVEL=2 62.3442 7.6E3 65.6141 7.4E3 71.0123 7.4E5 71.0177 1.0E4 72.9912 1.0E5 81.2254 7.0E3 87.0069 7.8E3 89.0226 7.8E4 96.8882 1.2E4 115.0020 1.1E6 132.8659 3.8E4 133.0125 2.3E5 END IONS BEGIN IONS FEATURE_ID=1075 PEPMASS=351.1013 SCANS=1075 RTINSECONDS=434.252 CHARGE=1- MSLEVEL=2 64.7675 2.5E3 68.5647 2.5E3 72.0074 2.5E4 89.0340 2.5E5 89.0406 5.1E3 89.0418 3.2E3 109.3310 2.7E3 115.0130 2.3E4 119.1837 2.6E3 132.0397 2.6E5 150.2544 2.6E3 158.0190 3.0E3 175.0458 1.5E5 300.5030 2.5E3 END IONS BEGIN IONS FEATURE_ID=1076 PEPMASS=267.0707 SCANS=1076 RTINSECONDS=434.253 CHARGE=1- MSLEVEL=2 50.3344 2.5E3 57.0331 4.4E3 59.0122 2.7E4 71.0122 4.5E4 72.9918 2.5E3 75.0070 2.1E4 85.0278 5.6E4 87.0070 2.0E4 87.0890 2.5E3 89.0225 1.8E4 91.0380 2.2E3 95.0119 1.2E4 96.8882 3.6E3 99.0066 1.3E4 101.0229 2.9E3 103.0017 7.1E3 106.7391 2.7E3 113.0227 9.6E4 115.0020 4.2E3 117.0174 7.4E3 129.0167 5.2E3 157.0107 2.6E3 207.0493 3.4E3 249.0607 1.1E4 267.0714 2.0E5 267.1128 3.3E3 END IONS BEGIN IONS FEATURE_ID=1077 PEPMASS=111.0068 SCANS=1077 RTINSECONDS=434.292 CHARGE=1- MSLEVEL=2 65.9968 3.9E3 66.3074 2.0E3 67.0173 1.2E4 67.5347 2.0E3 72.7605 4.4E3 79.9129 2.0E3 82.2832 1.9E3 91.0010 2.2E3 96.8900 1.4E4 111.0069 2.4E4 111.0181 2.2E3 END IONS BEGIN IONS FEATURE_ID=1078 PEPMASS=115.0015 SCANS=1078 RTINSECONDS=434.354 CHARGE=1- MSLEVEL=2 54.0350 2.0E3 62.6509 2.1E3 68.3737 2.4E3 71.0123 2.6E4 71.0487 2.7E3 72.0073 3.4E3 73.0396 3.0E3 74.1151 2.0E3 86.0368 2.1E3 88.0332 2.5E3 89.0130 2.4E3 91.1273 1.8E3 96.8884 3.2E3 104.1961 2.1E3 114.9326 2.3E3 115.0025 4.0E3 115.0292 4.4E3 END IONS BEGIN IONS FEATURE_ID=1079 PEPMASS=132.0395 SCANS=1079 RTINSECONDS=434.423 CHARGE=1- MSLEVEL=2 52.1151 2.2E3 66.1720 2.2E3 71.0122 2.4E3 71.9983 2.3E3 72.0075 1.3E5 89.0340 4.2E5 115.0022 4.9E3 115.0131 2.5E3 132.8655 1.0E4 146.9914 2.3E3 END IONS BEGIN IONS FEATURE_ID=1080 PEPMASS=89.0336 SCANS=1080 RTINSECONDS=434.465 CHARGE=1- MSLEVEL=2 62.0022 3.1E3 72.0017 2.3E3 72.0026 3.0E3 72.0075 2.1E5 73.0515 2.4E3 89.0127 4.8E4 89.0230 7.8E3 89.0339 4.2E4 94.8422 2.0E3 96.8857 6.3E3 96.8922 3.6E3 END IONS BEGIN IONS FEATURE_ID=1081 PEPMASS=175.0453 SCANS=1081 RTINSECONDS=434.492 CHARGE=1- MSLEVEL=2 59.0235 2.8E3 59.2113 2.1E3 61.2441 2.3E3 69.3225 2.4E3 69.5202 2.5E3 71.0237 4.1E3 72.0074 1.5E5 89.0228 8.3E3 89.0341 1.4E6 89.0457 9.1E3 90.8226 2.3E3 114.1562 2.3E3 115.0130 7.3E4 117.9627 2.3E3 118.9641 2.0E3 132.0397 3.2E5 146.9595 1.8E4 174.9542 2.6E3 175.3810 2.8E3 188.2282 2.7E3 END IONS BEGIN IONS FEATURE_ID=1082 PEPMASS=84.9976 SCANS=1082 RTINSECONDS=434.522 CHARGE=1- MSLEVEL=2 57.9921 2.1E5 62.2093 1.4E4 85.0029 4.2E6 96.8861 3.3E4 96.8919 3.7E4 END IONS BEGIN IONS FEATURE_ID=1083 PEPMASS=85.0117 SCANS=1083 RTINSECONDS=434.897 CHARGE=1- MSLEVEL=2 51.5342 2.9E4 57.9920 4.5E5 69.8049 2.8E4 84.4610 3.0E4 85.0027 9.1E6 88.9933 2.7E4 93.9345 2.7E4 96.8880 3.9E4 END IONS BEGIN IONS FEATURE_ID=1084 PEPMASS=84.9939 SCANS=1084 RTINSECONDS=435.331 CHARGE=1- MSLEVEL=2 53.3398 2.8E4 57.1498 2.4E4 57.9922 4.9E5 68.0000 4.8E4 85.0029 9.6E6 96.8868 4.0E4 END IONS BEGIN IONS FEATURE_ID=1085 PEPMASS=104.0271 SCANS=1085 RTINSECONDS=435.72 CHARGE=1- MSLEVEL=2 55.6257 5.1E3 56.6622 4.4E3 58.3264 5.3E3 60.0156 8.0E3 62.0725 5.4E3 62.3389 4.8E3 63.4453 4.8E3 63.8995 5.2E3 66.6324 4.4E3 74.0235 6.0E3 74.1526 4.6E3 75.5876 4.5E3 82.4654 4.9E3 96.8908 9.0E3 104.0240 7.9E3 116.0605 5.4E3 END IONS BEGIN IONS FEATURE_ID=1086 PEPMASS=104.0295 SCANS=1086 RTINSECONDS=438.638 CHARGE=1- MSLEVEL=2 59.4678 2.9E3 59.6222 3.0E3 62.5027 3.0E3 63.4964 3.3E3 67.5607 3.0E3 73.1012 3.4E3 74.4178 3.0E3 96.8892 6.8E3 99.9357 3.1E3 104.0234 5.1E3 END IONS BEGIN IONS FEATURE_ID=1087 PEPMASS=211.0077 SCANS=1087 RTINSECONDS=438.644 CHARGE=1- MSLEVEL=2 52.8748 2.2E3 59.0126 7.2E3 61.1397 1.9E3 61.6823 1.9E3 71.3131 2.5E3 79.3567 2.1E3 85.0028 2.0E5 95.8351 2.2E3 96.8917 2.4E3 103.0138 6.2E3 172.6291 2.3E3 END IONS BEGIN IONS FEATURE_ID=1088 PEPMASS=85.0058 SCANS=1088 RTINSECONDS=438.665 CHARGE=1- MSLEVEL=2 52.6886 2.7E4 55.6007 2.4E4 57.2006 3.1E4 57.9920 4.8E5 66.6420 2.9E4 85.0028 9.6E6 88.4276 2.5E4 96.8852 3.3E4 96.8913 3.5E4 100.1939 2.8E4 END IONS BEGIN IONS FEATURE_ID=1089 PEPMASS=192.9978 SCANS=1089 RTINSECONDS=439.06 CHARGE=1- MSLEVEL=2 50.6397 3.2E3 57.9918 4.9E3 84.9922 1.3E4 84.9945 1.4E4 85.0029 2.3E6 85.0134 1.3E4 96.8903 7.1E3 192.9955 3.0E3 193.0865 5.8E3 205.9060 3.1E3 END IONS BEGIN IONS FEATURE_ID=1090 PEPMASS=103.0130 SCANS=1090 RTINSECONDS=440.651 CHARGE=1- MSLEVEL=2 53.2797 2.1E3 53.9865 2.0E3 58.9761 2.1E3 59.0079 2.6E3 59.0125 1.6E5 70.6754 2.5E3 76.0049 1.4E4 78.5144 2.2E3 83.7462 2.0E3 85.0646 2.4E3 88.0051 2.4E3 96.8873 2.0E3 99.3945 2.2E3 103.0160 3.9E4 103.0279 3.3E3 103.0389 2.3E3 END IONS BEGIN IONS FEATURE_ID=1091 PEPMASS=193.0047 SCANS=1091 RTINSECONDS=440.852 CHARGE=1- MSLEVEL=2 51.5254 3.3E3 57.9921 6.9E3 61.0774 3.0E3 64.3578 3.0E3 75.1596 3.0E3 84.9891 4.3E3 84.9921 1.3E4 84.9942 8.6E3 85.0027 1.9E6 96.8917 2.9E3 129.6252 2.6E3 134.7213 2.8E3 150.9782 2.9E3 192.9954 4.2E3 193.0857 5.8E3 206.9755 2.6E3 END IONS BEGIN IONS FEATURE_ID=1092 PEPMASS=85.0117 SCANS=1092 RTINSECONDS=442.734 CHARGE=1- MSLEVEL=2 57.9921 5.4E5 60.1720 3.4E4 85.0029 1.1E7 END IONS BEGIN IONS FEATURE_ID=1093 PEPMASS=132.0278 SCANS=1093 RTINSECONDS=443.356 CHARGE=1- MSLEVEL=2 54.5217 2.1E3 60.4623 2.2E3 62.1168 2.0E3 62.8495 2.1E3 63.5614 2.4E3 71.0122 1.7E4 72.0076 2.5E3 83.4436 2.2E3 88.0388 1.2E5 92.3759 2.1E3 96.8909 2.9E3 100.6971 2.0E3 107.5901 2.1E3 114.0182 3.8E3 115.0018 3.2E4 124.2887 2.0E3 132.0287 2.9E4 132.8661 1.4E4 146.8613 2.4E3 END IONS BEGIN IONS FEATURE_ID=1094 PEPMASS=133.0125 SCANS=1094 RTINSECONDS=444.836 CHARGE=1- MSLEVEL=2 56.1771 2.0E3 56.6635 2.0E3 71.0123 9.0E4 72.9914 1.6E4 76.4543 2.1E3 88.0383 2.2E3 89.0226 1.1E4 89.0424 2.8E3 102.9502 2.0E3 115.0021 1.5E5 118.5066 2.2E3 132.8666 4.4E4 133.0127 3.8E4 END IONS BEGIN IONS FEATURE_ID=1095 PEPMASS=214.0480 SCANS=1095 RTINSECONDS=444.979 CHARGE=1- MSLEVEL=2 68.2366 2.1E3 78.9576 2.1E5 88.1587 2.1E3 90.3771 2.2E3 96.8895 3.9E3 96.9686 2.4E3 97.6153 2.5E3 140.0105 2.8E5 152.9945 7.1E4 171.0045 4.2E3 214.0480 2.4E5 219.5598 2.0E3 END IONS BEGIN IONS FEATURE_ID=1096 PEPMASS=85.0059 SCANS=1096 RTINSECONDS=445.152 CHARGE=1- MSLEVEL=2 57.9922 5.2E5 68.0003 8.0E4 85.0028 1.0E7 85.0134 5.9E4 86.2036 3.3E4 102.4756 3.1E4 END IONS BEGIN IONS FEATURE_ID=1097 PEPMASS=195.0497 SCANS=1097 RTINSECONDS=445.212 CHARGE=1- MSLEVEL=2 51.0341 1.9E3 55.3847 2.5E3 57.0332 5.6E3 59.0123 2.3E4 62.7564 2.1E3 71.0123 1.2E4 72.9916 3.4E3 75.0071 1.3E5 79.9880 2.1E3 83.2738 2.5E3 85.0029 6.5E3 85.0279 1.7E4 87.0070 2.0E4 89.0227 1.1E4 96.8876 6.4E3 99.0070 1.6E4 101.0234 3.8E3 111.0071 6.7E3 126.4439 2.4E3 129.0177 5.8E4 130.9915 5.1E3 141.0176 7.9E3 159.0282 2.7E4 177.0395 8.6E3 194.9042 2.8E3 195.0500 1.6E5 212.6842 2.1E3 END IONS BEGIN IONS FEATURE_ID=1098 PEPMASS=104.0272 SCANS=1098 RTINSECONDS=445.523 CHARGE=1- MSLEVEL=2 51.5385 4.7E3 55.1769 5.4E3 56.7616 5.0E3 60.6392 7.2E3 96.8868 5.2E3 96.8921 6.0E3 104.0236 1.4E4 104.7061 5.1E3 115.2459 5.9E3 END IONS BEGIN IONS FEATURE_ID=1099 PEPMASS=85.0000 SCANS=1099 RTINSECONDS=446.337 CHARGE=1- MSLEVEL=2 51.6891 2.4E4 57.9920 4.3E5 80.3379 2.2E4 80.4220 2.1E4 85.0028 8.2E6 85.0133 4.7E4 96.8905 3.1E4 104.5518 2.5E4 END IONS BEGIN IONS FEATURE_ID=1100 PEPMASS=337.0779 SCANS=1100 RTINSECONDS=448.138 CHARGE=1- MSLEVEL=2 52.2558 3.0E3 53.8852 2.4E3 68.9965 3.2E3 71.0122 4.8E3 73.0277 2.7E3 82.7988 2.3E3 83.0123 3.1E3 85.0279 1.6E4 87.0071 2.8E3 96.8901 2.9E3 99.0071 1.2E4 106.9517 2.1E3 111.0077 3.4E3 113.0226 1.9E4 113.9943 3.1E4 115.0021 1.9E4 127.0023 7.1E3 129.0175 7.5E3 151.2350 2.1E3 157.0134 1.2E4 169.0126 3.9E3 174.0155 4.9E4 227.8480 2.6E3 277.0563 6.4E4 337.0782 3.4E5 END IONS BEGIN IONS FEATURE_ID=1101 PEPMASS=104.0295 SCANS=1101 RTINSECONDS=448.443 CHARGE=1- MSLEVEL=2 52.5533 3.6E3 60.0156 4.5E3 71.0456 3.9E3 71.9807 6.2E3 77.5939 4.1E3 80.3386 3.8E3 96.8857 5.0E3 96.8910 8.7E3 104.0242 9.6E3 END IONS BEGIN IONS FEATURE_ID=1102 PEPMASS=245.0251 SCANS=1102 RTINSECONDS=449.613 CHARGE=1- MSLEVEL=2 59.1555 2.2E3 62.9580 1.4E5 78.9516 1.6E4 80.9623 6.2E3 80.9672 2.5E5 80.9713 2.6E3 80.9723 5.5E3 86.9382 2.8E3 96.8958 2.9E3 128.9852 2.6E3 145.6628 2.5E3 152.9836 2.7E3 180.9753 1.3E4 204.9747 1.2E4 206.2928 2.7E3 216.9758 2.9E3 224.9787 6.4E3 244.9674 4.0E3 244.9858 5.7E3 245.0250 2.1E5 246.0287 8.2E3 END IONS BEGIN IONS FEATURE_ID=1103 PEPMASS=192.9977 SCANS=1103 RTINSECONDS=450.054 CHARGE=1- MSLEVEL=2 57.9922 6.2E3 66.9698 2.6E3 73.3303 2.7E3 84.9921 1.4E4 84.9944 1.4E4 85.0028 2.2E6 85.0114 1.1E4 85.0134 1.7E4 90.9330 2.8E3 96.8869 6.2E3 96.8928 3.8E3 99.2729 3.1E3 113.0229 2.8E3 115.4569 2.7E3 131.0331 3.6E3 133.4487 2.8E3 176.3066 2.9E3 193.0875 8.2E3 END IONS BEGIN IONS FEATURE_ID=1104 PEPMASS=84.9981 SCANS=1104 RTINSECONDS=450.541 CHARGE=1- MSLEVEL=2 51.4477 1.4E4 51.5212 1.5E4 57.9920 2.4E5 65.7016 1.6E4 73.1273 2.7E4 75.3595 1.4E4 84.9920 3.3E4 85.0027 4.7E6 96.8863 5.9E4 96.8929 3.3E4 101.9447 1.4E4 END IONS BEGIN IONS FEATURE_ID=1105 PEPMASS=85.0117 SCANS=1105 RTINSECONDS=450.65 CHARGE=1- MSLEVEL=2 57.9920 5.3E5 63.2736 2.8E4 68.0001 6.9E4 84.9921 7.3E4 85.0028 1.0E7 88.4393 3.0E4 96.8918 3.3E4 END IONS BEGIN IONS FEATURE_ID=1106 PEPMASS=103.0130 SCANS=1106 RTINSECONDS=451.411 CHARGE=1- MSLEVEL=2 51.5357 2.6E3 51.7695 2.5E3 54.8092 1.8E3 59.0124 1.4E5 60.4830 2.3E3 71.9803 2.7E3 74.9117 2.3E3 76.0050 1.7E4 85.1219 2.0E3 91.8153 2.2E3 96.8882 2.8E3 103.0160 3.6E4 103.0284 1.9E3 103.7801 2.0E3 END IONS BEGIN IONS FEATURE_ID=1107 PEPMASS=85.0057 SCANS=1107 RTINSECONDS=453.451 CHARGE=1- MSLEVEL=2 57.9920 4.6E5 61.2290 2.8E4 70.2482 2.8E4 70.6698 2.8E4 72.6291 2.9E4 74.1879 4.1E4 84.9922 5.8E4 85.0028 9.2E6 96.8910 4.0E4 END IONS BEGIN IONS FEATURE_ID=1108 PEPMASS=193.0048 SCANS=1108 RTINSECONDS=453.59 CHARGE=1- MSLEVEL=2 51.5291 3.0E3 57.9919 5.5E3 71.4583 2.8E3 84.9891 4.7E3 84.9921 1.5E4 84.9942 8.4E3 85.0028 2.1E6 85.0134 1.3E4 90.9323 3.7E3 96.8882 6.2E3 102.8161 2.9E3 105.6229 3.3E3 157.2614 2.6E3 158.0176 2.5E3 192.9985 3.6E3 193.0863 8.4E3 END IONS BEGIN IONS FEATURE_ID=1109 PEPMASS=85.0000 SCANS=1109 RTINSECONDS=454.545 CHARGE=1- MSLEVEL=2 50.8403 2.5E4 57.9921 4.5E5 58.2671 2.4E4 65.4606 2.2E4 69.2886 2.8E4 85.0028 7.5E6 87.1030 2.3E4 96.8883 2.5E4 END IONS BEGIN IONS FEATURE_ID=1110 PEPMASS=211.0077 SCANS=1110 RTINSECONDS=456.994 CHARGE=1- MSLEVEL=2 59.0126 1.0E4 74.0084 2.5E3 85.0027 1.7E5 85.0104 2.6E3 96.8891 2.9E3 103.0132 7.1E3 163.5151 2.4E3 END IONS BEGIN IONS FEATURE_ID=1111 PEPMASS=192.9978 SCANS=1111 RTINSECONDS=459.081 CHARGE=1- MSLEVEL=2 57.9921 7.9E3 84.9891 5.0E3 84.9922 1.3E4 84.9944 1.2E4 85.0029 2.1E6 85.0114 1.3E4 85.0134 1.6E4 96.8862 3.2E3 114.0245 2.2E3 129.5161 2.2E3 168.2135 2.3E3 193.0863 8.2E3 END IONS BEGIN IONS FEATURE_ID=1112 PEPMASS=84.9997 SCANS=1112 RTINSECONDS=460.698 CHARGE=1- MSLEVEL=2 51.3254 2.8E4 57.9920 4.5E5 64.5998 2.8E4 64.8399 2.8E4 67.9998 4.1E4 81.9840 3.2E4 85.0028 8.7E6 85.0134 5.0E4 96.8908 4.3E4 END IONS BEGIN IONS FEATURE_ID=1113 PEPMASS=85.0119 SCANS=1113 RTINSECONDS=460.728 CHARGE=1- MSLEVEL=2 50.2378 3.0E4 57.9921 3.9E5 84.9921 7.0E4 85.0028 8.8E6 92.4103 2.6E4 99.2570 3.2E4 END IONS BEGIN IONS FEATURE_ID=1114 PEPMASS=104.0272 SCANS=1114 RTINSECONDS=463.269 CHARGE=1- MSLEVEL=2 60.0160 3.1E3 63.3364 3.3E3 64.0053 3.4E3 67.1022 3.8E3 79.8740 3.3E3 96.8890 6.9E3 104.0237 9.5E3 115.7446 3.5E3 END IONS BEGIN IONS FEATURE_ID=1115 PEPMASS=104.0295 SCANS=1115 RTINSECONDS=465.764 CHARGE=1- MSLEVEL=2 62.1430 4.4E3 71.9917 5.2E3 80.6510 4.0E3 96.8869 6.0E3 96.8921 4.1E3 97.2172 4.1E3 104.0241 9.2E3 END IONS BEGIN IONS FEATURE_ID=1116 PEPMASS=85.0000 SCANS=1116 RTINSECONDS=467.296 CHARGE=1- MSLEVEL=2 54.0475 2.6E4 57.3846 2.4E4 57.9920 4.4E5 63.7753 2.8E4 71.9644 2.9E4 85.0027 8.5E6 85.0134 6.4E4 87.1753 2.5E4 88.3061 2.7E4 96.8882 3.2E4 END IONS BEGIN IONS FEATURE_ID=1117 PEPMASS=195.0493 SCANS=1117 RTINSECONDS=467.345 CHARGE=1- MSLEVEL=2 55.0594 2.0E3 57.0332 5.0E3 59.0122 1.4E4 67.0701 2.7E3 71.0123 9.0E3 72.9910 2.4E3 75.0071 7.0E4 85.0024 3.4E3 85.0277 1.0E4 87.0069 1.3E4 89.0227 5.7E3 96.8858 2.3E3 99.0074 7.3E3 129.0174 3.7E4 130.9910 8.8E3 131.0803 2.1E3 136.3141 2.2E3 141.0170 4.4E3 144.3819 2.3E3 159.0284 1.4E4 177.0385 4.9E3 194.9049 4.6E3 195.0502 9.7E4 END IONS BEGIN IONS FEATURE_ID=1118 PEPMASS=104.0272 SCANS=1118 RTINSECONDS=467.347 CHARGE=1- MSLEVEL=2 53.5551 3.6E3 53.8139 3.1E3 65.1349 3.7E3 66.6428 3.6E3 77.7920 3.4E3 83.0135 3.6E3 96.8884 6.4E3 100.9436 3.1E3 103.0805 3.5E3 104.0236 7.6E3 END IONS BEGIN IONS FEATURE_ID=1119 PEPMASS=245.0430 SCANS=1119 RTINSECONDS=468.026 CHARGE=1- MSLEVEL=2 55.7776 3.9E3 62.9627 1.3E5 63.0826 4.1E3 64.1400 3.5E3 75.0193 3.6E3 75.1586 4.0E3 78.9575 3.3E5 80.9730 2.3E5 85.7779 4.1E3 96.8872 5.3E3 96.9677 2.3E4 150.9783 5.8E3 152.9944 8.1E5 171.0046 2.9E5 245.0424 1.2E6 END IONS BEGIN IONS FEATURE_ID=1120 PEPMASS=133.0124 SCANS=1120 RTINSECONDS=468.473 CHARGE=1- MSLEVEL=2 51.5368 2.3E3 52.1313 1.9E3 53.0140 1.9E3 59.1836 1.9E3 71.0123 4.8E4 72.9912 9.8E3 73.5316 2.8E3 78.6609 1.8E3 78.7548 2.1E3 89.0226 3.2E3 96.8915 3.8E3 98.2256 2.4E3 115.0020 6.8E4 129.6712 2.2E3 132.8663 9.6E4 133.0125 1.6E4 147.8857 2.0E3 END IONS BEGIN IONS FEATURE_ID=1121 PEPMASS=245.0419 SCANS=1121 RTINSECONDS=468.845 CHARGE=1- MSLEVEL=2 62.9629 1.7E4 78.9574 9.5E4 80.9731 3.4E4 96.9675 5.1E3 131.4519 2.6E3 147.8392 2.3E3 150.9788 2.8E3 152.9762 3.0E3 152.9944 2.4E5 153.0094 5.1E3 153.0124 3.5E3 171.0046 9.1E4 203.8705 2.5E3 245.0425 2.9E5 END IONS BEGIN IONS FEATURE_ID=1122 PEPMASS=192.9977 SCANS=1122 RTINSECONDS=468.862 CHARGE=1- MSLEVEL=2 53.4027 2.3E3 54.2107 2.4E3 54.8668 2.4E3 57.9921 5.2E3 66.3582 2.5E3 69.4983 2.8E3 77.7437 2.7E3 84.9921 1.6E4 84.9943 9.7E3 85.0028 2.1E6 85.0113 1.4E4 85.0134 1.4E4 96.8877 5.1E3 172.0341 2.6E3 175.8672 3.1E3 192.9966 2.6E3 193.0864 4.6E3 END IONS BEGIN IONS FEATURE_ID=1123 PEPMASS=102.0079 SCANS=1123 RTINSECONDS=468.903 CHARGE=1- MSLEVEL=2 50.4842 2.3E3 51.5147 2.4E3 64.0728 1.9E3 75.7411 2.0E3 87.6293 2.0E3 96.8908 2.2E3 102.0090 2.8E3 111.8484 2.3E3 116.9199 3.0E3 END IONS BEGIN IONS FEATURE_ID=1124 PEPMASS=84.9976 SCANS=1124 RTINSECONDS=469.377 CHARGE=1- MSLEVEL=2 53.2063 2.8E4 57.9920 4.6E5 68.0000 3.7E4 74.8470 2.8E4 75.2065 3.4E4 85.0028 9.8E6 85.8935 2.8E4 86.3228 3.1E4 96.8898 4.1E4 END IONS BEGIN IONS FEATURE_ID=1125 PEPMASS=85.0119 SCANS=1125 RTINSECONDS=470.848 CHARGE=1- MSLEVEL=2 57.9921 4.4E5 71.3348 2.9E4 79.5828 3.5E4 85.0028 8.4E6 96.8890 3.7E4 END IONS BEGIN IONS FEATURE_ID=1126 PEPMASS=84.9939 SCANS=1126 RTINSECONDS=470.91 CHARGE=1- MSLEVEL=2 51.1665 3.3E4 57.9920 5.4E5 63.8385 3.0E4 71.4711 3.5E4 85.0029 1.1E7 93.6792 2.9E4 94.2708 3.1E4 96.8880 4.3E4 END IONS BEGIN IONS FEATURE_ID=1127 PEPMASS=193.0049 SCANS=1127 RTINSECONDS=471.379 CHARGE=1- MSLEVEL=2 51.1516 2.5E3 52.4598 2.7E3 52.7033 3.2E3 57.9920 6.3E3 84.9921 1.3E4 84.9946 1.1E4 85.0029 2.1E6 85.0134 1.5E4 90.9324 4.0E3 96.8892 5.7E3 144.0108 3.5E3 180.3026 2.6E3 193.0874 6.1E3 END IONS BEGIN IONS FEATURE_ID=1128 PEPMASS=85.0059 SCANS=1128 RTINSECONDS=475.039 CHARGE=1- MSLEVEL=2 52.1422 3.4E4 57.9920 5.7E5 62.3874 2.6E4 68.0002 4.4E4 73.2359 2.7E4 85.0029 1.1E7 85.0135 5.7E4 85.9513 3.2E4 END IONS BEGIN IONS FEATURE_ID=1129 PEPMASS=192.9976 SCANS=1129 RTINSECONDS=475.423 CHARGE=1- MSLEVEL=2 57.8883 2.6E3 57.9920 8.3E3 62.0941 2.6E3 63.0773 2.8E3 84.9921 1.4E4 84.9944 1.0E4 85.0028 2.2E6 85.0134 1.6E4 90.9320 4.1E3 96.8893 6.7E3 192.9975 4.4E3 193.0856 7.2E3 END IONS BEGIN IONS FEATURE_ID=1130 PEPMASS=84.9999 SCANS=1130 RTINSECONDS=475.925 CHARGE=1- MSLEVEL=2 54.2644 3.0E4 57.9920 5.1E5 60.7820 3.1E4 63.8400 2.6E4 64.8319 2.5E4 65.6777 2.5E4 67.5023 2.9E4 71.6859 2.7E4 76.6545 2.7E4 85.0028 9.5E6 85.0134 5.3E4 87.0638 3.0E4 94.0681 2.7E4 96.8885 5.0E4 99.7615 3.3E4 END IONS BEGIN IONS FEATURE_ID=1131 PEPMASS=103.0130 SCANS=1131 RTINSECONDS=477.435 CHARGE=1- MSLEVEL=2 50.0724 2.1E3 55.2358 2.1E3 59.0080 3.1E3 59.0124 1.4E5 76.0052 1.4E4 78.7391 2.1E3 88.0048 2.0E3 96.8890 4.1E3 100.3329 2.0E3 103.0161 2.6E4 103.0287 3.2E3 END IONS BEGIN IONS FEATURE_ID=1132 PEPMASS=104.0294 SCANS=1132 RTINSECONDS=477.542 CHARGE=1- MSLEVEL=2 66.5698 4.1E3 91.7264 3.9E3 93.5384 3.6E3 96.8903 4.0E3 104.0238 1.3E4 END IONS BEGIN IONS FEATURE_ID=1133 PEPMASS=85.0117 SCANS=1133 RTINSECONDS=477.932 CHARGE=1- MSLEVEL=2 57.9922 3.8E5 68.0000 3.2E4 71.0995 2.1E4 72.2015 2.3E4 85.0028 8.0E6 85.0133 4.3E4 95.0938 2.2E4 96.8898 2.8E4 98.4325 2.2E4 101.5749 2.4E4 END IONS BEGIN IONS FEATURE_ID=1134 PEPMASS=211.0077 SCANS=1134 RTINSECONDS=479.932 CHARGE=1- MSLEVEL=2 50.6413 2.2E3 56.2352 2.3E3 59.0125 7.8E3 67.0363 2.5E3 77.6188 2.3E3 85.0028 1.7E5 85.0099 2.1E3 96.8893 3.0E3 103.0134 5.5E3 112.9971 2.1E3 139.8961 4.1E3 186.7499 2.3E3 221.8326 2.3E3 END IONS BEGIN IONS FEATURE_ID=1135 PEPMASS=192.9977 SCANS=1135 RTINSECONDS=480.037 CHARGE=1- MSLEVEL=2 57.9919 6.3E3 71.9815 3.7E3 84.9922 1.6E4 84.9943 1.2E4 85.0028 2.3E6 85.0113 1.4E4 85.0134 1.6E4 96.8885 7.1E3 193.0859 1.1E4 209.8744 2.8E3 END IONS BEGIN IONS FEATURE_ID=1136 PEPMASS=85.0000 SCANS=1136 RTINSECONDS=480.268 CHARGE=1- MSLEVEL=2 51.3589 2.4E4 51.5129 2.9E4 57.9919 3.1E5 67.2474 2.4E4 85.0028 6.9E6 96.8891 4.4E4 END IONS BEGIN IONS FEATURE_ID=1137 PEPMASS=134.8630 SCANS=1137 RTINSECONDS=483.625 CHARGE=1- MSLEVEL=2 51.4572 2.5E3 53.8050 2.0E3 69.3196 2.4E3 80.0592 2.0E3 96.8913 3.0E3 134.8639 3.0E5 END IONS BEGIN IONS FEATURE_ID=1138 PEPMASS=132.8653 SCANS=1138 RTINSECONDS=483.677 CHARGE=1- MSLEVEL=2 51.6011 2.1E3 57.1709 2.1E3 71.0121 2.7E4 72.9915 3.9E3 81.8094 2.2E3 89.0228 2.2E3 96.8887 2.7E3 103.3660 2.3E3 108.9793 2.0E3 115.0020 5.2E4 115.0143 2.2E3 123.7297 2.0E3 132.8661 2.6E5 133.0125 1.2E4 134.0569 2.2E3 138.5853 2.1E3 END IONS BEGIN IONS FEATURE_ID=1139 PEPMASS=104.0294 SCANS=1139 RTINSECONDS=485.855 CHARGE=1- MSLEVEL=2 53.0117 3.4E3 64.9761 4.3E3 76.4195 3.8E3 86.9734 3.7E3 96.8907 3.9E3 104.0241 5.3E3 END IONS BEGIN IONS FEATURE_ID=1140 PEPMASS=103.0130 SCANS=1140 RTINSECONDS=489.546 CHARGE=1- MSLEVEL=2 51.5161 2.4E3 54.9415 2.1E3 59.0124 1.0E5 68.4341 2.5E3 75.0484 2.1E3 76.0051 9.0E3 96.8910 3.9E3 103.0159 1.7E4 117.9165 2.2E3 END IONS BEGIN IONS FEATURE_ID=1141 PEPMASS=84.9974 SCANS=1141 RTINSECONDS=489.722 CHARGE=1- MSLEVEL=2 57.9921 2.3E5 59.2112 1.6E4 64.3171 1.3E4 85.0029 4.3E6 91.4521 1.5E4 96.8891 2.2E4 98.1244 1.7E4 END IONS BEGIN IONS FEATURE_ID=1142 PEPMASS=245.0251 SCANS=1142 RTINSECONDS=489.88 CHARGE=1- MSLEVEL=2 56.0032 2.2E3 62.9532 3.3E3 62.9580 2.1E5 65.0262 2.6E3 78.9517 4.0E4 80.9672 4.9E5 87.1080 2.4E3 89.5183 2.3E3 90.6731 2.2E3 96.8942 2.8E3 99.9168 3.2E3 100.1850 2.5E3 176.9829 3.3E3 180.9752 1.1E4 181.0574 5.7E3 204.9747 1.0E4 204.9927 2.8E3 224.9806 3.7E3 227.0150 4.5E3 245.0251 2.8E5 246.0292 1.2E4 END IONS BEGIN IONS FEATURE_ID=1143 PEPMASS=192.9978 SCANS=1143 RTINSECONDS=489.98 CHARGE=1- MSLEVEL=2 50.3380 3.4E3 51.5199 3.8E3 57.9921 6.7E3 60.4638 2.7E3 84.9921 1.5E4 84.9947 8.6E3 85.0029 2.2E6 85.0134 1.4E4 96.8881 5.7E3 122.2174 3.5E3 146.9221 2.9E3 185.2155 2.6E3 192.9961 3.9E3 193.0876 4.9E3 END IONS BEGIN IONS FEATURE_ID=1144 PEPMASS=104.0295 SCANS=1144 RTINSECONDS=490.973 CHARGE=1- MSLEVEL=2 50.3289 4.4E3 51.1171 3.8E3 51.5406 3.3E3 60.1913 3.7E3 83.2631 3.7E3 94.2708 4.3E3 96.8887 5.1E3 104.0244 7.7E3 121.8596 3.5E3 END IONS BEGIN IONS FEATURE_ID=1145 PEPMASS=84.9999 SCANS=1145 RTINSECONDS=491.673 CHARGE=1- MSLEVEL=2 56.3862 2.3E4 57.9920 3.6E5 58.8814 2.9E4 78.8082 2.8E4 81.8700 2.8E4 85.0027 8.0E6 96.8909 3.8E4 99.3602 3.3E4 END IONS BEGIN IONS FEATURE_ID=1146 PEPMASS=85.0118 SCANS=1146 RTINSECONDS=494.697 CHARGE=1- MSLEVEL=2 57.9921 5.5E5 63.7969 2.7E4 68.0002 5.5E4 79.0948 3.1E4 85.0028 1.0E7 96.8872 3.2E4 END IONS BEGIN IONS FEATURE_ID=1147 PEPMASS=84.9975 SCANS=1147 RTINSECONDS=497.25 CHARGE=1- MSLEVEL=2 57.9921 2.2E5 68.0004 2.1E4 81.9678 1.6E4 85.0028 4.1E6 END IONS BEGIN IONS FEATURE_ID=1148 PEPMASS=104.0295 SCANS=1148 RTINSECONDS=497.536 CHARGE=1- MSLEVEL=2 52.3263 4.1E3 54.5552 3.6E3 68.4783 4.0E3 77.1312 4.3E3 90.9928 4.0E3 96.8902 4.4E3 102.2823 4.6E3 104.0237 1.1E4 112.7509 4.3E3 END IONS BEGIN IONS FEATURE_ID=1149 PEPMASS=85.0058 SCANS=1149 RTINSECONDS=498.639 CHARGE=1- MSLEVEL=2 50.3632 2.0E4 56.5269 2.0E4 57.9922 3.5E5 62.2019 2.2E4 63.0137 2.1E4 68.0003 3.2E4 84.9924 3.7E4 85.0028 7.6E6 85.0135 4.4E4 96.2321 2.2E4 96.8908 2.7E4 END IONS BEGIN IONS FEATURE_ID=1150 PEPMASS=103.0130 SCANS=1150 RTINSECONDS=498.963 CHARGE=1- MSLEVEL=2 51.0200 2.1E3 52.6472 1.8E3 59.0125 1.7E5 68.7433 2.1E3 70.6294 2.0E3 70.8527 2.1E3 73.2970 2.0E3 76.0048 1.4E4 92.7215 2.1E3 96.8906 3.0E3 103.0162 2.8E4 103.0287 2.3E3 119.7180 2.4E3 END IONS BEGIN IONS FEATURE_ID=1151 PEPMASS=104.0272 SCANS=1151 RTINSECONDS=501.693 CHARGE=1- MSLEVEL=2 51.5350 3.2E3 51.8493 3.5E3 54.7731 3.4E3 57.0428 3.5E3 76.1933 3.2E3 79.9038 3.4E3 87.6803 3.2E3 96.8891 5.4E3 104.0240 1.4E4 107.9077 4.2E3 124.6241 4.1E3 END IONS BEGIN IONS FEATURE_ID=1152 PEPMASS=133.0123 SCANS=1152 RTINSECONDS=502.67 CHARGE=1- MSLEVEL=2 51.5238 2.3E3 56.9866 2.1E3 65.9568 2.5E3 71.0124 4.3E4 72.9917 4.8E3 89.0233 5.5E3 96.8898 2.3E3 114.6364 2.0E3 115.0020 6.9E4 117.1747 2.5E3 117.2191 2.3E3 118.6914 1.9E3 132.8663 4.8E4 133.0130 1.7E4 133.0397 3.2E3 152.5782 2.2E3 END IONS BEGIN IONS FEATURE_ID=1153 PEPMASS=195.0494 SCANS=1153 RTINSECONDS=502.884 CHARGE=1- MSLEVEL=2 55.1912 2.2E3 57.0333 2.9E3 59.0123 1.7E4 63.5528 2.2E3 70.1009 2.2E3 71.0123 1.1E4 72.9915 4.4E3 75.0071 9.7E4 85.0028 4.4E3 85.0279 9.1E3 86.7446 2.3E3 87.0073 1.5E4 89.0227 8.8E3 96.8909 4.1E3 99.0072 1.4E4 101.0220 2.3E3 111.0077 3.9E3 116.1324 2.3E3 117.0175 2.3E3 129.0174 4.7E4 130.9912 4.5E3 133.0811 2.5E3 139.7758 2.5E3 141.0175 4.3E3 159.0285 2.3E4 162.8111 2.1E3 177.0394 6.0E3 194.8667 2.3E3 195.0499 1.3E5 END IONS BEGIN IONS FEATURE_ID=1154 PEPMASS=85.0000 SCANS=1154 RTINSECONDS=503.921 CHARGE=1- MSLEVEL=2 57.9921 4.2E5 60.3990 2.1E4 83.9240 2.3E4 84.9891 2.9E4 85.0028 8.3E6 END IONS BEGIN IONS FEATURE_ID=1155 PEPMASS=104.0295 SCANS=1155 RTINSECONDS=507.806 CHARGE=1- MSLEVEL=2 60.0155 4.5E3 96.8879 6.7E3 97.2195 4.0E3 104.0241 8.3E3 106.3116 4.1E3 112.2667 3.9E3 121.7576 3.5E3 124.5874 3.7E3 END IONS BEGIN IONS FEATURE_ID=1156 PEPMASS=192.9977 SCANS=1156 RTINSECONDS=509.349 CHARGE=1- MSLEVEL=2 57.9920 5.6E3 65.4830 2.6E3 67.0616 2.1E3 78.6862 2.5E3 85.0028 1.3E6 85.0134 9.1E3 96.8920 2.4E3 110.3769 2.6E3 123.0406 2.6E3 129.3816 2.9E3 193.0864 7.4E3 END IONS BEGIN IONS FEATURE_ID=1157 PEPMASS=85.0000 SCANS=1157 RTINSECONDS=511.414 CHARGE=1- MSLEVEL=2 57.9920 2.0E5 68.0000 1.5E4 75.6878 1.2E4 85.0027 3.8E6 96.8880 3.3E4 END IONS BEGIN IONS FEATURE_ID=1158 PEPMASS=245.0419 SCANS=1158 RTINSECONDS=512.924 CHARGE=1- MSLEVEL=2 61.3187 2.3E3 61.9193 2.6E3 62.9628 1.3E5 73.8150 2.3E3 75.7815 2.2E3 78.9575 1.3E4 80.9731 3.3E5 96.8917 3.3E3 102.3902 2.8E3 227.0331 4.6E3 245.0426 1.7E5 END IONS BEGIN IONS FEATURE_ID=1159 PEPMASS=133.0121 SCANS=1159 RTINSECONDS=513.769 CHARGE=1- MSLEVEL=2 61.7757 1.9E3 61.8632 1.8E3 63.0955 2.0E3 63.9804 1.8E3 71.0124 4.6E4 72.9919 8.0E3 76.7959 2.1E3 89.0230 7.9E3 96.8870 2.9E3 115.0022 7.8E4 117.3864 2.0E3 132.8664 5.3E4 133.0127 1.9E4 END IONS BEGIN IONS FEATURE_ID=1160 PEPMASS=173.1017 SCANS=1160 RTINSECONDS=515.033 CHARGE=1- MSLEVEL=2 65.4455 2.0E3 67.4874 1.9E3 83.9553 2.0E3 96.8884 4.8E3 114.0541 3.7E3 131.0809 4.0E5 146.0346 2.6E3 154.9459 2.5E4 156.0767 1.3E4 161.1593 2.4E3 163.2807 2.2E3 172.9573 3.9E3 173.1028 3.3E4 183.5555 2.6E3 END IONS BEGIN IONS FEATURE_ID=1161 PEPMASS=84.9976 SCANS=1161 RTINSECONDS=515.717 CHARGE=1- MSLEVEL=2 57.9920 3.7E5 76.6165 2.6E4 85.0028 6.8E6 88.5046 2.7E4 96.8903 2.8E4 97.2411 2.3E4 END IONS BEGIN IONS FEATURE_ID=1162 PEPMASS=193.0050 SCANS=1162 RTINSECONDS=517.321 CHARGE=1- MSLEVEL=2 57.9920 7.8E3 59.8551 2.4E3 61.4807 2.3E3 63.4980 2.5E3 68.1067 2.5E3 78.0565 2.6E3 84.9921 1.4E4 84.9943 1.4E4 85.0028 2.0E6 85.0113 1.1E4 85.0134 1.6E4 86.7258 2.5E3 90.9320 4.1E3 94.8677 2.4E3 96.8883 7.4E3 107.5218 2.8E3 119.9874 2.4E3 147.6152 2.4E3 185.8103 2.5E3 193.0858 1.1E4 END IONS BEGIN IONS FEATURE_ID=1163 PEPMASS=85.0056 SCANS=1163 RTINSECONDS=517.831 CHARGE=1- MSLEVEL=2 57.9920 3.8E5 59.6282 2.2E4 60.9903 2.1E4 69.6623 2.0E4 77.6577 2.0E4 84.9921 4.8E4 85.0028 7.2E6 88.7900 2.2E4 88.8072 2.1E4 96.8904 4.1E4 99.7880 1.9E4 END IONS BEGIN IONS FEATURE_ID=1164 PEPMASS=85.0118 SCANS=1164 RTINSECONDS=518.272 CHARGE=1- MSLEVEL=2 57.9920 2.9E5 67.9998 2.1E4 78.1229 2.4E4 85.0027 6.4E6 86.5506 1.9E4 96.8861 2.2E4 96.8917 3.7E4 END IONS BEGIN IONS FEATURE_ID=1165 PEPMASS=103.0129 SCANS=1165 RTINSECONDS=518.272 CHARGE=1- MSLEVEL=2 57.4696 2.1E3 59.0124 1.2E5 76.0047 1.0E4 96.8907 2.9E3 103.0158 2.5E4 END IONS BEGIN IONS FEATURE_ID=1166 PEPMASS=192.9977 SCANS=1166 RTINSECONDS=519.324 CHARGE=1- MSLEVEL=2 55.4754 2.8E3 57.9921 4.6E3 66.5232 2.6E3 70.0500 2.1E3 71.9017 2.5E3 84.9921 1.1E4 84.9944 5.9E3 85.0028 1.6E6 85.0113 9.0E3 85.0134 1.0E4 85.0165 4.5E3 96.8891 4.1E3 115.0725 2.6E3 118.3170 2.5E3 128.9684 2.4E3 145.1192 2.5E3 165.2370 2.3E3 193.0866 1.1E4 END IONS BEGIN IONS FEATURE_ID=1167 PEPMASS=85.0000 SCANS=1167 RTINSECONDS=519.616 CHARGE=1- MSLEVEL=2 57.9920 4.3E5 63.9394 3.1E4 68.0001 3.6E4 84.8131 3.2E4 84.9921 7.3E4 85.0027 9.0E6 END IONS BEGIN IONS FEATURE_ID=1168 PEPMASS=211.0077 SCANS=1168 RTINSECONDS=519.897 CHARGE=1- MSLEVEL=2 59.0126 1.0E4 64.2687 2.3E3 65.5836 2.2E3 68.5048 2.3E3 85.0027 2.7E5 87.3000 2.0E3 96.8905 2.5E3 100.0876 2.2E3 103.0132 7.0E3 109.9109 2.2E3 139.8961 4.3E3 156.2488 2.1E3 END IONS BEGIN IONS FEATURE_ID=1169 PEPMASS=85.0001 SCANS=1169 RTINSECONDS=522.482 CHARGE=1- MSLEVEL=2 51.5314 2.3E4 55.1169 2.5E4 57.3203 2.1E4 57.9921 3.5E5 67.9999 3.0E4 75.2508 2.6E4 82.5255 2.6E4 85.0028 7.0E6 90.8985 2.3E4 103.8501 2.3E4 END IONS BEGIN IONS FEATURE_ID=1170 PEPMASS=84.9957 SCANS=1170 RTINSECONDS=524.803 CHARGE=1- MSLEVEL=2 57.9922 3.7E5 60.1716 2.2E4 65.0975 2.4E4 81.6996 2.3E4 85.0028 6.8E6 96.8907 6.1E4 98.6669 2.3E4 END IONS BEGIN IONS FEATURE_ID=1171 PEPMASS=133.0124 SCANS=1171 RTINSECONDS=527.027 CHARGE=1- MSLEVEL=2 59.0123 2.9E3 71.0124 1.6E5 71.0174 4.1E3 71.9779 2.2E3 72.9914 2.4E4 74.4343 2.0E3 85.4065 2.0E3 89.0226 1.7E4 96.8892 2.8E3 106.5414 2.3E3 115.0020 2.7E5 132.8662 6.5E4 133.0125 6.0E4 149.8647 2.1E3 END IONS BEGIN IONS FEATURE_ID=1172 PEPMASS=103.0130 SCANS=1172 RTINSECONDS=529.664 CHARGE=1- MSLEVEL=2 57.1174 2.1E3 59.0124 1.3E5 59.2844 1.9E3 60.4640 2.0E3 61.5699 2.0E3 63.2166 2.0E3 66.0856 2.0E3 76.0050 1.1E4 76.1617 2.0E3 77.7082 1.9E3 85.3309 2.0E3 95.0928 2.2E3 96.8851 2.4E3 96.8908 2.9E3 103.0161 2.9E4 109.3922 2.4E3 117.4710 1.9E3 END IONS BEGIN IONS FEATURE_ID=1173 PEPMASS=84.9999 SCANS=1173 RTINSECONDS=530.298 CHARGE=1- MSLEVEL=2 56.2176 2.3E4 57.9920 4.0E5 58.5947 2.3E4 67.9997 3.3E4 68.8742 2.4E4 85.0028 7.8E6 96.8864 2.8E4 98.8899 3.1E4 END IONS BEGIN IONS FEATURE_ID=1174 PEPMASS=193.0051 SCANS=1174 RTINSECONDS=532.014 CHARGE=1- MSLEVEL=2 54.4138 2.8E3 57.9923 4.4E3 64.9062 2.9E3 68.4454 3.0E3 84.9921 1.4E4 84.9945 1.1E4 85.0028 2.2E6 85.0134 1.5E4 96.8907 5.0E3 129.2187 3.0E3 181.2818 3.3E3 192.9969 3.6E3 193.0853 5.2E3 END IONS BEGIN IONS FEATURE_ID=1175 PEPMASS=84.9977 SCANS=1175 RTINSECONDS=536.521 CHARGE=1- MSLEVEL=2 57.9921 2.7E5 58.7512 1.8E4 59.8491 2.0E4 68.0001 2.1E4 75.8734 2.0E4 85.0028 6.2E6 96.8883 3.4E4 98.2382 1.9E4 101.6446 1.9E4 END IONS BEGIN IONS FEATURE_ID=1176 PEPMASS=84.9956 SCANS=1176 RTINSECONDS=537.474 CHARGE=1- MSLEVEL=2 57.9922 3.6E5 63.6942 2.0E4 67.9999 2.9E4 85.0029 7.3E6 96.8889 3.3E4 END IONS BEGIN IONS FEATURE_ID=1177 PEPMASS=133.0129 SCANS=1177 RTINSECONDS=537.474 CHARGE=1- MSLEVEL=2 55.0067 2.0E3 59.5071 2.2E3 60.9569 2.2E3 64.0553 2.1E3 71.0124 1.3E5 72.9914 2.4E4 76.3823 2.2E3 82.1801 2.1E3 87.0071 3.0E3 87.6901 2.1E3 89.0229 1.3E4 96.8895 3.6E3 100.8004 2.4E3 106.3769 2.1E3 107.3722 2.2E3 115.0022 2.2E5 118.4711 2.1E3 132.8663 6.5E4 133.0129 4.6E4 148.9784 2.3E3 END IONS BEGIN IONS FEATURE_ID=1178 PEPMASS=85.0000 SCANS=1178 RTINSECONDS=538.419 CHARGE=1- MSLEVEL=2 54.1160 2.4E4 57.9920 3.8E5 57.9952 3.7E4 65.3603 2.5E4 67.6942 2.4E4 72.7874 2.4E4 76.2380 2.0E4 84.9920 6.9E4 85.0028 8.1E6 85.6796 2.4E4 87.3848 2.3E4 96.8871 3.0E4 END IONS BEGIN IONS FEATURE_ID=1179 PEPMASS=85.0057 SCANS=1179 RTINSECONDS=539.326 CHARGE=1- MSLEVEL=2 53.7445 3.3E4 55.6428 2.7E4 57.9920 5.0E5 67.6095 2.8E4 68.0001 3.9E4 73.5495 3.5E4 79.4063 2.7E4 85.0028 9.5E6 93.3761 3.5E4 94.9077 2.9E4 96.8876 3.8E4 END IONS BEGIN IONS FEATURE_ID=1180 PEPMASS=193.0049 SCANS=1180 RTINSECONDS=539.696 CHARGE=1- MSLEVEL=2 57.9918 5.3E3 61.5179 2.4E3 67.8655 2.1E3 84.9890 4.6E3 84.9921 1.1E4 84.9947 7.0E3 85.0029 1.8E6 85.0136 1.2E4 96.8881 3.0E3 102.5081 2.3E3 110.0607 2.3E3 131.8582 3.0E3 144.8846 2.6E3 163.9194 2.1E3 192.9965 2.4E3 193.0867 9.2E3 END IONS BEGIN IONS FEATURE_ID=1181 PEPMASS=84.9978 SCANS=1181 RTINSECONDS=539.711 CHARGE=1- MSLEVEL=2 57.9919 3.3E5 60.4800 2.0E4 64.6548 2.2E4 65.1709 2.1E4 67.9579 2.1E4 79.5004 2.1E4 84.9922 3.6E4 85.0028 6.2E6 93.6225 2.1E4 96.8883 3.5E4 END IONS BEGIN IONS FEATURE_ID=1182 PEPMASS=103.0131 SCANS=1182 RTINSECONDS=542.223 CHARGE=1- MSLEVEL=2 59.0124 1.6E5 76.0053 1.2E4 77.5921 2.8E3 85.1506 2.1E3 96.8894 3.6E3 103.0159 2.7E4 103.0287 3.7E3 110.4339 1.8E3 111.4570 2.0E3 117.2189 2.3E3 END IONS BEGIN IONS FEATURE_ID=1183 PEPMASS=84.9955 SCANS=1183 RTINSECONDS=543.222 CHARGE=1- MSLEVEL=2 57.9921 3.4E5 59.5614 2.8E4 61.9312 3.1E4 71.9501 2.7E4 85.0028 7.0E6 85.0134 4.6E4 96.8909 3.1E4 97.4771 2.3E4 103.1228 2.6E4 END IONS BEGIN IONS FEATURE_ID=1184 PEPMASS=192.9978 SCANS=1184 RTINSECONDS=544.555 CHARGE=1- MSLEVEL=2 57.9922 4.6E3 78.8151 2.7E3 83.6662 2.3E3 84.9921 8.9E3 85.0029 1.2E6 85.0135 7.2E3 87.0890 2.4E3 87.5378 2.2E3 88.0917 2.3E3 90.9322 3.2E3 96.8894 5.8E3 126.3684 2.3E3 167.0915 2.3E3 177.0975 2.3E3 192.9959 2.4E3 193.0863 8.0E3 199.4471 2.2E3 END IONS BEGIN IONS FEATURE_ID=1185 PEPMASS=193.0050 SCANS=1185 RTINSECONDS=545.75 CHARGE=1- MSLEVEL=2 54.0028 2.5E3 57.9919 5.8E3 68.6149 2.3E3 69.8811 2.4E3 76.6753 2.5E3 84.9921 1.3E4 84.9944 8.2E3 85.0028 1.9E6 85.0134 1.3E4 85.0195 3.8E3 92.4712 2.6E3 96.2090 3.0E3 96.5620 2.6E3 98.0480 2.4E3 155.0588 2.5E3 193.0850 7.0E3 END IONS BEGIN IONS FEATURE_ID=1186 PEPMASS=104.0295 SCANS=1186 RTINSECONDS=546.035 CHARGE=1- MSLEVEL=2 51.4948 3.6E3 53.6670 3.6E3 54.9136 3.2E3 55.8895 3.0E3 56.0269 3.1E3 56.1849 3.5E3 60.0158 4.5E3 64.0056 3.2E3 66.0289 3.1E3 75.7672 3.7E3 77.8271 3.9E3 78.5310 4.4E3 104.0238 5.2E3 115.4259 3.6E3 END IONS BEGIN IONS FEATURE_ID=1187 PEPMASS=211.0079 SCANS=1187 RTINSECONDS=548.432 CHARGE=1- MSLEVEL=2 59.0125 7.8E3 63.5831 2.3E3 85.0027 2.1E5 85.0100 2.9E3 85.8719 2.1E3 87.0975 2.1E3 95.0967 2.2E3 96.8909 2.3E3 103.0134 6.5E3 139.8950 2.6E3 158.6264 2.2E3 178.7452 2.4E3 END IONS BEGIN IONS FEATURE_ID=1188 PEPMASS=85.0059 SCANS=1188 RTINSECONDS=548.708 CHARGE=1- MSLEVEL=2 51.5318 2.6E4 54.4657 2.4E4 57.9921 4.5E5 68.0001 3.0E4 73.0176 2.1E4 82.7302 2.1E4 85.0028 8.5E6 85.0166 2.6E4 96.8883 2.7E4 END IONS BEGIN IONS FEATURE_ID=1189 PEPMASS=103.0130 SCANS=1189 RTINSECONDS=548.708 CHARGE=1- MSLEVEL=2 59.0124 1.4E5 67.3344 2.0E3 76.0049 1.0E4 87.7667 2.1E3 103.0162 2.3E4 111.1328 2.0E3 115.6064 2.3E3 END IONS BEGIN IONS FEATURE_ID=1190 PEPMASS=85.0000 SCANS=1190 RTINSECONDS=549.46 CHARGE=1- MSLEVEL=2 57.9920 1.9E5 66.0844 9.7E3 66.1069 9.5E3 66.1104 1.1E4 66.7563 9.3E3 68.0002 9.7E3 71.9560 1.3E4 85.0028 3.5E6 96.8874 1.3E4 100.7084 1.0E4 END IONS BEGIN IONS FEATURE_ID=1191 PEPMASS=84.9962 SCANS=1191 RTINSECONDS=551.099 CHARGE=1- MSLEVEL=2 57.9920 3.3E5 81.6506 2.2E4 83.9606 2.1E4 84.9922 4.6E4 85.0028 7.1E6 91.7259 2.5E4 96.8859 2.2E4 101.7570 2.7E4 END IONS BEGIN IONS FEATURE_ID=1192 PEPMASS=192.9977 SCANS=1192 RTINSECONDS=551.174 CHARGE=1- MSLEVEL=2 50.3711 2.6E3 50.6364 2.3E3 57.9920 7.4E3 66.0416 2.5E3 66.9295 2.6E3 84.9859 4.3E3 85.0028 2.1E6 85.0114 1.0E4 85.0135 1.6E4 86.0806 2.4E3 96.8912 5.0E3 119.2455 2.5E3 132.9296 2.9E3 154.2944 2.9E3 192.9980 4.1E3 193.0871 6.1E3 212.1298 2.5E3 END IONS BEGIN IONS FEATURE_ID=1193 PEPMASS=84.9978 SCANS=1193 RTINSECONDS=552.578 CHARGE=1- MSLEVEL=2 52.9732 2.0E4 57.9920 3.1E5 64.1287 1.9E4 68.0003 2.2E4 85.0028 6.0E6 86.4300 1.9E4 END IONS BEGIN IONS FEATURE_ID=1194 PEPMASS=104.0294 SCANS=1194 RTINSECONDS=553.35 CHARGE=1- MSLEVEL=2 60.0158 4.4E3 84.0397 3.9E3 104.0242 8.5E3 END IONS BEGIN IONS FEATURE_ID=1195 PEPMASS=193.0047 SCANS=1195 RTINSECONDS=555.49 CHARGE=1- MSLEVEL=2 51.5063 3.6E3 57.9921 8.6E3 66.4450 2.4E3 84.9921 1.5E4 84.9947 6.8E3 85.0028 2.1E6 85.0134 1.3E4 96.8906 4.0E3 190.6579 2.7E3 193.0869 7.7E3 205.3748 2.6E3 END IONS BEGIN IONS FEATURE_ID=1196 PEPMASS=84.9997 SCANS=1196 RTINSECONDS=555.954 CHARGE=1- MSLEVEL=2 51.5419 3.5E4 56.3477 2.2E4 56.5294 2.7E4 57.9920 4.2E5 60.3775 2.4E4 67.9996 3.9E4 85.0027 8.3E6 85.0134 6.5E4 100.7826 2.5E4 END IONS BEGIN IONS FEATURE_ID=1197 PEPMASS=85.0058 SCANS=1197 RTINSECONDS=557.822 CHARGE=1- MSLEVEL=2 57.9920 5.1E5 58.6616 2.5E4 85.0028 8.7E6 85.0135 4.4E4 90.3919 2.7E4 96.8892 4.7E4 102.3194 2.6E4 END IONS BEGIN IONS FEATURE_ID=1198 PEPMASS=104.0295 SCANS=1198 RTINSECONDS=558.727 CHARGE=1- MSLEVEL=2 51.8267 3.8E3 53.5404 4.2E3 64.0054 4.0E3 67.3863 3.9E3 69.5108 4.3E3 72.0337 4.4E3 84.5243 3.3E3 88.0408 3.9E3 96.8910 4.7E3 98.8689 4.3E3 104.0239 9.5E3 END IONS BEGIN IONS FEATURE_ID=1199 PEPMASS=192.9977 SCANS=1199 RTINSECONDS=560.022 CHARGE=1- MSLEVEL=2 53.4751 2.6E3 54.7518 2.2E3 57.4310 2.4E3 57.9922 4.9E3 75.5671 2.6E3 84.9922 1.0E4 84.9947 7.1E3 85.0029 1.7E6 85.0135 1.0E4 85.0164 3.5E3 96.8915 2.7E3 98.7598 2.3E3 161.4722 2.4E3 193.0365 2.8E3 193.0866 8.5E3 203.4754 3.1E3 END IONS BEGIN IONS FEATURE_ID=1200 PEPMASS=84.9977 SCANS=1200 RTINSECONDS=561.658 CHARGE=1- MSLEVEL=2 57.9921 3.2E5 67.9999 3.1E4 71.9746 2.0E4 77.2195 1.7E4 85.0028 6.2E6 96.8905 2.2E4 97.3222 2.1E4 END IONS BEGIN IONS FEATURE_ID=1201 PEPMASS=193.0049 SCANS=1201 RTINSECONDS=562.465 CHARGE=1- MSLEVEL=2 53.3322 4.4E3 57.4299 2.8E3 57.9920 5.2E3 62.1258 3.2E3 64.3969 2.9E3 65.9478 3.4E3 71.9454 3.3E3 83.6033 3.1E3 84.9922 1.6E4 84.9946 8.6E3 85.0028 2.3E6 85.0134 1.3E4 90.9322 5.0E3 184.3460 4.0E3 186.2818 3.4E3 193.0867 7.9E3 END IONS BEGIN IONS FEATURE_ID=1202 PEPMASS=85.0000 SCANS=1202 RTINSECONDS=563.176 CHARGE=1- MSLEVEL=2 50.2157 2.0E4 51.9767 2.1E4 57.9920 3.2E5 84.9921 6.6E4 85.0028 7.8E6 87.2309 2.3E4 96.8910 3.4E4 END IONS BEGIN IONS FEATURE_ID=1203 PEPMASS=192.9977 SCANS=1203 RTINSECONDS=565.715 CHARGE=1- MSLEVEL=2 57.9921 6.7E3 84.9921 1.2E4 85.0029 2.0E6 96.8862 3.6E3 96.8921 3.7E3 100.9224 2.5E3 109.0745 2.9E3 120.2242 2.9E3 129.8353 2.5E3 193.0860 1.1E4 END IONS BEGIN IONS FEATURE_ID=1204 PEPMASS=211.0077 SCANS=1204 RTINSECONDS=569.15 CHARGE=1- MSLEVEL=2 59.0126 7.1E3 78.2024 2.5E3 85.0027 2.5E5 94.9578 2.2E3 96.8863 2.2E3 103.0137 9.3E3 116.9199 2.3E3 139.8960 4.3E3 145.4985 2.2E3 END IONS BEGIN IONS FEATURE_ID=1205 PEPMASS=169.9799 SCANS=1205 RTINSECONDS=569.271 CHARGE=1- MSLEVEL=2 60.2908 2.1E3 60.4821 2.7E3 61.9870 1.0E4 62.6696 2.1E3 67.3871 1.7E3 69.7606 2.2E3 69.8876 2.4E3 85.0028 4.3E5 87.0943 2.3E3 96.8873 2.8E3 108.2377 2.1E3 129.7342 2.2E3 146.1766 2.4E3 168.2671 2.0E3 END IONS BEGIN IONS FEATURE_ID=1206 PEPMASS=85.0000 SCANS=1206 RTINSECONDS=569.671 CHARGE=1- MSLEVEL=2 57.9920 3.9E5 62.4722 2.3E4 64.6445 2.5E4 72.2760 2.4E4 74.2029 2.4E4 85.0028 7.4E6 96.8882 4.3E4 END IONS BEGIN IONS FEATURE_ID=1207 PEPMASS=193.0052 SCANS=1207 RTINSECONDS=570.833 CHARGE=1- MSLEVEL=2 51.5289 3.4E3 57.9920 7.8E3 60.4757 3.1E3 68.6790 2.8E3 75.8913 2.6E3 84.9920 1.4E4 85.0028 2.0E6 85.0134 1.4E4 90.9318 2.9E3 96.8890 7.2E3 98.6945 3.2E3 193.0855 8.6E3 END IONS BEGIN IONS FEATURE_ID=1208 PEPMASS=84.9982 SCANS=1208 RTINSECONDS=570.916 CHARGE=1- MSLEVEL=2 51.5341 2.4E4 57.9920 3.9E5 68.0000 2.9E4 84.9922 4.3E4 85.0027 7.4E6 96.8894 2.9E4 100.2635 2.1E4 END IONS BEGIN IONS FEATURE_ID=1209 PEPMASS=192.9977 SCANS=1209 RTINSECONDS=572.869 CHARGE=1- MSLEVEL=2 57.9921 7.9E3 58.4334 3.3E3 58.9542 3.1E3 84.9921 1.7E4 84.9943 9.7E3 85.0028 2.4E6 96.8893 7.6E3 114.0049 3.0E3 150.2766 3.3E3 156.4344 3.7E3 193.0861 9.2E3 END IONS BEGIN IONS FEATURE_ID=1210 PEPMASS=96.9609 SCANS=1210 RTINSECONDS=574.827 CHARGE=1- MSLEVEL=2 51.5446 2.3E3 57.2770 2.0E3 62.6371 2.2E3 78.9517 9.4E4 79.9500 5.1E4 82.7244 2.1E3 96.8914 2.4E3 96.9386 7.7E3 96.9414 5.2E3 96.9515 1.2E6 96.9591 6.5E3 96.9616 1.6E4 96.9647 6.0E3 96.9679 3.5E3 97.0211 7.0E3 97.9228 4.1E3 97.9509 5.6E3 100.5250 2.7E3 END IONS BEGIN IONS FEATURE_ID=1211 PEPMASS=133.0122 SCANS=1211 RTINSECONDS=576.962 CHARGE=1- MSLEVEL=2 51.7708 2.1E3 51.9784 2.3E3 53.7444 1.9E3 62.4526 2.1E3 63.2004 2.3E3 71.0123 7.1E4 71.5356 2.3E3 72.9916 1.3E4 89.0227 1.0E4 94.5785 2.1E3 96.8887 2.8E3 115.0021 1.2E5 131.9769 2.3E3 132.8663 4.5E4 133.0129 2.7E4 145.6130 2.2E3 END IONS BEGIN IONS FEATURE_ID=1212 PEPMASS=85.0000 SCANS=1212 RTINSECONDS=577.411 CHARGE=1- MSLEVEL=2 54.2554 2.3E4 57.9921 3.9E5 60.0672 2.1E4 67.9998 2.1E4 68.8983 2.5E4 85.0028 7.0E6 96.8867 2.5E4 END IONS BEGIN IONS FEATURE_ID=1213 PEPMASS=193.0052 SCANS=1213 RTINSECONDS=579.516 CHARGE=1- MSLEVEL=2 57.9920 6.9E3 64.7438 3.1E3 84.9922 1.4E4 84.9946 1.3E4 85.0029 2.4E6 85.0136 1.6E4 85.0165 5.6E3 96.8893 9.9E3 99.8955 3.5E3 193.0871 1.2E4 208.6917 3.3E3 END IONS BEGIN IONS FEATURE_ID=1214 PEPMASS=104.0294 SCANS=1214 RTINSECONDS=580.373 CHARGE=1- MSLEVEL=2 54.2223 3.2E3 73.2102 3.5E3 88.1310 3.2E3 96.8905 4.8E3 104.0240 5.5E3 END IONS BEGIN IONS FEATURE_ID=1215 PEPMASS=104.0294 SCANS=1215 RTINSECONDS=582.055 CHARGE=1- MSLEVEL=2 93.7773 3.3E3 104.0238 6.3E3 108.3047 3.3E3 END IONS BEGIN IONS FEATURE_ID=1216 PEPMASS=169.9798 SCANS=1216 RTINSECONDS=583.254 CHARGE=1- MSLEVEL=2 51.5233 2.4E3 59.9532 2.2E3 61.9867 1.1E4 65.0129 2.4E3 84.9920 3.1E3 85.0027 4.7E5 96.8881 3.7E3 97.7085 2.2E3 137.5480 2.0E3 139.9399 2.1E3 150.6092 2.1E3 END IONS BEGIN IONS FEATURE_ID=1217 PEPMASS=192.9978 SCANS=1217 RTINSECONDS=583.523 CHARGE=1- MSLEVEL=2 50.0523 2.5E3 55.6618 2.6E3 57.9921 9.6E3 58.0695 2.9E3 76.6301 3.0E3 85.0029 2.1E6 85.0134 1.4E4 90.6856 2.5E3 96.8858 3.4E3 96.8912 3.2E3 101.4343 3.0E3 108.4290 3.2E3 111.0066 3.0E3 115.2192 2.9E3 174.0505 2.9E3 184.7992 2.8E3 193.0865 1.1E4 END IONS BEGIN IONS FEATURE_ID=1218 PEPMASS=85.0000 SCANS=1218 RTINSECONDS=585.63 CHARGE=1- MSLEVEL=2 52.8939 1.8E4 53.2840 1.7E4 57.9921 3.2E5 59.6436 1.9E4 67.6931 2.1E4 85.0027 6.0E6 87.2228 1.9E4 96.3122 2.0E4 96.8889 2.3E4 103.0897 1.8E4 END IONS BEGIN IONS FEATURE_ID=1219 PEPMASS=193.0055 SCANS=1219 RTINSECONDS=586.98 CHARGE=1- MSLEVEL=2 57.9922 4.7E3 59.6145 2.8E3 70.6135 2.7E3 84.9890 5.4E3 84.9921 1.2E4 85.0029 1.9E6 85.0134 1.4E4 90.9309 2.8E3 96.8886 5.3E3 97.1239 2.6E3 180.5910 3.0E3 193.0873 6.4E3 207.2866 3.3E3 END IONS BEGIN IONS FEATURE_ID=1220 PEPMASS=84.9973 SCANS=1220 RTINSECONDS=588.857 CHARGE=1- MSLEVEL=2 51.3839 1.2E4 54.1524 1.4E4 57.9922 2.2E5 85.0029 4.4E6 96.8876 1.7E4 END IONS BEGIN IONS FEATURE_ID=1221 PEPMASS=205.0347 SCANS=1221 RTINSECONDS=590.737 CHARGE=1- MSLEVEL=2 51.5132 2.4E3 59.1141 2.1E3 67.0304 2.1E3 71.0483 8.5E3 81.0327 5.1E3 85.0025 3.1E3 96.8901 3.3E3 99.0435 8.0E4 101.0227 7.8E4 111.0071 2.9E3 115.0386 4.1E4 120.9890 3.5E3 125.0225 2.9E5 143.0334 4.9E4 145.0127 1.7E5 187.0238 1.0E5 205.0344 1.4E5 END IONS BEGIN IONS FEATURE_ID=1222 PEPMASS=191.0196 SCANS=1222 RTINSECONDS=590.936 CHARGE=1- MSLEVEL=2 57.0332 1.2E5 58.9842 7.5E3 67.0174 3.1E4 72.9918 8.8E3 73.0280 9.1E3 73.1160 1.1E4 78.2828 7.5E3 85.0279 6.7E5 87.0072 1.1E6 89.6653 9.1E3 96.8891 3.9E4 101.0223 1.1E4 102.9468 1.4E4 103.0385 1.4E4 111.0073 3.2E6 116.9078 7.5E3 117.0179 2.9E4 121.0967 7.3E3 124.3524 8.2E3 129.0175 1.7E5 130.9977 1.5E4 147.0284 1.8E4 154.9963 4.4E4 173.0076 8.6E4 191.0187 3.4E5 END IONS BEGIN IONS FEATURE_ID=1223 PEPMASS=333.0598 SCANS=1223 RTINSECONDS=590.959 CHARGE=1- MSLEVEL=2 58.5279 2.8E3 78.9575 1.9E5 96.8880 4.5E3 96.9678 4.5E4 150.9780 4.3E3 152.9945 5.7E5 171.0047 4.8E4 223.3348 2.8E3 241.0113 2.8E5 259.0222 1.1E4 333.0595 1.3E6 END IONS BEGIN IONS FEATURE_ID=1224 PEPMASS=133.0128 SCANS=1224 RTINSECONDS=591.545 CHARGE=1- MSLEVEL=2 66.4130 2.1E3 71.0124 1.8E5 71.0174 3.3E3 72.9915 3.2E4 76.6329 1.8E3 89.0227 2.5E4 115.0020 2.8E5 132.8660 8.4E4 133.0126 6.4E4 133.0499 3.0E3 147.9469 2.3E3 END IONS BEGIN IONS FEATURE_ID=1225 PEPMASS=192.0212 SCANS=1225 RTINSECONDS=591.767 CHARGE=1- MSLEVEL=2 57.0332 6.8E3 58.0367 3.5E3 85.0279 1.9E4 86.0312 4.1E4 87.0070 4.8E4 88.0105 4.3E4 96.8894 2.4E3 99.1593 2.3E3 111.0071 5.3E4 111.9990 3.2E3 112.0105 2.1E5 112.0216 2.6E3 119.8626 1.9E3 129.0176 3.3E3 130.0206 1.1E4 174.0125 8.1E3 192.0209 3.0E4 END IONS BEGIN IONS FEATURE_ID=1226 PEPMASS=84.9957 SCANS=1226 RTINSECONDS=591.832 CHARGE=1- MSLEVEL=2 57.9919 3.9E5 61.5520 2.3E4 68.0002 2.2E4 84.9921 5.1E4 85.0027 7.6E6 85.0135 4.6E4 96.8914 2.6E4 END IONS BEGIN IONS FEATURE_ID=1227 PEPMASS=111.0068 SCANS=1227 RTINSECONDS=591.903 CHARGE=1- MSLEVEL=2 54.6651 2.1E3 65.9973 3.7E3 67.0175 8.5E3 83.6799 2.2E3 87.2620 2.0E3 96.8887 2.5E3 97.3411 2.5E3 97.9101 2.3E3 98.1227 1.7E3 107.2137 2.4E3 107.5136 2.2E3 107.5372 1.9E3 108.6530 1.9E3 110.9738 2.2E3 111.0071 1.9E4 111.0188 3.9E3 111.6481 2.0E3 END IONS BEGIN IONS FEATURE_ID=1228 PEPMASS=104.0271 SCANS=1228 RTINSECONDS=592.603 CHARGE=1- MSLEVEL=2 53.6350 2.7E3 58.9189 2.6E3 75.6096 3.2E3 81.7424 2.7E3 84.7131 3.1E3 87.4089 3.2E3 104.0239 9.2E3 117.1146 2.6E3 122.1139 2.6E3 END IONS BEGIN IONS FEATURE_ID=1229 PEPMASS=85.0056 SCANS=1229 RTINSECONDS=593.391 CHARGE=1- MSLEVEL=2 57.9921 4.1E5 64.4559 2.2E4 72.4378 2.0E4 85.0028 8.1E6 85.0134 6.2E4 96.8888 4.0E4 END IONS BEGIN IONS FEATURE_ID=1230 PEPMASS=84.9976 SCANS=1230 RTINSECONDS=595.912 CHARGE=1- MSLEVEL=2 53.9102 8.6E3 57.9920 1.7E5 61.1972 9.2E3 62.2437 1.0E4 70.0065 9.7E3 85.0027 3.2E6 96.8885 1.8E4 END IONS BEGIN IONS FEATURE_ID=1231 PEPMASS=133.0127 SCANS=1231 RTINSECONDS=596.782 CHARGE=1- MSLEVEL=2 53.7328 2.1E3 58.4605 2.2E3 67.4636 2.7E3 71.0066 2.7E3 71.0124 1.8E5 71.0173 4.2E3 72.9914 3.6E4 87.0076 3.0E3 88.0322 2.0E3 89.0229 2.1E4 94.0065 2.4E3 96.8904 2.6E3 108.3567 2.5E3 115.0021 2.8E5 122.0292 2.3E3 132.8660 7.4E4 133.0127 6.3E4 END IONS BEGIN IONS FEATURE_ID=1232 PEPMASS=191.0269 SCANS=1232 RTINSECONDS=597.283 CHARGE=1- MSLEVEL=2 57.0332 1.0E5 64.7796 8.0E3 67.0173 2.1E4 70.1908 7.5E3 72.9918 1.4E4 84.6070 7.3E3 85.0278 6.3E5 87.0071 1.0E6 96.8891 1.6E4 101.0224 9.3E3 102.9470 1.5E4 110.9988 2.1E4 111.0072 3.0E6 117.0176 1.1E4 129.0174 1.5E5 130.9958 1.2E4 147.0282 1.0E4 154.9965 3.3E4 173.0073 5.9E4 191.0189 3.2E5 END IONS BEGIN IONS FEATURE_ID=1233 PEPMASS=194.9450 SCANS=1233 RTINSECONDS=598.852 CHARGE=1- MSLEVEL=2 51.2618 2.1E3 59.0128 2.7E3 59.3260 2.3E3 75.0070 1.9E4 78.9575 1.4E5 96.8894 3.5E3 96.9679 6.6E5 96.9808 3.5E3 97.0107 2.3E3 99.0070 4.4E3 102.7024 2.6E3 121.0443 2.7E3 126.5354 2.2E3 129.0178 1.1E4 130.9904 1.3E4 158.9237 2.2E4 159.0280 3.7E3 176.9340 4.9E4 182.4721 2.8E3 194.9018 4.3E3 195.0500 2.9E4 204.3756 2.8E3 208.1951 2.2E3 214.3765 2.5E3 END IONS BEGIN IONS FEATURE_ID=1234 PEPMASS=96.9680 SCANS=1234 RTINSECONDS=599.244 CHARGE=1- MSLEVEL=2 78.9482 1.9E4 78.9502 2.2E4 78.9577 3.0E6 78.9654 1.6E4 78.9672 1.8E4 79.9559 1.6E5 95.1740 3.7E3 96.8856 5.7E3 96.8911 8.6E3 96.9385 7.7E3 96.9456 2.2E4 96.9487 3.3E4 96.9521 2.1E4 96.9589 3.8E6 96.9676 2.3E5 END IONS BEGIN IONS FEATURE_ID=1235 PEPMASS=133.0177 SCANS=1235 RTINSECONDS=600.41 CHARGE=1- MSLEVEL=2 56.4742 1.9E3 57.7814 2.5E3 59.0123 2.9E3 71.0124 1.8E5 72.6857 2.0E3 72.9914 3.1E4 87.0072 4.4E3 89.0227 2.1E4 90.8886 2.2E3 96.8872 3.2E3 115.0021 2.6E5 132.8662 7.2E4 133.0124 6.0E4 END IONS BEGIN IONS FEATURE_ID=1236 PEPMASS=111.0068 SCANS=1236 RTINSECONDS=600.751 CHARGE=1- MSLEVEL=2 51.1477 2.1E3 65.9971 3.4E3 67.0176 7.1E3 72.8500 2.4E3 73.8766 1.9E3 77.9664 2.0E3 86.2541 2.1E3 89.3904 1.8E3 90.2168 2.0E3 101.6627 2.1E3 103.6345 2.2E3 106.0065 2.5E3 111.0070 2.5E4 113.2331 2.0E3 118.3626 2.1E3 END IONS BEGIN IONS FEATURE_ID=1237 PEPMASS=192.0211 SCANS=1237 RTINSECONDS=601.485 CHARGE=1- MSLEVEL=2 57.0332 5.3E3 58.0370 2.8E3 78.1768 2.0E3 83.0377 2.4E3 85.0278 2.1E4 86.0311 4.4E4 87.0070 4.2E4 88.0105 4.2E4 96.8887 3.2E3 111.0070 4.5E4 112.0105 2.3E5 129.0181 3.0E3 130.0213 9.2E3 130.7448 2.1E3 174.0113 4.7E3 192.0217 3.1E4 END IONS BEGIN IONS FEATURE_ID=1238 PEPMASS=205.0344 SCANS=1238 RTINSECONDS=601.681 CHARGE=1- MSLEVEL=2 54.0849 2.3E3 71.0487 4.2E3 96.8866 2.2E3 99.0433 4.0E4 101.0228 3.7E4 115.0385 2.5E4 125.0227 1.4E5 143.0335 2.5E4 145.0128 7.2E4 180.9825 2.2E3 187.0238 4.6E4 205.0345 6.1E4 END IONS BEGIN IONS FEATURE_ID=1239 PEPMASS=84.9975 SCANS=1239 RTINSECONDS=602.294 CHARGE=1- MSLEVEL=2 52.2792 2.3E4 57.9919 3.0E5 68.0000 2.8E4 85.0027 6.3E6 92.9976 2.3E4 96.8899 3.3E4 END IONS BEGIN IONS FEATURE_ID=1240 PEPMASS=104.0268 SCANS=1240 RTINSECONDS=602.318 CHARGE=1- MSLEVEL=2 60.0159 4.0E3 68.7430 2.7E3 78.8665 3.0E3 96.8886 3.2E3 104.0238 7.9E3 114.9541 2.9E3 END IONS BEGIN IONS FEATURE_ID=1241 PEPMASS=191.0193 SCANS=1241 RTINSECONDS=602.645 CHARGE=1- MSLEVEL=2 57.0333 8.1E4 67.0178 1.8E4 69.1636 5.7E3 72.9917 6.3E3 85.0279 5.8E5 85.0352 7.3E3 87.0072 8.7E5 96.8898 6.8E3 102.9470 6.2E3 103.0377 5.9E3 111.0073 2.4E6 117.0177 1.1E4 119.8228 5.5E3 127.5797 5.3E3 129.0177 1.3E5 141.0544 6.5E3 147.0278 8.4E3 154.9972 2.0E4 159.3928 6.5E3 173.0069 5.0E4 191.0190 2.5E5 END IONS BEGIN IONS FEATURE_ID=1242 PEPMASS=209.0293 SCANS=1242 RTINSECONDS=602.903 CHARGE=1- MSLEVEL=2 50.3388 2.1E3 51.5140 2.4E3 55.5960 2.2E3 57.0332 8.9E3 58.1117 2.2E3 58.9889 2.0E3 59.0123 1.1E4 59.2878 2.3E3 69.9220 2.4E3 71.0125 1.0E4 85.0278 8.6E4 89.0226 5.4E3 96.8890 3.8E3 102.5376 2.5E3 110.0725 2.2E3 129.0176 3.9E3 133.0129 9.1E3 145.9995 3.5E3 147.0284 3.8E3 191.0182 1.3E4 192.7677 2.1E3 209.0296 2.8E4 END IONS BEGIN IONS FEATURE_ID=1243 PEPMASS=96.9678 SCANS=1243 RTINSECONDS=604.321 CHARGE=1- MSLEVEL=2 60.4652 2.5E3 62.4178 2.5E3 65.8399 2.3E3 69.8451 2.3E3 78.9577 1.2E6 78.9655 6.0E3 78.9672 9.6E3 79.9558 9.1E4 81.2281 2.4E3 83.3068 2.4E3 85.6889 2.7E3 93.7963 2.8E3 95.0922 2.5E3 96.8881 4.6E3 96.9271 3.7E3 96.9456 1.0E4 96.9588 2.1E6 96.9676 9.5E4 98.1198 2.3E3 98.6818 2.6E3 END IONS BEGIN IONS FEATURE_ID=1244 PEPMASS=84.9977 SCANS=1244 RTINSECONDS=604.51 CHARGE=1- MSLEVEL=2 57.9919 4.0E5 60.4622 3.1E4 70.0766 2.9E4 77.8833 2.3E4 85.0028 7.7E6 96.8902 2.7E4 END IONS BEGIN IONS FEATURE_ID=1245 PEPMASS=84.9957 SCANS=1245 RTINSECONDS=604.753 CHARGE=1- MSLEVEL=2 57.9921 3.7E5 68.0001 2.5E4 84.9921 5.7E4 85.0028 8.2E6 96.8879 2.7E4 101.4785 2.0E4 END IONS BEGIN IONS FEATURE_ID=1246 PEPMASS=111.0067 SCANS=1246 RTINSECONDS=605.014 CHARGE=1- MSLEVEL=2 63.8087 1.8E3 63.8381 1.9E3 65.9972 6.7E3 67.0176 4.6E3 68.0127 2.1E3 81.0422 2.1E3 96.8873 2.6E3 111.0075 1.1E4 111.0177 2.0E3 122.7269 1.9E3 END IONS BEGIN IONS FEATURE_ID=1247 PEPMASS=205.0339 SCANS=1247 RTINSECONDS=605.876 CHARGE=1- MSLEVEL=2 52.8615 2.3E3 65.9770 2.0E3 72.0000 2.2E3 79.0227 2.3E3 85.0029 3.4E3 96.8912 2.4E3 99.0434 2.3E4 101.0229 2.4E4 103.1122 2.4E3 115.0382 9.0E3 125.0226 7.5E4 127.6483 2.8E3 143.0334 1.6E4 145.0129 5.2E4 179.3736 2.8E3 187.0234 2.5E4 202.4038 2.8E3 205.0349 3.4E4 END IONS BEGIN IONS FEATURE_ID=1248 PEPMASS=191.0276 SCANS=1248 RTINSECONDS=605.894 CHARGE=1- MSLEVEL=2 54.4268 4.3E3 57.0331 5.5E4 67.0175 9.0E3 73.0278 5.8E3 76.6154 3.9E3 85.0278 3.7E5 87.0071 5.5E5 102.9473 1.6E4 103.0385 7.6E3 111.0072 1.6E6 117.0174 9.6E3 129.0176 7.9E4 130.9966 5.2E3 151.1535 3.8E3 154.9967 1.6E4 173.0075 3.3E4 191.0185 1.7E5 191.0558 4.5E3 195.6456 3.8E3 END IONS BEGIN IONS FEATURE_ID=1249 PEPMASS=133.0125 SCANS=1249 RTINSECONDS=606.314 CHARGE=1- MSLEVEL=2 50.8469 1.9E3 52.3774 2.0E3 61.5476 2.7E3 70.1929 2.0E3 71.0124 1.7E5 71.0174 4.1E3 72.9913 3.2E4 82.2648 2.1E3 83.1391 1.9E3 89.0227 1.8E4 96.8873 3.2E3 115.0021 2.9E5 132.8663 8.5E4 133.0128 5.6E4 END IONS BEGIN IONS FEATURE_ID=1250 PEPMASS=84.9999 SCANS=1250 RTINSECONDS=608.453 CHARGE=1- MSLEVEL=2 51.3653 2.2E4 51.5158 3.0E4 57.9919 3.7E5 67.9999 2.3E4 74.3991 2.1E4 85.0027 7.2E6 91.8592 2.0E4 92.6753 1.9E4 END IONS BEGIN IONS FEATURE_ID=1251 PEPMASS=84.9948 SCANS=1251 RTINSECONDS=608.851 CHARGE=1- MSLEVEL=2 50.2434 2.3E4 57.9920 3.3E5 59.8449 2.0E4 66.7919 2.2E4 68.0003 2.9E4 80.0919 2.2E4 85.0027 6.6E6 85.6419 2.6E4 96.8904 3.7E4 98.1229 2.2E4 104.5092 2.8E4 END IONS BEGIN IONS FEATURE_ID=1252 PEPMASS=191.0269 SCANS=1252 RTINSECONDS=612.405 CHARGE=1- MSLEVEL=2 52.9617 5.6E3 55.1975 4.9E3 57.0332 8.0E4 67.0173 1.2E4 72.9917 7.7E3 85.0204 8.4E3 85.0279 5.4E5 87.0072 7.9E5 96.8872 6.9E3 101.0229 6.0E3 102.9470 1.4E4 103.0390 6.1E3 111.0072 2.4E6 111.0230 1.8E4 117.0179 7.8E3 129.0175 1.2E5 130.9976 8.2E3 147.0283 1.5E4 154.9968 2.3E4 173.0081 3.9E4 191.0189 2.6E5 END IONS BEGIN IONS FEATURE_ID=1253 PEPMASS=133.0130 SCANS=1253 RTINSECONDS=613.186 CHARGE=1- MSLEVEL=2 71.0068 3.2E3 71.0124 2.3E5 71.0174 3.2E3 71.0181 2.1E3 72.9915 3.4E4 87.0075 2.9E3 89.0227 2.7E4 95.5785 2.1E3 96.8878 3.7E3 105.5184 2.2E3 108.4001 2.0E3 110.9487 2.1E3 115.0021 3.4E5 132.8662 7.0E4 133.0127 7.8E4 END IONS BEGIN IONS FEATURE_ID=1254 PEPMASS=84.9975 SCANS=1254 RTINSECONDS=613.267 CHARGE=1- MSLEVEL=2 57.9920 2.7E5 67.9997 2.3E4 79.9878 1.7E4 85.0028 5.3E6 85.0133 3.0E4 87.9863 1.8E4 96.6376 1.7E4 103.0768 1.8E4 103.9021 1.6E4 END IONS BEGIN IONS FEATURE_ID=1255 PEPMASS=191.0265 SCANS=1255 RTINSECONDS=613.941 CHARGE=1- MSLEVEL=2 57.0333 8.4E4 67.0175 1.8E4 73.0278 8.8E3 85.0202 8.1E3 85.0280 5.2E5 85.0353 6.6E3 87.0072 8.1E5 96.8901 1.8E4 101.4148 5.2E3 102.9472 1.8E4 110.9918 7.7E3 110.9937 5.8E3 111.0074 2.4E6 117.0178 9.4E3 129.0175 1.2E5 130.9981 8.4E3 147.0289 1.6E4 150.5792 6.2E3 154.9968 2.5E4 173.0070 5.2E4 191.0187 2.4E5 END IONS BEGIN IONS FEATURE_ID=1256 PEPMASS=191.0278 SCANS=1256 RTINSECONDS=615.511 CHARGE=1- MSLEVEL=2 54.6427 4.7E3 57.0333 7.7E4 67.0174 2.0E4 72.9920 5.5E3 75.3825 4.8E3 85.0279 5.1E5 85.0350 5.6E3 86.5026 5.2E3 87.0071 7.6E5 96.8881 6.5E3 102.9469 1.4E4 103.0385 6.7E3 111.0073 2.3E6 115.3524 4.5E3 117.0173 1.4E4 129.0176 1.2E5 130.9977 7.0E3 146.9381 6.4E3 147.0286 1.2E4 154.9983 2.4E4 173.0076 4.3E4 191.0189 2.5E5 191.0530 5.4E3 END IONS BEGIN IONS FEATURE_ID=1257 PEPMASS=85.0000 SCANS=1257 RTINSECONDS=616.587 CHARGE=1- MSLEVEL=2 51.5294 2.6E4 57.9920 3.5E5 59.0593 2.7E4 63.7264 2.5E4 81.3315 2.4E4 84.9921 3.8E4 85.0027 6.9E6 89.1030 2.7E4 91.2545 2.5E4 95.5306 2.1E4 96.8894 2.6E4 END IONS BEGIN IONS FEATURE_ID=1258 PEPMASS=104.0295 SCANS=1258 RTINSECONDS=616.683 CHARGE=1- MSLEVEL=2 53.2384 2.5E3 58.0378 2.2E3 78.3770 2.4E3 82.1243 2.5E3 82.6867 2.3E3 96.8878 4.2E3 104.0240 7.2E3 118.1042 2.5E3 END IONS BEGIN IONS FEATURE_ID=1259 PEPMASS=84.9975 SCANS=1259 RTINSECONDS=618.592 CHARGE=1- MSLEVEL=2 51.5196 1.8E4 55.6495 1.7E4 57.9919 2.2E5 68.0001 1.8E4 77.5935 1.6E4 83.2667 1.6E4 85.0028 4.7E6 85.4545 1.5E4 96.8878 2.9E4 END IONS BEGIN IONS FEATURE_ID=1260 PEPMASS=193.0056 SCANS=1260 RTINSECONDS=620.133 CHARGE=1- MSLEVEL=2 57.9919 7.1E3 65.8952 2.8E3 70.1095 2.9E3 84.9921 1.7E4 84.9947 8.7E3 85.0029 2.4E6 85.0134 1.7E4 90.9317 4.5E3 96.8882 4.9E3 113.0812 2.8E3 126.4280 3.2E3 193.0870 1.3E4 END IONS BEGIN IONS FEATURE_ID=1261 PEPMASS=133.0127 SCANS=1261 RTINSECONDS=622.155 CHARGE=1- MSLEVEL=2 58.6616 2.0E3 62.6789 2.0E3 71.0122 1.3E5 72.9912 2.2E4 83.2224 2.6E3 87.0071 2.7E3 89.0227 1.7E4 93.6506 2.7E3 96.8882 6.1E3 114.9902 2.5E3 114.9919 2.7E3 115.0019 2.1E5 115.0116 4.1E3 115.0136 2.6E3 120.0731 2.1E3 132.8663 5.2E4 133.0124 5.0E4 END IONS BEGIN IONS FEATURE_ID=1262 PEPMASS=103.0130 SCANS=1262 RTINSECONDS=623.091 CHARGE=1- MSLEVEL=2 50.8784 2.0E3 57.2234 1.8E3 59.0124 1.1E5 61.2922 2.1E3 69.1774 1.9E3 73.9741 1.9E3 75.0070 1.9E3 76.0048 9.8E3 94.0439 2.0E3 96.8899 3.4E3 103.0160 2.4E4 END IONS BEGIN IONS FEATURE_ID=1263 PEPMASS=84.9977 SCANS=1263 RTINSECONDS=624.948 CHARGE=1- MSLEVEL=2 57.9919 3.3E5 70.3135 2.2E4 71.2766 1.9E4 71.3359 2.1E4 85.0027 7.2E6 96.8885 2.7E4 102.8181 2.1E4 END IONS BEGIN IONS FEATURE_ID=1264 PEPMASS=84.9998 SCANS=1264 RTINSECONDS=626.487 CHARGE=1- MSLEVEL=2 57.8121 1.8E4 57.9920 3.7E5 65.4295 1.6E4 66.0775 1.7E4 67.9999 2.2E4 84.9921 4.7E4 85.0028 7.3E6 85.0134 5.2E4 96.8882 3.0E4 END IONS BEGIN IONS FEATURE_ID=1265 PEPMASS=103.0128 SCANS=1265 RTINSECONDS=631.659 CHARGE=1- MSLEVEL=2 51.5300 2.2E3 59.0123 8.6E4 76.0048 1.1E4 96.8898 2.9E3 103.0160 2.0E4 END IONS BEGIN IONS FEATURE_ID=1266 PEPMASS=192.9972 SCANS=1266 RTINSECONDS=632.067 CHARGE=1- MSLEVEL=2 57.9924 3.8E3 61.3980 2.1E3 84.9920 9.8E3 85.0029 1.6E6 85.0134 1.0E4 85.0283 2.8E3 90.9328 2.4E3 96.8861 2.8E3 121.1460 2.4E3 193.0863 8.8E3 END IONS BEGIN IONS FEATURE_ID=1267 PEPMASS=84.9975 SCANS=1267 RTINSECONDS=633.826 CHARGE=1- MSLEVEL=2 51.5272 1.4E4 57.9921 2.0E5 63.0387 1.2E4 65.7190 1.1E4 72.9056 1.2E4 85.0028 4.1E6 96.8894 1.7E4 END IONS BEGIN IONS FEATURE_ID=1268 PEPMASS=191.0274 SCANS=1268 RTINSECONDS=634.727 CHARGE=1- MSLEVEL=2 51.5382 3.7E3 57.0332 3.9E4 57.3646 3.7E3 62.7957 4.4E3 67.0176 7.8E3 72.2556 3.1E3 72.9912 3.5E3 78.5927 3.1E3 85.0278 2.9E5 85.0352 4.8E3 87.0071 4.6E5 91.3494 3.6E3 96.8896 5.7E3 101.0228 6.3E3 101.7710 3.4E3 102.8259 3.5E3 102.9469 2.1E4 109.8059 3.2E3 111.0072 1.4E6 117.0172 7.3E3 117.1135 3.1E3 121.7563 3.5E3 128.3666 3.3E3 129.0177 6.8E4 130.9971 8.5E3 138.1423 3.6E3 146.9374 5.9E3 147.0285 8.4E3 154.9973 1.4E4 168.4768 3.2E3 170.9874 4.2E3 173.0073 2.3E4 191.0185 1.7E5 197.5904 3.8E3 204.0445 3.1E3 END IONS BEGIN IONS FEATURE_ID=1269 PEPMASS=85.0000 SCANS=1269 RTINSECONDS=636.796 CHARGE=1- MSLEVEL=2 51.5500 3.4E4 55.3542 2.0E4 57.9920 3.7E5 62.6071 2.2E4 67.1034 2.6E4 84.9890 2.9E4 85.0028 8.0E6 85.0134 4.1E4 END IONS BEGIN IONS FEATURE_ID=1270 PEPMASS=84.9978 SCANS=1270 RTINSECONDS=637.878 CHARGE=1- MSLEVEL=2 57.9920 3.2E5 68.6835 1.9E4 71.9897 1.8E4 84.9922 3.6E4 85.0027 6.3E6 96.8835 2.3E4 96.8895 3.0E4 END IONS BEGIN IONS FEATURE_ID=1271 PEPMASS=192.9974 SCANS=1271 RTINSECONDS=638.214 CHARGE=1- MSLEVEL=2 50.9432 2.6E3 57.9919 3.6E3 60.4602 2.4E3 66.2998 2.2E3 84.9921 9.5E3 84.9946 6.4E3 85.0028 1.5E6 85.0135 9.2E3 85.0165 3.7E3 91.7248 2.7E3 96.8897 4.9E3 113.0115 2.4E3 152.0617 2.3E3 187.3060 2.7E3 192.1353 3.0E3 192.9971 3.4E3 193.0873 5.7E3 200.9072 2.4E3 END IONS BEGIN IONS FEATURE_ID=1272 PEPMASS=169.9796 SCANS=1272 RTINSECONDS=642.216 CHARGE=1- MSLEVEL=2 50.6235 2.3E3 61.9866 1.2E4 62.2964 1.9E3 71.7197 2.0E3 74.2017 2.1E3 75.3741 2.0E3 80.4156 2.4E3 85.0027 4.4E5 101.7468 2.1E3 105.8699 2.3E3 129.4809 2.3E3 135.8804 2.1E3 170.0348 2.5E3 175.3586 2.4E3 179.1422 2.8E3 END IONS BEGIN IONS FEATURE_ID=1273 PEPMASS=112.9841 SCANS=1273 RTINSECONDS=643.651 CHARGE=1- MSLEVEL=2 51.5307 1.9E3 53.8875 2.3E3 54.5197 1.9E3 61.9001 1.8E3 66.2989 1.8E3 68.9943 3.5E4 75.8556 2.2E3 84.9890 2.2E3 85.0027 4.3E3 96.8871 3.4E3 96.8926 2.4E3 103.9484 1.9E3 106.9911 2.3E3 109.1280 1.9E3 112.9980 1.9E4 131.4201 2.2E3 END IONS BEGIN IONS FEATURE_ID=1274 PEPMASS=193.0059 SCANS=1274 RTINSECONDS=645.393 CHARGE=1- MSLEVEL=2 51.5139 2.8E3 55.4614 2.2E3 57.1704 2.2E3 57.9920 6.0E3 59.3809 2.8E3 82.8478 2.5E3 84.9922 1.2E4 84.9945 9.7E3 85.0029 1.9E6 85.0134 1.3E4 87.0590 2.5E3 90.9316 2.9E3 96.8877 5.3E3 192.9961 2.9E3 193.0863 1.1E4 208.7336 2.9E3 END IONS BEGIN IONS FEATURE_ID=1275 PEPMASS=85.0000 SCANS=1275 RTINSECONDS=645.499 CHARGE=1- MSLEVEL=2 57.9921 4.0E5 68.0003 3.6E4 84.9861 2.1E4 85.0029 7.6E6 85.0135 4.0E4 85.0166 2.2E4 88.3511 1.7E4 91.1586 1.5E4 92.0238 1.7E4 96.8726 1.7E4 END IONS BEGIN IONS FEATURE_ID=1276 PEPMASS=85.0000 SCANS=1276 RTINSECONDS=645.652 CHARGE=1- MSLEVEL=2 50.9188 1.7E4 52.5019 1.5E4 57.9921 3.2E5 60.4963 2.0E4 66.5886 1.6E4 67.9999 2.2E4 84.8501 1.6E4 85.0028 6.2E6 96.8892 1.7E4 END IONS BEGIN IONS FEATURE_ID=1277 PEPMASS=96.9585 SCANS=1277 RTINSECONDS=646.37 CHARGE=1- MSLEVEL=2 54.8669 2.0E3 59.6229 2.3E3 78.9575 2.1E5 78.9640 2.4E3 79.9557 5.5E4 82.1467 2.5E3 96.8875 3.7E3 96.9454 1.0E4 96.9586 1.3E6 96.9686 2.1E4 96.9715 3.3E3 END IONS BEGIN IONS FEATURE_ID=1278 PEPMASS=192.9977 SCANS=1278 RTINSECONDS=647.685 CHARGE=1- MSLEVEL=2 57.9920 5.5E3 61.3133 2.5E3 82.4867 2.3E3 84.9767 2.8E3 84.9893 4.6E3 84.9921 8.8E3 85.0029 1.5E6 85.0135 1.0E4 96.8883 3.8E3 102.7872 2.0E3 175.7524 2.7E3 192.9986 2.7E3 193.0870 1.1E4 END IONS BEGIN IONS FEATURE_ID=1279 PEPMASS=191.0192 SCANS=1279 RTINSECONDS=648.451 CHARGE=1- MSLEVEL=2 50.0065 2.4E3 57.0333 1.8E4 59.0126 2.7E3 66.3764 2.3E3 85.0279 1.0E5 87.0071 1.5E5 87.0152 2.6E3 87.0631 2.6E3 87.9232 3.8E3 93.3890 2.3E3 96.8897 2.9E3 102.9472 4.0E4 111.0071 4.4E5 129.0179 2.3E4 146.9373 8.2E3 147.0285 2.7E3 154.9968 3.7E3 165.8051 2.4E3 173.0084 9.5E3 191.0189 5.0E4 191.0549 3.6E3 191.1556 2.3E3 END IONS BEGIN IONS FEATURE_ID=1280 PEPMASS=84.9977 SCANS=1280 RTINSECONDS=649.447 CHARGE=1- MSLEVEL=2 57.9921 4.0E5 61.1539 2.8E4 67.9999 3.6E4 79.3520 2.3E4 85.0028 7.0E6 96.8903 2.7E4 END IONS BEGIN IONS FEATURE_ID=1281 PEPMASS=112.9839 SCANS=1281 RTINSECONDS=649.711 CHARGE=1- MSLEVEL=2 51.5324 2.5E3 58.3192 1.9E3 60.4789 2.1E3 68.9941 3.0E4 71.9754 2.4E3 76.2608 2.1E3 85.0027 6.7E3 85.7775 2.0E3 94.9848 2.0E3 101.3152 2.0E3 105.6618 2.0E3 112.9974 2.3E4 128.4766 1.9E3 128.7839 1.9E3 129.4235 2.1E3 END IONS BEGIN IONS FEATURE_ID=1282 PEPMASS=133.0124 SCANS=1282 RTINSECONDS=650.964 CHARGE=1- MSLEVEL=2 64.6637 2.5E3 66.7962 2.0E3 70.9237 2.0E3 71.0125 4.5E4 72.9911 1.0E4 78.4818 2.0E3 89.0230 6.0E3 90.0067 2.6E3 90.7325 1.9E3 105.2610 2.0E3 115.0021 7.9E4 132.8665 7.4E4 133.0126 1.5E4 END IONS BEGIN IONS FEATURE_ID=1283 PEPMASS=85.0000 SCANS=1283 RTINSECONDS=653.377 CHARGE=1- MSLEVEL=2 53.6917 2.4E4 57.9920 3.4E5 67.8703 2.4E4 78.4575 2.5E4 79.3847 2.8E4 85.0028 7.4E6 85.0134 3.9E4 100.8208 2.0E4 END IONS BEGIN IONS FEATURE_ID=1284 PEPMASS=192.9976 SCANS=1284 RTINSECONDS=653.763 CHARGE=1- MSLEVEL=2 57.8744 3.2E3 57.9920 9.5E3 67.0652 2.5E3 81.5612 3.0E3 84.9921 1.5E4 84.9944 9.5E3 85.0028 2.2E6 85.0134 1.7E4 86.2953 3.0E3 96.8871 4.1E3 126.6579 3.1E3 192.9963 4.4E3 193.0864 9.2E3 END IONS BEGIN IONS FEATURE_ID=1285 PEPMASS=103.0132 SCANS=1285 RTINSECONDS=654.674 CHARGE=1- MSLEVEL=2 50.4098 2.3E3 52.7425 2.4E3 59.0124 1.6E5 64.8607 2.1E3 67.2376 2.4E3 76.0053 7.0E3 88.0051 2.5E3 96.8887 2.9E3 103.0159 2.3E4 115.6769 2.0E3 END IONS BEGIN IONS FEATURE_ID=1286 PEPMASS=96.9585 SCANS=1286 RTINSECONDS=654.7 CHARGE=1- MSLEVEL=2 51.5160 2.0E3 55.3519 2.0E3 57.8609 2.5E3 71.9494 2.5E3 78.9576 2.5E5 78.9637 4.6E3 79.1388 2.3E3 79.9559 5.2E4 87.3035 2.2E3 96.8893 2.7E3 96.9587 1.4E6 96.9673 1.3E4 96.9687 2.2E4 96.9718 3.9E3 96.9751 2.9E3 97.0376 2.1E3 100.4015 2.1E3 100.9300 2.3E3 END IONS BEGIN IONS FEATURE_ID=1287 PEPMASS=191.0183 SCANS=1287 RTINSECONDS=655.071 CHARGE=1- MSLEVEL=2 51.5443 2.8E3 57.0333 1.5E4 58.8761 2.2E3 59.0120 2.5E3 63.7268 2.3E3 67.0174 4.8E3 85.0278 1.1E5 87.0071 1.6E5 87.0148 2.4E3 91.0009 2.4E3 96.8890 3.0E3 102.9470 3.1E4 111.0071 5.1E5 129.0175 2.5E4 139.2803 2.3E3 146.9364 7.1E3 170.9874 2.7E3 173.0075 1.3E4 191.0187 5.5E4 END IONS BEGIN IONS FEATURE_ID=1288 PEPMASS=191.0194 SCANS=1288 RTINSECONDS=655.444 CHARGE=1- MSLEVEL=2 52.6445 2.2E3 55.2647 2.3E3 56.0075 2.1E3 57.0334 2.0E4 58.9579 2.6E3 60.4598 2.5E3 67.0173 2.6E3 85.0279 1.2E5 87.0072 2.1E5 87.0139 4.2E3 87.9233 3.0E3 96.8909 3.5E3 102.9471 3.7E4 111.0073 5.9E5 115.0282 2.6E3 129.0177 3.4E4 146.9378 1.0E4 147.0289 6.9E3 154.9971 3.8E3 170.9857 2.6E3 173.0070 1.4E4 191.0192 6.8E4 191.0556 4.7E3 END IONS BEGIN IONS FEATURE_ID=1289 PEPMASS=169.9797 SCANS=1289 RTINSECONDS=656.398 CHARGE=1- MSLEVEL=2 61.9869 1.1E4 68.9793 2.3E3 85.0027 5.9E5 88.2913 2.2E3 92.0115 2.4E3 96.8904 4.6E3 98.1114 2.5E3 101.7412 2.3E3 140.7890 2.2E3 169.8679 3.6E3 176.8336 2.0E3 END IONS BEGIN IONS FEATURE_ID=1290 PEPMASS=84.9954 SCANS=1290 RTINSECONDS=657.021 CHARGE=1- MSLEVEL=2 50.1056 2.6E4 50.5232 2.4E4 51.6731 2.3E4 57.9920 3.0E5 58.6565 2.2E4 68.0002 4.6E4 70.9231 2.4E4 76.6577 2.6E4 85.0028 5.1E6 96.8883 3.6E4 END IONS BEGIN IONS FEATURE_ID=1291 PEPMASS=192.9961 SCANS=1291 RTINSECONDS=657.043 CHARGE=1- MSLEVEL=2 52.5117 2.3E3 54.5394 2.4E3 54.5625 2.2E3 62.9411 2.4E3 69.4131 2.2E3 85.0027 5.4E5 89.2063 2.1E3 98.7396 2.2E3 111.4694 2.4E3 116.3278 2.1E3 148.9319 2.2E3 149.0042 2.0E3 192.9905 2.4E3 193.0865 9.8E3 195.6402 2.2E3 END IONS BEGIN IONS FEATURE_ID=1292 PEPMASS=84.9976 SCANS=1292 RTINSECONDS=657.74 CHARGE=1- MSLEVEL=2 50.1056 2.6E4 50.5232 2.4E4 51.6731 2.3E4 57.9920 3.0E5 58.6565 2.2E4 68.0002 4.6E4 70.9231 2.4E4 76.6577 2.6E4 85.0028 5.1E6 96.8883 3.6E4 END IONS BEGIN IONS FEATURE_ID=1293 PEPMASS=85.0000 SCANS=1293 RTINSECONDS=658.305 CHARGE=1- MSLEVEL=2 56.4448 1.8E4 57.9921 3.9E5 60.4149 1.9E4 68.0000 2.2E4 79.9698 1.9E4 84.9921 6.6E4 85.0028 8.9E6 85.0135 5.4E4 96.8903 3.0E4 END IONS BEGIN IONS FEATURE_ID=1294 PEPMASS=158.9778 SCANS=1294 RTINSECONDS=659.173 CHARGE=1- MSLEVEL=2 58.9973 2.8E4 70.9973 3.3E5 75.8238 2.2E4 86.9921 1.1E6 93.4922 2.1E4 95.9216 2.1E4 96.8883 4.3E4 102.9872 3.5E6 105.1467 2.0E4 114.9870 9.1E5 130.9823 8.4E6 131.9826 3.7E4 141.2467 1.8E4 150.1877 2.1E4 153.7225 2.2E4 158.9771 2.8E5 168.1850 2.0E4 END IONS BEGIN IONS FEATURE_ID=1295 PEPMASS=114.9868 SCANS=1295 RTINSECONDS=659.205 CHARGE=1- MSLEVEL=2 58.9975 2.8E3 59.4519 2.8E3 70.9974 8.5E3 73.0391 2.5E3 84.1154 2.4E3 86.7377 2.4E3 86.9921 3.4E4 96.8889 2.8E3 102.9872 4.0E5 115.0284 3.3E3 124.7583 2.3E3 130.9818 1.9E4 END IONS BEGIN IONS FEATURE_ID=1296 PEPMASS=159.9780 SCANS=1296 RTINSECONDS=659.228 CHARGE=1- MSLEVEL=2 59.9982 4.9E3 64.8160 3.0E3 70.9972 2.9E3 71.9979 1.4E4 73.0988 3.7E3 86.9921 9.6E3 87.9928 5.6E4 96.8884 1.5E4 102.9869 1.0E5 103.9879 6.3E5 104.9845 9.3E3 115.9879 3.7E4 127.7607 3.1E3 130.9819 1.0E5 131.9569 4.8E3 131.9834 1.6E6 132.9789 1.7E4 133.9876 5.5E3 144.4113 3.5E3 159.9782 4.4E4 END IONS BEGIN IONS FEATURE_ID=1297 PEPMASS=111.9870 SCANS=1297 RTINSECONDS=659.248 CHARGE=1- MSLEVEL=2 51.5212 2.7E3 53.4648 1.8E3 83.6548 1.8E3 83.9926 3.0E3 85.0027 1.1E4 87.0723 2.4E3 96.8918 2.2E3 99.9875 6.9E4 112.0137 1.2E4 127.9820 5.6E3 END IONS BEGIN IONS FEATURE_ID=1298 PEPMASS=155.9777 SCANS=1298 RTINSECONDS=659.252 CHARGE=1- MSLEVEL=2 54.2414 3.3E3 67.9975 5.2E3 71.6790 3.6E3 83.9924 4.0E4 96.8869 4.3E3 96.8928 3.0E3 99.9876 5.4E5 104.5711 3.4E3 111.9875 1.2E5 119.3849 3.7E3 127.9576 5.0E3 127.9827 2.0E6 128.0081 6.4E3 155.9771 5.9E4 173.9397 4.0E3 END IONS BEGIN IONS FEATURE_ID=1299 PEPMASS=386.9374 SCANS=1299 RTINSECONDS=659.284 CHARGE=1- MSLEVEL=2 51.6964 2.3E3 54.0653 2.2E3 66.7088 2.3E3 72.9341 2.4E3 78.7206 2.6E3 102.9871 3.5E3 114.9872 8.6E3 130.9817 7.7E4 158.9583 3.0E3 158.9613 4.7E3 158.9770 1.9E5 158.9932 4.3E3 158.9955 2.2E3 216.9687 5.3E3 244.9630 2.5E3 272.9585 1.2E5 284.8177 2.4E3 348.9072 2.5E3 END IONS BEGIN IONS FEATURE_ID=1300 PEPMASS=272.9594 SCANS=1300 RTINSECONDS=659.3 CHARGE=1- MSLEVEL=2 50.6604 6.5E3 52.9014 5.2E3 55.6837 5.6E3 70.9973 1.8E4 86.9920 6.8E4 96.8891 1.0E4 100.0924 5.4E3 102.9870 1.8E5 114.9870 2.6E5 130.9610 1.2E4 130.9820 2.0E6 131.0021 8.5E3 132.9865 6.8E3 153.3810 5.4E3 156.9790 7.1E3 157.9735 8.5E3 158.9772 3.4E6 188.9737 2.6E4 197.4685 6.0E3 216.9674 7.5E4 225.6107 6.1E3 228.9698 8.2E3 244.9622 3.3E4 265.2551 7.1E3 272.9579 1.8E5 290.6236 6.8E3 END IONS BEGIN IONS FEATURE_ID=1301 PEPMASS=269.9580 SCANS=1301 RTINSECONDS=659.324 CHARGE=1- MSLEVEL=2 50.4440 2.4E3 50.5849 2.1E3 52.1227 2.4E3 66.5172 2.3E3 96.8885 2.3E3 99.9875 1.8E4 111.9874 3.9E4 127.9687 3.1E3 127.9711 4.6E3 127.9822 2.6E5 155.9776 5.5E5 213.9692 4.4E3 253.9702 2.5E3 269.9605 2.1E4 END IONS BEGIN IONS FEATURE_ID=1302 PEPMASS=130.9814 SCANS=1302 RTINSECONDS=659.418 CHARGE=1- MSLEVEL=2 52.9258 2.0E3 61.4656 2.1E3 65.9973 3.0E3 77.3147 1.9E3 77.3193 1.9E3 77.6996 2.0E3 84.5001 2.3E3 94.6294 2.2E3 96.8856 2.9E3 96.8915 3.3E3 97.4891 2.2E3 98.5331 2.0E3 108.5414 1.9E3 112.9460 2.3E3 118.1515 2.1E3 130.7578 2.1E3 131.0350 9.2E3 133.1831 2.1E3 149.7282 2.3E3 END IONS BEGIN IONS FEATURE_ID=1303 PEPMASS=312.9650 SCANS=1303 RTINSECONDS=659.467 CHARGE=1- MSLEVEL=2 58.1759 2.3E3 85.0027 3.9E5 85.1544 2.4E3 87.0637 2.3E3 93.2553 2.4E3 99.7949 2.6E3 109.4872 2.3E3 109.5533 2.2E3 127.0205 2.7E3 130.9821 2.1E4 152.2717 2.5E3 158.9771 3.9E4 168.0685 2.6E3 170.9886 4.9E3 198.9838 3.0E5 312.9658 3.7E4 END IONS BEGIN IONS FEATURE_ID=1304 PEPMASS=289.9485 SCANS=1304 RTINSECONDS=659.609 CHARGE=1- MSLEVEL=2 51.5133 2.9E3 58.7375 2.3E3 61.9869 1.7E5 63.0327 2.3E3 69.3421 2.5E3 83.7172 2.2E3 96.8881 4.4E3 98.3853 2.5E3 116.0908 2.7E3 130.9820 3.0E3 131.9779 8.0E3 145.3689 2.4E3 147.9723 6.9E4 174.9556 2.3E3 175.9671 3.1E5 194.1411 2.4E3 211.6754 2.5E3 233.9574 3.9E3 261.8923 4.4E3 289.9493 2.2E4 291.8420 2.4E3 END IONS BEGIN IONS FEATURE_ID=1305 PEPMASS=158.9769 SCANS=1305 RTINSECONDS=663.431 CHARGE=1- MSLEVEL=2 56.5137 2.0E3 58.9974 3.9E3 70.9974 9.9E3 86.9921 4.4E4 89.6609 2.0E3 96.8914 3.8E3 102.9871 3.3E5 107.9901 2.4E3 114.9869 2.0E4 115.0744 2.6E3 118.4630 2.5E3 130.9822 6.9E5 158.9773 2.1E4 169.9138 2.4E3 175.2280 2.1E3 176.7406 2.1E3 END IONS BEGIN IONS FEATURE_ID=1306 PEPMASS=84.9975 SCANS=1306 RTINSECONDS=664.562 CHARGE=1- MSLEVEL=2 50.1951 1.5E4 57.9921 1.8E5 75.2608 1.2E4 77.2598 1.5E4 85.0028 4.1E6 98.3546 1.4E4 END IONS BEGIN IONS FEATURE_ID=1307 PEPMASS=169.9798 SCANS=1307 RTINSECONDS=667.301 CHARGE=1- MSLEVEL=2 50.0396 2.0E3 57.9918 2.8E3 59.3377 2.1E3 61.9868 1.3E4 64.8199 1.8E3 74.6380 2.1E3 83.9078 2.0E3 84.9922 4.0E3 85.0028 6.0E5 96.8901 3.7E3 105.0575 2.3E3 167.3295 2.3E3 169.8679 5.0E3 170.8322 5.2E3 188.0458 2.7E3 END IONS BEGIN IONS FEATURE_ID=1308 PEPMASS=103.0127 SCANS=1308 RTINSECONDS=667.715 CHARGE=1- MSLEVEL=2 59.0123 9.8E4 64.0476 2.0E3 66.7634 2.1E3 76.0054 7.9E3 85.8387 1.9E3 96.8867 2.6E3 100.4890 2.0E3 103.0158 1.9E4 104.3337 2.0E3 END IONS BEGIN IONS FEATURE_ID=1309 PEPMASS=84.9976 SCANS=1309 RTINSECONDS=669.139 CHARGE=1- MSLEVEL=2 51.5911 1.9E4 57.9921 3.4E5 65.7353 2.1E4 70.1907 2.0E4 85.0028 6.2E6 96.8888 2.9E4 END IONS BEGIN IONS FEATURE_ID=1310 PEPMASS=192.9975 SCANS=1310 RTINSECONDS=669.683 CHARGE=1- MSLEVEL=2 54.7729 2.4E3 57.9920 9.7E3 74.8101 2.8E3 84.9890 5.9E3 84.9921 1.3E4 84.9945 9.4E3 85.0028 2.1E6 85.0134 1.5E4 87.0736 2.5E3 95.5139 2.4E3 96.8869 4.0E3 126.5946 2.6E3 145.3083 2.7E3 176.7332 2.6E3 192.9971 3.1E3 193.0864 8.8E3 205.7190 2.6E3 END IONS BEGIN IONS FEATURE_ID=1311 PEPMASS=85.0000 SCANS=1311 RTINSECONDS=670.44 CHARGE=1- MSLEVEL=2 57.9919 3.3E5 85.0027 6.2E6 85.0133 4.3E4 102.6000 2.1E4 END IONS BEGIN IONS FEATURE_ID=1312 PEPMASS=193.0052 SCANS=1312 RTINSECONDS=670.632 CHARGE=1- MSLEVEL=2 56.9027 2.1E3 57.9921 4.1E3 58.4645 2.0E3 58.8315 2.3E3 65.5493 2.7E3 84.9890 4.0E3 84.9921 1.3E4 84.9947 3.3E3 85.0029 1.6E6 85.0134 1.0E4 93.9055 2.3E3 94.9921 2.1E3 96.8861 5.0E3 96.8919 3.7E3 101.4737 2.1E3 109.2898 2.4E3 114.5995 2.2E3 138.1068 2.4E3 142.6357 2.2E3 151.0886 2.2E3 188.4747 2.5E3 193.0865 8.9E3 194.7238 2.4E3 197.7429 2.3E3 END IONS BEGIN IONS FEATURE_ID=1313 PEPMASS=96.9585 SCANS=1313 RTINSECONDS=675.395 CHARGE=1- MSLEVEL=2 50.0360 2.0E3 56.7877 2.0E3 65.2326 2.4E3 78.9574 1.4E5 78.9631 3.7E3 78.9642 2.4E3 79.9556 5.0E4 90.5639 2.5E3 96.8886 2.4E3 96.9586 1.1E6 96.9665 4.8E3 96.9688 1.2E4 96.9716 3.3E3 106.5197 2.1E3 111.6458 2.3E3 END IONS BEGIN IONS FEATURE_ID=1314 PEPMASS=84.9976 SCANS=1314 RTINSECONDS=676.708 CHARGE=1- MSLEVEL=2 55.0938 2.0E4 57.9920 2.9E5 65.4183 2.3E4 75.3176 2.1E4 85.0028 6.0E6 96.8871 3.2E4 96.8923 2.2E4 END IONS BEGIN IONS FEATURE_ID=1315 PEPMASS=193.0054 SCANS=1315 RTINSECONDS=679.345 CHARGE=1- MSLEVEL=2 51.5161 2.7E3 57.9921 6.7E3 60.4124 3.2E3 71.9536 2.8E3 84.9921 1.5E4 84.9942 9.0E3 85.0028 2.1E6 85.0134 1.3E4 128.0991 3.0E3 134.4696 2.9E3 145.4085 3.1E3 173.4086 2.8E3 177.2460 3.2E3 193.0870 9.0E3 END IONS BEGIN IONS FEATURE_ID=1316 PEPMASS=85.0000 SCANS=1316 RTINSECONDS=680.108 CHARGE=1- MSLEVEL=2 57.9919 3.9E5 63.6071 2.8E4 67.9998 2.6E4 72.2859 2.5E4 85.0027 8.3E6 96.8885 4.8E4 END IONS BEGIN IONS FEATURE_ID=1317 PEPMASS=96.9585 SCANS=1317 RTINSECONDS=682.42 CHARGE=1- MSLEVEL=2 74.5709 2.1E3 78.9575 1.1E5 79.9559 4.8E4 96.8883 4.0E3 96.9587 1.1E6 99.1416 2.2E3 END IONS BEGIN IONS FEATURE_ID=1318 PEPMASS=84.9976 SCANS=1318 RTINSECONDS=684.537 CHARGE=1- MSLEVEL=2 57.9919 2.5E5 67.9998 2.8E4 78.2027 2.2E4 85.0027 5.8E6 87.0817 2.1E4 88.7486 1.8E4 END IONS BEGIN IONS FEATURE_ID=1319 PEPMASS=191.0181 SCANS=1319 RTINSECONDS=684.583 CHARGE=1- MSLEVEL=2 55.7420 2.1E3 57.0332 8.5E3 59.0122 2.1E3 63.2743 2.3E3 67.0174 3.7E3 69.2964 2.0E3 69.7236 2.2E3 70.3788 2.3E3 76.1822 2.7E3 85.0278 7.6E4 87.0071 1.2E5 89.9611 2.1E3 90.5654 2.3E3 96.8911 3.9E3 102.9470 2.3E4 111.0071 3.4E5 113.3643 2.2E3 124.3410 2.1E3 129.0176 1.7E4 146.9368 8.7E3 173.0076 4.6E3 191.0189 3.6E4 191.0357 4.0E3 191.0551 2.9E3 199.0122 2.0E3 END IONS BEGIN IONS FEATURE_ID=1320 PEPMASS=84.9998 SCANS=1320 RTINSECONDS=688.169 CHARGE=1- MSLEVEL=2 55.0178 2.1E4 57.9919 3.6E5 67.9999 2.9E4 69.8179 2.6E4 85.0027 6.9E6 85.0134 4.7E4 89.4087 2.4E4 END IONS BEGIN IONS FEATURE_ID=1321 PEPMASS=191.0180 SCANS=1321 RTINSECONDS=690.726 CHARGE=1- MSLEVEL=2 51.5602 2.4E3 56.0141 2.5E3 57.0332 1.2E4 57.7479 2.1E3 65.1420 2.6E3 82.3241 2.1E3 85.0278 6.8E4 87.0071 1.1E5 96.8875 3.0E3 97.5134 2.1E3 98.7307 2.3E3 102.9472 2.3E4 110.3236 2.3E3 111.0071 2.9E5 117.2757 2.0E3 129.0174 1.6E4 146.9376 3.9E3 151.4997 2.1E3 154.9971 3.6E3 173.0083 3.7E3 191.0188 3.1E4 191.0555 2.0E3 END IONS BEGIN IONS FEATURE_ID=1322 PEPMASS=192.9977 SCANS=1322 RTINSECONDS=692.673 CHARGE=1- MSLEVEL=2 57.5926 2.3E3 57.9921 6.2E3 59.3749 2.4E3 67.3358 2.4E3 68.9141 2.5E3 78.3804 2.5E3 84.9922 1.4E4 84.9945 1.1E4 85.0029 2.0E6 85.0135 1.3E4 89.3355 2.9E3 92.1793 3.1E3 96.8873 3.7E3 109.9952 3.2E3 110.6366 2.5E3 110.7923 2.9E3 152.5014 3.1E3 165.5617 2.3E3 193.0870 7.7E3 211.6239 2.4E3 END IONS BEGIN IONS FEATURE_ID=1323 PEPMASS=191.0184 SCANS=1323 RTINSECONDS=694.395 CHARGE=1- MSLEVEL=2 57.0334 1.1E4 70.6317 2.2E3 71.0503 2.5E3 72.9916 2.6E3 76.2118 2.6E3 78.5177 2.4E3 85.0280 8.9E4 87.0073 1.4E5 87.1366 2.4E3 96.8914 2.9E3 102.9473 3.0E4 111.0073 3.9E5 129.0180 2.0E4 142.9911 2.5E3 146.9369 6.8E3 173.0075 8.1E3 191.0189 4.4E4 END IONS BEGIN IONS FEATURE_ID=1324 PEPMASS=84.9975 SCANS=1324 RTINSECONDS=695.394 CHARGE=1- MSLEVEL=2 50.3934 1.5E4 51.1051 1.4E4 57.9921 2.6E5 85.0028 4.7E6 85.5859 1.4E4 94.1554 1.4E4 96.8895 2.4E4 END IONS BEGIN IONS FEATURE_ID=1325 PEPMASS=85.0000 SCANS=1325 RTINSECONDS=696.334 CHARGE=1- MSLEVEL=2 53.3967 1.8E4 57.9920 4.1E5 61.9861 1.9E4 68.0001 4.3E4 74.9951 2.0E4 83.9190 2.0E4 84.9920 6.0E4 84.9939 3.3E4 85.0027 7.8E6 85.0134 5.9E4 93.7797 1.9E4 96.8888 2.7E4 END IONS BEGIN IONS FEATURE_ID=1326 PEPMASS=191.0178 SCANS=1326 RTINSECONDS=698.833 CHARGE=1- MSLEVEL=2 55.1714 2.3E3 57.0332 1.2E4 76.0766 2.3E3 77.0626 2.3E3 85.0027 3.5E3 85.0277 3.9E4 87.0071 7.2E4 87.9239 2.9E3 92.4643 2.4E3 96.8890 2.9E3 102.9471 2.4E4 107.0698 2.4E3 111.0069 2.2E5 111.0179 2.9E3 129.0169 1.5E4 146.4228 2.3E3 146.9365 3.4E3 173.0084 3.9E3 175.2372 2.4E3 191.0184 2.8E4 END IONS BEGIN IONS FEATURE_ID=1327 PEPMASS=192.9975 SCANS=1327 RTINSECONDS=701.518 CHARGE=1- MSLEVEL=2 54.8675 2.3E3 57.9920 7.9E3 77.5373 2.5E3 85.0029 1.5E6 85.0135 8.3E3 85.0164 4.3E3 86.5284 2.3E3 96.8880 5.2E3 106.6709 2.4E3 110.0707 2.8E3 181.8491 2.8E3 193.0855 1.2E4 210.7882 2.5E3 END IONS BEGIN IONS FEATURE_ID=1328 PEPMASS=104.0273 SCANS=1328 RTINSECONDS=702.761 CHARGE=1- MSLEVEL=2 53.9375 3.1E3 60.0156 2.9E3 73.6810 3.0E3 80.9553 2.5E3 104.0241 7.2E3 104.0940 3.1E3 END IONS BEGIN IONS FEATURE_ID=1329 PEPMASS=174.9556 SCANS=1329 RTINSECONDS=705.569 CHARGE=1- MSLEVEL=2 56.3822 4.9E3 60.8833 6.5E3 90.9697 1.2E4 96.8881 1.4E4 118.9646 5.9E5 135.4698 5.9E3 146.9356 1.8E4 146.9600 2.8E6 146.9843 1.8E4 174.9545 1.8E5 181.3804 6.0E3 183.2757 5.8E3 END IONS BEGIN IONS FEATURE_ID=1330 PEPMASS=85.0000 SCANS=1330 RTINSECONDS=705.623 CHARGE=1- MSLEVEL=2 57.9922 3.5E5 68.0000 2.2E4 83.9950 7.9E3 84.9744 6.2E3 84.9921 5.8E4 85.0029 7.2E6 85.0113 6.0E4 85.0135 4.5E4 85.0281 9.3E3 END IONS BEGIN IONS FEATURE_ID=1331 PEPMASS=304.9140 SCANS=1331 RTINSECONDS=705.748 CHARGE=1- MSLEVEL=2 72.6858 2.2E3 82.2937 2.4E3 118.9649 7.7E3 146.9595 1.6E5 174.9543 2.3E5 214.3526 2.5E3 268.8730 2.3E3 270.7217 2.5E3 276.9186 2.7E3 304.9147 2.7E4 END IONS BEGIN IONS FEATURE_ID=1332 PEPMASS=84.9975 SCANS=1332 RTINSECONDS=705.984 CHARGE=1- MSLEVEL=2 51.5209 1.6E4 54.5225 1.3E4 57.9920 2.3E5 60.4652 1.5E4 67.9383 1.3E4 68.0001 1.6E4 68.9437 1.4E4 71.7803 1.4E4 84.9920 3.1E4 85.0028 4.9E6 96.8916 1.7E4 END IONS BEGIN IONS FEATURE_ID=1333 PEPMASS=174.9627 SCANS=1333 RTINSECONDS=710.704 CHARGE=1- MSLEVEL=2 52.3008 3.1E3 52.4057 3.1E3 60.1854 3.7E3 63.8308 3.7E3 66.0281 3.4E3 70.4940 3.6E3 72.4323 3.4E3 89.8416 3.7E3 96.8898 5.9E3 118.9646 3.0E5 146.9355 9.3E3 146.9598 1.6E6 146.9841 1.0E4 161.3011 3.7E3 174.9548 9.9E4 END IONS BEGIN IONS FEATURE_ID=1334 PEPMASS=193.0048 SCANS=1334 RTINSECONDS=711.272 CHARGE=1- MSLEVEL=2 52.1123 2.5E3 56.9800 2.9E3 57.9922 6.4E3 62.6109 2.8E3 66.4420 2.3E3 84.9922 1.3E4 84.9947 8.6E3 85.0029 1.9E6 85.0135 1.2E4 91.3992 2.3E3 94.1610 2.8E3 96.8887 3.0E3 151.9749 2.5E3 193.0868 8.0E3 END IONS BEGIN IONS FEATURE_ID=1335 PEPMASS=84.9975 SCANS=1335 RTINSECONDS=715.117 CHARGE=1- MSLEVEL=2 57.9921 2.3E5 63.4021 1.8E4 85.0028 5.0E6 96.8881 2.4E4 END IONS BEGIN IONS FEATURE_ID=1336 PEPMASS=85.0000 SCANS=1336 RTINSECONDS=716.921 CHARGE=1- MSLEVEL=2 51.4481 2.3E4 54.6786 2.0E4 56.2747 2.1E4 57.9920 3.7E5 65.8705 2.4E4 66.5180 2.5E4 67.9998 3.0E4 85.0027 6.7E6 87.0058 2.4E4 88.8313 2.6E4 96.8894 3.0E4 END IONS nf_output/clustering/featuretable_reformated.csv0000644000000000000000000142150014652135336021361 0ustar rootrootrow ID,row m/z,row retention time,intensity_measure,ion_mobility,ion_mobility_unit,ccs,correlation group ID,annotation network number,best ion,auto MS2 verify,identified by n=,partners,neutral M mass,20231117_PMA_MAPP_01_22_035_neg.mzML Peak area,20221109_PMA_MAPP_01_22_033_neg_post_01.mzML Peak area,20231117_PMA_MAPP_01_22_033_neg.mzML Peak area,20231117_PMA_MAPP_01_22_034_neg.mzML Peak area,20231117_PMA_MAPP_01_22_036_neg.mzML Peak area,20221109_PMA_MAPP_01_22_033_neg_post_02.mzML Peak area,20231117_PMA_MAPP_01_22_023_neg.mzML Peak area,20231117_PMA_MAPP_01_22_032_neg.mzML Peak area,20231117_PMA_MAPP_01_22_018_neg.mzML Peak area,20231117_PMA_MAPP_01_22_008_neg.mzML Peak 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1336,85.0000177982939,11.948685,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,180529.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209145.78,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0, nf_output/GNPS-IOBA-NHC.mgf.tsv0000644000000000000000000000000114652135335014770 0ustar rootroot nf_output/IQAMDB.mgf.tsv0000644000000000000000000000000114652135335014040 0ustar rootroot nf_output/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf.tsv0000644000000000000000000000000114652135335020276 0ustar rootroot nf_output/GNPS-NIST14-MATCHES.mgf.tsv0000644000000000000000000000000114652135336015655 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv0000644000000000000000000000000114652135335017077 0ustar rootroot nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv0000644000000000000000000000000114652135337021533 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf.tsv0000644000000000000000000000000114652135336022157 0ustar rootroot nf_output/HCE-CELL-LYSATE-LIPIDS.mgf.tsv0000644000000000000000000000000114652135335016200 0ustar rootroot nf_output/BMDMS-NP.mgf.tsv0000644000000000000000000000000114652135341014255 0ustar rootroot nf_output/GNPS-NUTRI-METAB-FEM-NEG.mgf.tsv0000644000000000000000000000000114652135335016413 0ustar rootroot nf_output/UM-NPDC.mgf.tsv0000644000000000000000000000000114652135335014146 0ustar rootroot nf_output/BIRMINGHAM-UHPLC-MS-NEG.mgf.tsv0000644000000000000000000000000114652135335016315 0ustar rootroot nf_output/MASSBANK.mgf.tsv0000644000000000000000000000000114652135337014304 0ustar rootroot nf_output/MONA.mgf.tsv0000644000000000000000000000000114652135352013634 0ustar rootroot nf_output/networking/0000755000000000000000000000000014652135745014002 5ustar rootrootnf_output/networking/clustersummary_with_network.tsv0000644000000000000000000017660614652135743022461 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_condition:GNPSGROUP:WT ATTRIBUTE_condition:GNPSGROUP:HN ATTRIBUTE_condition:GNPSGROUP:NifH ATTRIBUTE_condition:GNPSGROUP:Argon ATTRIBUTE_condition:GNPSGROUP:C ATTRIBUTE_condition:GNPSGROUP:QC component #Scan# Compound_Name 1 106.03963666865631 0.068792604 0.0 -1 2 160.8407213925656 0.15010205 0.0 -1 3 162.8375246931903 0.15010205 0.0 -1 4 195.8101708909831 0.15010205 0.0 -1 5 197.8072597670436 0.15010205 0.0 5 6 106.03933617366758 0.16980761 0.0 -1 7 90.00798623688479 0.3601483 0.0 -1 8 84.99772706582407 0.39350966 0.0 11 9 84.9988846629439 0.39464524 0.0 -1 10 260.9104667397305 0.41850305 0.0 203 11 84.99698741336563 0.44541538 0.0 -1 12 92.02392646110296 0.45183653 0.0 -1 13 84.99899882019922 0.45640144 0.0 -1 14 90.00787230251325 0.4905137 0.0 -1 15 84.99757059082468 0.51163626 0.0 -1 16 133.01242026082576 0.51761454 0.0 28 17 96.9581253375832 0.5279029 0.0 -1 18 501.3583194563994 0.5428216 0.0 -1 19 455.35421187721965 0.54299504 0.0 -1 20 191.01830008259364 0.5476472 0.0 6 20.0 citric acid (Chimeric precursor selection) 21 459.3465890401712 0.5532131 0.0 107 22 431.3152761466517 0.56076443 0.0 107 23 293.1759454856371 0.57258606 0.0 -1 24 313.0726648595477 0.5830232 0.0 30 25 297.07698214914035 0.5913711 0.0 30 26 431.1833007935049 0.6076747 0.0 107 27 431.15297067023965 0.6173482 3026182.9 -1 28 470.1609898756046 0.6173482 264825.685 -1 29 267.06493482618305 0.6381554 0.0 30 30 84.9976120167458 0.643843 0.0 -1 31 108.0072019865784 0.6562676 0.0 -1 32 121.02754466346862 0.65949875 0.0 -1 33 141.01828550452862 0.66362315 0.0 17 34 242.1583206154673 0.67027295 388316.845 122 35 104.02953185872347 0.6746178 0.0 -1 36 84.99739849911577 0.6972246 0.0 -1 37 200.0552040125904 0.6986922 0.0 -1 38 84.9958120038194 0.7520609 0.0 -1 39 187.08307956188327 0.75656706 661325.62 122 39.0 AZELAIC ACID 40 187.0950228442196 0.75791943 0.0 122 40.0 azelaic acid 41 310.94573946174114 0.7712725 0.0 92 42 85.01183687184854 0.7730688 0.0 -1 43 104.0317807668528 0.7789779 0.0 -1 44 103.01578183632856 0.7836271 0.0 -1 45 84.99754896412131 0.79263926 0.0 -1 46 104.02947208663498 0.802169 0.0 -1 47 173.0682938097365 0.81036985 267641.69 122 48 103.01347813617244 0.8124913 0.0 -1 49 104.02714588504526 0.81912625 0.0 -1 50 104.02952912576067 0.8255969 0.0 -1 51 186.09912209637423 0.85108936 1732545.3 122 52 84.9950183772125 0.85427237 0.0 -1 53 84.99390334298634 0.8629079 0.0 11 54 84.99727712769439 0.86831415 0.0 -1 55 102.01256142125342 0.8732586 0.0 -1 56 267.02838964059094 0.87539417 0.0 30 57 109.99758961519451 0.87903005 0.0 -1 58 141.01833766716837 0.89412844 0.0 17 59 99.00666702435896 0.8944507 0.0 -1 60 103.01302901656749 0.89814353 0.0 -1 61 104.03179709506566 0.90143114 0.0 -1 62 163.0238221056769 0.9051723 0.0 -1 63 310.9456186832283 0.9176091 0.0 -1 64 172.08433409823198 0.9338869 745809.7 122 65 104.02949405336504 0.9414159 0.0 -1 66 85.01200806243385 0.9474513 0.0 -1 67 85.00842460850458 0.9492081 0.0 -1 68 84.99612576561046 0.9530128 0.0 -1 69 84.99764069748626 0.9657445 0.0 11 70 84.99762999867266 0.9664224 0.0 11 71 145.0485405431715 0.96775347 0.0 -1 72 104.02792174620242 0.96978325 0.0 -1 73 104.03160609831168 0.98051393 0.0 -1 74 128.01046547531232 0.988858 0.0 -1 75 310.9468120350052 0.9899387 0.0 92 76 103.0138034665756 0.9966882 0.0 1 77 93.00768789825642 1.005426 0.0 43 78 90.0078396579058 1.0065733 0.0 -1 79 102.01177863369296 1.0103809 0.0 -1 80 104.02720611838292 1.0110548 0.0 35 81 84.99430994836972 1.0179573 0.0 -1 82 85.00583447254667 1.0278958 0.0 -1 83 104.02947329037664 1.0315964 0.0 -1 84 163.023930108649 1.0400558 0.0 65 85 103.01570449589286 1.0416611 0.0 -1 86 109.99751861286592 1.0421175 0.0 70 87 102.00847807323154 1.0448596 0.0 -1 88 103.01502618369284 1.0453995 0.0 -1 89 104.020082432112 1.0491974 0.0 101 90 102.01226861404606 1.0542676 0.0 -1 91 103.01246006508195 1.0569174 0.0 -1 92 105.02653999783328 1.0608904 0.0 -1 93 84.99744675121052 1.0629061 0.0 11 94 141.0185413670085 1.067259 0.0 76 95 85.01197161838962 1.0877461 0.0 -1 96 102.00828005993934 1.0929456 0.0 -1 97 84.99594967509736 1.097886 0.0 -1 98 219.01298760825608 1.0982652 0.0 32 99 104.0318137005521 1.100898 0.0 101 100 219.0140664158845 1.1069344 0.0 32 101 102.01401129512246 1.1145753 0.0 -1 102 84.99364374772841 1.121908 0.0 11 103 104.02953046295318 1.145881 0.0 35 104 84.99714255180211 1.1576414 0.0 -1 105 102.01472065540985 1.1619763 0.0 -1 106 103.0136664794994 1.1649466 0.0 1 107 104.02720154177564 1.1704236 0.0 -1 108 102.01170052856855 1.1775745 0.0 -1 109 103.01540928443916 1.1835911 0.0 -1 110 103.01390261882293 1.1853174 0.0 -1 111 84.99746129849883 1.1916862 0.0 71 112 163.0239261922234 1.192126 0.0 -1 113 104.03278518064567 1.1944582 0.0 -1 114 84.9941075803853 1.2026126 0.0 -1 115 85.00575104934049 1.2283354 0.0 11 116 130.04864980569502 1.2406509 0.0 -1 117 104.03201276052364 1.249679 0.0 -1 118 104.02009450907924 1.2595228 0.0 -1 119 343.11501998642694 1.2808752 361345.565 -1 120 93.00775780933829 1.2837954 0.0 43 121 103.01537036087586 1.2909701 0.0 1 122 104.02728344987987 1.3078468 0.0 -1 123 104.02912986562652 1.3159932 0.0 -1 124 104.0329104970472 1.320799 0.0 123 125 84.99762841418466 1.3219118 0.0 11 126 84.99955326840583 1.3249946 0.0 11 127 105.02082119225128 1.3331379 0.0 -1 128 102.01194106612608 1.3388084 0.0 -1 129 85.01190328272729 1.3394438 0.0 -1 130 89.02255700860836 1.340697 0.0 -1 131 163.0240386281884 1.3531144 0.0 -1 132 85.00622875707573 1.361197 0.0 -1 133 84.99593501273392 1.3631879 0.0 -1 134 102.01441237025236 1.3677841 0.0 -1 135 103.01357486003027 1.3729477 0.0 -1 136 84.99410346682589 1.3729564 0.0 198 137 130.04866202268056 1.3832562 0.0 -1 138 89.02254289326874 1.389221 0.0 86 139 104.0315115467565 1.4092002 0.0 -1 140 104.03268952267192 1.414034 0.0 -1 141 104.02942706635812 1.4241552 0.0 -1 142 84.99747699904624 1.4271117 0.0 -1 143 85.00581965267568 1.4290552 0.0 -1 144 104.02717092138386 1.4326112 0.0 123 145 310.9464294067951 1.4519806 0.0 92 146 102.0122064883257 1.4606309 0.0 -1 147 84.99411357240186 1.4697678 0.0 11 148 102.0139777994987 1.4909644 0.0 -1 149 105.02078058086438 1.5039713 0.0 -1 150 104.02717762613293 1.5061266 0.0 -1 151 104.02933248711707 1.5072047 0.0 -1 152 218.1030294259552 1.5250574 0.0 -1 152.0 PANTOTHENIC ACID 153 104.031665387583 1.5285974 0.0 -1 154 103.0150577238719 1.5293773 0.0 37 155 104.01676406208118 1.5431 0.0 -1 156 84.9974793876164 1.5847467 0.0 11 157 163.02404133044132 1.5879569 0.0 65 158 109.99760871882364 1.592544 0.0 70 159 104.0317175136899 1.6003655 0.0 -1 160 104.0273768891878 1.6082075 0.0 -1 161 118.0203406365082 1.6112751 0.0 -1 162 117.01811083854332 1.6130259 0.0 38 163 102.01156925344053 1.6130311 0.0 -1 164 117.0248308584378 1.6146036 0.0 38 165 104.02952567637762 1.6151717 0.0 123 166 117.0096494931136 1.6151705 339865.42 38 167 85.00569882885844 1.6175312 0.0 -1 168 84.99407367043136 1.62332 0.0 -1 169 105.0208769177866 1.6344289 0.0 -1 170 104.01680740051609 1.6408906 0.0 -1 171 103.01556385301004 1.6446002 0.0 1 172 85.01193586848233 1.6498454 0.0 -1 173 84.99542617614748 1.6592582 0.0 -1 174 310.9461423929736 1.6669374 0.0 92 175 104.03324250678962 1.6670904 0.0 131 176 84.99376801303347 1.670347 0.0 11 177 104.02955742612345 1.6726358 0.0 -1 178 84.99739685014093 1.6748623 0.0 -1 179 102.00842153599513 1.69275 0.0 -1 180 163.02411972324182 1.699864 0.0 -1 181 103.01557494685728 1.7011383 0.0 -1 182 102.01176204640676 1.7086736 0.0 -1 183 103.01406525062988 1.7231445 0.0 1 184 237.0385068813076 1.7342104 0.0 -1 185 121.02730477947053 1.73602 0.0 -1 186 237.039494433824 1.7374167 0.0 -1 187 85.00843523530571 1.7430668 0.0 -1 188 104.03170208177072 1.7485089 0.0 -1 189 105.02091847549076 1.7557849 0.0 -1 190 104.02925996081308 1.7627927 0.0 -1 191 84.9940550081014 1.779941 0.0 -1 192 104.0274271593666 1.7801261 0.0 -1 193 104.0327302374119 1.7980012 0.0 -1 194 172.09505309001335 1.8050158 0.0 17 195 84.99632365150953 1.8078455 0.0 -1 196 85.01195209706259 1.8124008 0.0 -1 197 104.02004410131195 1.813386 0.0 -1 198 84.99777225017296 1.8182477 0.0 -1 199 104.03229041137855 1.8254771 0.0 -1 200 102.01205743043232 1.8269641 0.0 -1 201 186.03938259060783 1.8457808 0.0 82 202 163.02406014410622 1.8459861 0.0 65 203 142.04906604421015 1.8462867 0.0 82 204 186.03825278312536 1.8473492 0.0 82 205 84.99586545763759 1.8505201 0.0 -1 206 105.0208119347754 1.8532032 0.0 -1 207 102.0140675786886 1.8614224 0.0 -1 208 84.99753893818001 1.8854011 0.0 -1 209 104.02951297389592 1.889921 0.0 131 210 84.99410165299653 1.8959724 0.0 11 211 104.02717923598324 1.9025232 0.0 -1 212 84.99348852225222 1.9121923 0.0 -1 213 194.1014032737837 1.9132408 0.0 -1 214 103.01239219666306 1.9141792 0.0 -1 215 194.1008437238188 1.9154147 0.0 -1 216 103.01560777573592 1.9280344 0.0 -1 217 84.99733857291179 1.9344074 0.0 -1 218 85.00009730386896 1.9383048 0.0 -1 219 216.0864696000167 1.93837 0.0 211 220 85.01210853035606 1.9499502 0.0 75 221 85.00601020897591 1.960115 0.0 11 222 103.0137200397382 1.9692272 0.0 1 223 104.01683749648468 1.9696409 0.0 -1 224 161.0442853175045 1.9698987 0.0 8 224.0 MEGLUTOL CollisionEnergy:205060 225 102.01164305766318 1.9732193 0.0 -1 226 200.98479535747973 1.9757624 0.0 -1 227 104.03167098988756 1.9803286 0.0 -1 228 90.00773627020261 1.995167 0.0 -1 229 85.00843940227345 2.0000968 0.0 -1 230 84.99752456892108 2.01435 0.0 -1 231 84.99419711062014 2.0537188 0.0 -1 232 104.02005559686184 2.0545657 0.0 -1 233 104.02728845416138 2.0613241 0.0 -1 234 104.02943924509758 2.0617275 0.0 -1 235 85.0121677382421 2.065259 0.0 -1 236 84.99592538659195 2.0653267 0.0 -1 237 163.0237900528297 2.075306 0.0 65 238 105.02086728843356 2.0831711 0.0 -1 239 104.03195582075124 2.0879378 0.0 -1 240 84.99763894285938 2.0903265 0.0 11 241 104.03336507365032 2.0972874 0.0 -1 242 85.00583415796618 2.1021366 0.0 11 243 102.011584300177 2.1130617 0.0 -1 244 84.9940629936082 2.134192 0.0 -1 245 103.01386362714892 2.135479 0.0 -1 246 310.947524182037 2.135479 0.0 92 247 206.0807547920054 2.1452916 0.0 17 247.0 N-Acetyl-DL-phenylalanine 248 104.02853570365168 2.146275 0.0 -1 249 161.04333340118555 2.1472766 0.0 8 250 85.00842435201564 2.1485772 0.0 11 251 103.01546320094825 2.1674366 0.0 -1 252 250.07047136422065 2.173733 0.0 112 253 250.0714755071809 2.1741974 0.0 112 254 84.99740191554497 2.182035 0.0 -1 255 104.03162101417682 2.1981766 0.0 -1 256 104.02941176582613 2.2049866 0.0 -1 257 85.00574115810115 2.2145693 0.0 -1 258 175.0221647275779 2.2157457 0.0 -1 259 163.02379724151646 2.2222857 0.0 65 260 85.01201766624564 2.2319417 0.0 -1 261 104.02715633448108 2.2339284 0.0 -1 262 102.01124233746646 2.236008 0.0 -1 263 85.00845693023268 2.2370262 0.0 11 264 141.01856728277446 2.2408314 0.0 76 265 104.03181201755348 2.2426386 0.0 -1 266 102.00823179994084 2.244238 0.0 -1 267 84.99421605301141 2.246368 0.0 34 268 128.03294664992208 2.2486556 0.0 -1 269 112.98616957074891 2.2508724 0.0 -1 270 84.99752404478465 2.2561224 0.0 -1 271 375.18363992871457 2.268596 0.0 -1 272 84.99616852481235 2.2864463 0.0 11 273 103.01549676676424 2.2934272 0.0 1 274 109.9975902018593 2.3062665 0.0 -1 275 351.1840320641739 2.3085027 0.0 -1 276 373.16809367448616 2.3133655 0.0 -1 277 115.00154763231647 2.3166273 0.0 -1 278 191.01801066061464 2.3168297 0.0 -1 278.0 citric acid (Chimeric precursor selection) 279 85.00586984621926 2.317817 0.0 -1 280 267.0651606452247 2.3192604 0.0 30 281 105.020792098674 2.3269048 0.0 -1 282 117.01769955556756 2.3337593 0.0 -1 283 310.9471965034651 2.3371599 0.0 92 284 104.02714690330906 2.3474338 0.0 -1 285 104.03181389167824 2.3510003 0.0 -1 286 104.02950892560364 2.3513978 0.0 -1 287 163.02400485053408 2.354545 0.0 65 288 104.02830859158664 2.365157 0.0 -1 289 84.9975269609288 2.3674026 0.0 11 290 84.99595107275458 2.3872533 0.0 11 291 165.01658605574357 2.4032707 0.0 -1 292 102.01172921085318 2.4057627 0.0 -1 293 84.9977074497625 2.4084735 0.0 -1 294 84.9939457850215 2.4114416 0.0 -1 295 103.01345583490324 2.4244297 0.0 -1 296 85.01197509602889 2.4268968 0.0 34 297 231.02737957762045 2.4280038 0.0 -1 298 104.027105542507 2.4418416 0.0 -1 299 205.01220260279337 2.444776 0.0 36 300 105.01511030841044 2.4451075 0.0 -1 301 104.02938491958574 2.445682 0.0 118 302 204.01574285124 2.4461598 0.0 36 303 204.00211229911903 2.44914 246806.1 147 304 204.9987881641672 2.44914 320813.57 147 305 105.0080554733686 2.450162 292090.885 -1 306 84.9976532024941 2.4570622 0.0 117 307 135.96894745161205 2.4794931 0.0 -1 308 104.03208805800412 2.4831045 0.0 -1 309 102.00827525499176 2.484337 0.0 -1 310 105.02088414601626 2.4844706 0.0 -1 311 84.99406982702718 2.4888 0.0 117 312 112.98368387157473 2.4921973 0.0 -1 313 104.02004249945186 2.4931593 0.0 -1 314 160.9225700438608 2.4957252 477562.3 -1 315 181.057633078282 2.5054827 1416609.45 -1 316 163.02384812557705 2.5056057 0.0 65 317 103.01522644434608 2.5095277 0.0 -1 318 181.06902620525312 2.5113983 0.0 -1 319 310.94681372904495 2.524114 0.0 92 320 431.118115614354 2.568628 0.0 122 320.0 Licoagroside B 321 191.01766860664145 2.5687175 0.0 -1 322 84.99579146361475 2.5715203 0.0 -1 323 393.174898612623 2.578283 0.0 109 324 104.03174012243052 2.5947857 0.0 -1 325 85.00586310665453 2.5952675 0.0 94 326 85.01199593192827 2.6055162 0.0 11 327 84.99410510478059 2.6205149 0.0 -1 328 103.0133448716025 2.6269214 0.0 33 329 112.9836766359083 2.6337903 0.0 -1 330 134.04574257973496 2.6393764 0.0 -1 331 105.02084234461232 2.6419 0.0 -1 332 163.0239683454353 2.644476 0.0 -1 333 104.027143507333 2.651372 0.0 118 334 104.0295411283206 2.651814 0.0 -1 335 84.99755455688732 2.6799834 0.0 -1 336 449.11772738954 2.6835148 333169.24 29 337 188.0535763825803 2.690576 0.0 48 337.0 N-Acetyl-DL-glutamic acid - 40.0 eV 338 188.05445347017144 2.692873 0.0 48 338.0 N-Acetyl-DL-glutamic acid - 40.0 eV 339 84.99576712737124 2.6960068 0.0 -1 340 86.0055740964825 2.696575 0.0 31 341 104.03169885459812 2.6984224 0.0 -1 342 663.3739307599305 2.7044194 0.0 -1 343 108.01832202146043 2.7085392 0.0 144 344 85.00569210805982 2.7106197 0.0 -1 345 103.01529149336652 2.7137744 0.0 -1 346 85.00006287900652 2.716467 0.0 -1 347 84.99417259701677 2.7327895 0.0 11 348 104.02915066392129 2.7472572 0.0 -1 349 84.99587944649953 2.7531314 0.0 -1 350 104.03186925535957 2.7562354 0.0 -1 351 163.02393735676935 2.7751894 0.0 65 352 84.99758303032341 2.8012276 0.0 -1 353 312.0930316043881 2.8042188 0.0 -1 354 104.03165189865408 2.8064022 0.0 -1 355 312.0952720381861 2.808458 0.0 -1 356 104.0271689534802 2.8084807 0.0 -1 357 103.01293586066926 2.8170338 0.0 1 358 293.1239968470437 2.8219502 0.0 14 359 449.11774422354665 2.8287907 272435.15 29 360 105.02091461203712 2.8328145 0.0 -1 361 310.9474232540905 2.8388474 0.0 92 362 85.01199270367856 2.8399067 0.0 11 363 85.0055701904955 2.841594 0.0 11 364 147.0280756950075 2.8417466 0.0 -1 365 85.008287316175 2.8454506 0.0 -1 366 297.1197773598232 2.846406 0.0 -1 367 287.0898225108614 2.848198 0.0 -1 368 104.01879356259226 2.8618035 0.0 -1 369 84.99737415974901 2.8798316 0.0 11 370 84.99890282034181 2.8810363 0.0 -1 371 306.0573457576133 2.8953285 0.0 -1 372 279.03750019480907 2.8956294 0.0 24 373 104.03164606104218 2.8967085 0.0 -1 374 243.0611158032219 2.9036925 0.0 24 374.0 uridine CollisionEnergy:102040 375 289.06659137887505 2.9037929 0.0 24 375.0 3083-77-0 376 191.0176770049285 2.90694 0.0 6 376.0 citric acid (Chimeric precursor selection) 377 105.0208236283844 2.9119885 0.0 -1 378 245.0912285686759 2.9143507 0.0 74 378.0 N-ACETYLTRYPTOPHAN 379 84.99389919600021 2.9150941 0.0 -1 380 579.1729821720696 2.9177866 0.0 74 381 579.170754593615 2.9189503 0.0 74 382 103.01267554013924 2.920165 0.0 -1 383 163.02383966767533 2.9209068 0.0 65 384 245.0920739989498 2.922346 0.0 74 384.0 N-ACETYLTRYPTOPHAN 385 104.0316209642818 2.9233272 0.0 -1 386 104.02952431729452 2.9276352 0.0 -1 387 188.025501411434 2.9321458 0.0 122 388 125.02199755678556 2.9322286 0.0 -1 389 187.0244729229233 2.9324849 0.0 122 390 85.01190940290476 2.9566908 0.0 -1 391 102.01152596886124 2.965599 0.0 -1 392 104.0271564936276 2.9879408 0.0 -1 393 310.9471536969417 2.9907677 0.0 92 394 85.00000591254337 2.9966583 0.0 -1 395 84.99505046333279 2.9988484 0.0 -1 396 186.0384979235376 3.0101252 0.0 17 397 100.03844179275184 3.0103054 0.0 201 398 142.0497648475803 3.0107899 0.0 17 399 373.0876531151502 3.010794 0.0 -1 400 85.00835491801335 3.0111735 0.0 11 401 143.05232901323862 3.0126915 0.0 17 402 90.0077300500547 3.0197368 0.0 -1 403 103.01332351981124 3.0220287 0.0 -1 404 84.99743532027443 3.02216 0.0 -1 405 260.90999955947825 3.0271852 0.0 203 406 130.04880963477072 3.0288258 0.0 -1 407 191.01752672786856 3.0303252 0.0 6 407.0 citric acid (Chimeric precursor selection) 408 85.00558081729805 3.0309086 0.0 207 409 104.03166825021378 3.0595338 0.0 -1 410 85.01194224021515 3.0600703 0.0 73 411 297.1178633759641 3.0736997 0.0 -1 412 85.00838443978407 3.0864363 0.0 207 413 104.03189509372736 3.0871344 0.0 -1 414 104.02937180345737 3.0947843 0.0 -1 415 84.99406733319601 3.1068904 0.0 73 416 84.99772201381406 3.120398 0.0 -1 417 104.02725716709796 3.1219013 0.0 134 418 187.9256109162692 3.1233692 0.0 -1 419 105.02083016430636 3.1297038 0.0 -1 420 274.0905867168745 3.1316204 0.0 211 421 85.00585527564816 3.1374414 0.0 -1 422 174.03803700652043 3.1384676 0.0 48 423 104.03285864612782 3.1412647 0.0 -1 424 84.99587195720189 3.1583815 0.0 -1 425 102.01176227002938 3.1680038 0.0 -1 426 87.00667455079422 3.1762092 0.0 22 427 104.02838207715745 3.1871703 0.0 -1 428 310.94647684347075 3.1885643 0.0 92 429 351.12668349462547 3.1958392 0.0 109 430 104.02937812907444 3.1989145 0.0 -1 431 105.02081939628373 3.2070177 0.0 -1 432 103.01345042298604 3.214217 0.0 33 433 85.01192693843679 3.217635 0.0 -1 434 175.05888163237245 3.222381 0.0 49 435 84.9940705123906 3.2226462 0.0 11 436 104.02003988918518 3.22789 0.0 191 437 84.99753865612958 3.234178 0.0 -1 438 85.00607885397292 3.2388604 0.0 -1 439 191.0174722865369 3.2437618 0.0 6 439.0 citric acid (Chimeric precursor selection) 440 85.0084585653075 3.2446647 0.0 11 441 173.04272780750472 3.252055 0.0 -1 441.0 Shikimic Acid 442 104.03172897467708 3.253031 0.0 -1 443 267.0708553497436 3.2667122 0.0 -1 444 104.03284689453022 3.273885 0.0 191 445 84.99582651037423 3.2751446 0.0 -1 446 104.02735832405791 3.2942896 0.0 -1 447 85.01184658200879 3.2967172 0.0 -1 448 84.9944519007373 3.310814 0.0 11 449 85.00585827153766 3.3110604 0.0 -1 450 103.01001768551431 3.3220196 0.0 33 451 104.029381340188 3.3226802 0.0 -1 452 103.01494086178508 3.3329682 0.0 -1 453 103.00582121800116 3.3433483 0.0 33 454 433.111614770302 3.3511364 0.0 56 454.0 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV 455 537.1216598150564 3.3534596 0.0 -1 456 103.00256830569325 3.3562016 0.0 33 457 104.03152682044256 3.3642063 0.0 -1 458 84.99751132203895 3.3683968 0.0 11 459 205.0339447701968 3.3845093 0.0 80 460 191.01789451871383 3.3845417 0.0 6 460.0 CITRIC ACID 461 142.0489534696797 3.3858726 0.0 17 462 351.12892482483056 3.3859856 0.0 49 463 175.06070949236135 3.386281 0.0 49 464 132.86524280832464 3.3863451 0.0 28 465 176.06220679700195 3.3865058 0.0 49 466 191.01862067853668 3.3866007 0.0 6 466.0 citric acid (Chimeric precursor selection) 467 221.06574352150645 3.3867652 0.0 -1 468 133.01193661296577 3.3873057 0.0 28 469 134.86302019083686 3.3881023 0.0 -1 470 104.00534500227984 3.3917134 0.0 -1 471 103.00563083704232 3.3946815 0.0 33 472 85.01186363329985 3.3955762 0.0 -1 473 103.00254942378024 3.3956077 0.0 33 474 251.09398629606275 3.3999734 0.0 143 475 310.9461726793857 3.4062624 0.0 92 476 103.01183142143452 3.416206 0.0 33 477 84.9999969307235 3.4308207 0.0 -1 478 104.02939535649998 3.4326427 0.0 85 479 84.9956640862499 3.435896 0.0 -1 480 103.00817693939176 3.4428647 0.0 33 481 295.0290356467599 3.4539857 0.0 -1 482 191.01803616981005 3.4551218 0.0 78 482.0 CITRIC ACID 483 226.99529491936136 3.4564047 0.0 32 484 219.01361238517995 3.4572823 0.0 32 485 254.0131324813133 3.4573712 0.0 -1 486 295.0312729682085 3.4575143 0.0 -1 487 129.01741576237384 3.4581282 0.0 -1 488 99.00659419976502 3.4583204 0.0 10 489 142.99667560723083 3.4583917 0.0 32 490 226.9959328632676 3.45868 0.0 32 491 111.00672205981432 3.4591606 0.0 -1 492 173.00698042392244 3.459502 0.0 32 492.0 DEHYDROASCORBIC ACID - 40.0 eV 493 85.0057927570551 3.4626198 0.0 -1 494 104.0271222894881 3.4723713 0.0 134 495 84.99398924582054 3.4736943 0.0 11 496 163.0236359426057 3.4753659 0.0 -1 497 104.02716879194908 3.4827464 0.0 -1 498 191.0173206480736 3.4840262 0.0 78 498.0 citric acid (Chimeric precursor selection) 499 104.03234888928726 3.4841642 0.0 -1 500 104.03113051271718 3.4842017 0.0 85 501 84.99759276479882 3.4986014 0.0 -1 502 85.0119417552271 3.5210235 0.0 -1 503 103.00561597052857 3.521285 0.0 33 504 295.02644797826133 3.5315237 0.0 -1 505 85.00599209083039 3.5461783 0.0 11 506 84.99592535816379 3.5462456 0.0 -1 507 261.08522736247795 3.5789475 0.0 74 508 84.99755599203048 3.5851107 0.0 -1 509 191.01748476482183 3.5925882 0.0 6 509.0 citric acid (Chimeric precursor selection) 510 104.02720807173992 3.6019526 0.0 -1 511 104.0282848395049 3.6112437 0.0 -1 512 104.03212900477176 3.615246 0.0 -1 513 84.99410855406627 3.6166704 0.0 117 514 103.0141922453234 3.621139 0.0 33 515 84.9960256768198 3.6268857 0.0 11 516 104.02932974090427 3.6297448 0.0 -1 517 84.99759291396913 3.6336389 0.0 -1 518 85.01171899499161 3.6390839 0.0 207 519 105.0207453560848 3.646294 0.0 -1 520 163.02348000364404 3.6509805 0.0 -1 521 103.0055917221944 3.6658056 0.0 33 522 84.99912047371514 3.671131 0.0 -1 523 104.02005368988 3.6923807 0.0 -1 524 104.03192931508988 3.7059178 0.0 134 525 435.1276932010922 3.7086394 0.0 -1 525.0 Coatlin A 526 85.00581862757478 3.7157412 0.0 11 527 104.02932150212662 3.7384038 0.0 134 528 104.02824343501165 3.747085 0.0 134 529 310.94590676397866 3.7513871 0.0 92 530 102.00838005377678 3.7523735 0.0 -1 531 84.99410911938067 3.754409 0.0 182 532 104.02718038225358 3.7616336 0.0 134 533 103.00559575117045 3.7687237 0.0 -1 534 85.01198036563267 3.769092 0.0 11 535 104.02950607033095 3.7760854 0.0 -1 536 84.99540148493108 3.777842 0.0 11 537 84.99739801095785 3.786572 0.0 182 538 84.99391711571077 3.8162873 0.0 -1 539 103.01235886302028 3.8180504 0.0 33 540 103.01528666814436 3.8182087 0.0 33 541 104.03189382672 3.8449178 0.0 -1 542 104.03247049972062 3.8463793 0.0 -1 543 104.02711674255929 3.8482382 0.0 -1 544 84.99758585109797 3.85918 0.0 -1 545 237.07872759144885 3.868201 0.0 81 546 84.99574009637949 3.8873556 0.0 11 547 85.00578489648807 3.8991187 0.0 -1 548 85.01199199417754 3.8991187 0.0 11 549 191.0178440392829 3.9007218 0.0 6 549.0 Citric acid 550 103.0053994703258 3.9030192 0.0 33 551 157.0120343124278 3.9103715 0.0 -1 552 125.0219140714254 3.9203768 0.0 -1 553 187.02275437792545 3.920778 0.0 122 554 187.02392007251484 3.9208777 0.0 122 555 223.06258321732204 3.9462998 0.0 81 556 84.99388385854778 3.947726 0.0 11 557 223.06400878806284 3.9486985 0.0 81 558 104.02947588697364 3.953721 0.0 -1 559 86.00557053073804 3.955956 0.0 31 560 103.0135871612251 3.9683666 0.0 1 561 85.01218560720869 3.9687433 0.0 -1 562 163.02369920321829 3.9810708 0.0 -1 563 104.02719648556882 3.9864697 0.0 -1 564 84.99626955308278 3.9967034 0.0 -1 565 84.99748002320969 4.0111313 0.0 -1 566 243.88139673607213 4.0124474 236506.395 87 567 84.99742884248845 4.012796 0.0 -1 568 146.9539861973004 4.016344 314674.965 87 569 85.01180585206194 4.0194464 0.0 71 570 104.02826858866842 4.027919 0.0 -1 571 104.0296448775533 4.039902 0.0 -1 572 104.0323593627922 4.0423384 0.0 -1 573 84.9939998936428 4.0587344 0.0 11 574 179.0549552891408 4.0688643 0.0 44 575 179.05372189813252 4.0726027 0.0 44 576 191.01733186876487 4.0931387 0.0 41 576.0 citric acid (Chimeric precursor selection) 577 85.0000693545419 4.0994763 0.0 11 578 85.00589009796829 4.121955 0.0 97 579 104.0271377360805 4.1336102 0.0 -1 580 84.99715785818569 4.1364384 0.0 11 581 104.02037901197816 4.1499295 0.0 -1 582 104.029460513331 4.1606073 0.0 46 583 163.02343443951958 4.1616926 0.0 -1 584 84.99431968459122 4.1675057 0.0 11 585 223.06376171874567 4.1715536 0.0 81 586 223.06249965273 4.176825 0.0 81 587 191.0174836620997 4.185591 0.0 41 587.0 citric acid (Chimeric precursor selection) 588 84.99546799391405 4.2153 0.0 -1 589 84.99749857826089 4.2251 0.0 11 590 85.0082680932525 4.2287707 0.0 97 591 104.03210622653216 4.2469606 0.0 46 592 84.99402509020467 4.2497163 0.0 11 593 104.0271974226709 4.2505665 0.0 -1 594 85.0119744225017 4.2549505 0.0 11 595 103.01322347623508 4.2803445 0.0 33 596 84.99421540215297 4.2823367 0.0 -1 597 84.99591818945126 4.2915745 0.0 -1 598 104.02953022620368 4.2932663 0.0 -1 599 103.00201488521004 4.303171 0.0 -1 600 169.97932916773567 4.3163624 0.0 93 601 133.01191738903563 4.3183103 0.0 28 602 313.11316627806343 4.3188167 0.0 -1 603 283.076843469216 4.3294425 0.0 -1 604 104.0324274521502 4.3300667 0.0 -1 605 84.99853104508722 4.334924 0.0 11 606 330.10392799682626 4.337024 0.0 -1 607 330.1023008100407 4.3409095 0.0 -1 608 209.04782101659384 4.3484063 0.0 143 609 191.0192411132749 4.35711 0.0 39 609.0 CITRIC ACID 610 191.01820568247217 4.3583913 0.0 39 610.0 CITRIC ACID 611 239.07540672399463 4.3584476 0.0 -1 612 205.0338504065085 4.360175 0.0 80 613 239.07648691733647 4.361418 0.0 -1 614 241.8993901546019 4.3637815 0.0 16 615 103.9184946878076 4.36389 0.0 -1 616 195.90523131609865 4.3641768 0.0 16 617 242.8974879726904 4.364235 0.0 16 618 239.90320919489147 4.3646274 0.0 16 619 245.8929145960432 4.364926 0.0 87 620 243.89887668832696 4.3656898 0.0 87 621 241.897467770648 4.365895 0.0 16 622 241.8981607144156 4.3659124 0.0 16 623 242.04982911042825 4.3660727 0.0 16 624 146.9640406716177 4.3666167 0.0 -1 625 85.99921464085189 4.3672175 0.0 -1 626 264.91329663684206 4.367532 0.0 16 627 240.9015058968704 4.367697 0.0 87 628 287.92927468770546 4.3679843 0.0 16 629 248.8918174609332 4.3682113 0.0 90 630 109.9975046654222 4.369758 0.0 -1 631 187.8583725270529 4.3709736 0.0 -1 632 214.8792921013637 4.374169 0.0 16 633 104.02736466612112 4.397397 0.0 -1 634 84.99442338281732 4.397712 0.0 -1 635 85.00589369739538 4.400732 0.0 -1 636 104.0320115452491 4.413241 0.0 -1 637 503.0811016961879 4.4149346 0.0 -1 638 84.99760089662357 4.4208446 0.0 11 639 310.94552316254965 4.429151 0.0 -1 640 157.03489194955245 4.4388366 0.0 -1 640.0 Allantoin - 40.0 eV 641 85.0120164697301 4.440416 0.0 -1 642 104.0292649433181 4.4647794 0.0 -1 643 104.02715600409849 4.476612 0.0 -1 644 242.0498632640453 4.4774127 0.0 -1 645 449.1067934845353 4.4785833 0.0 56 645.0 Hovetrichoside C 646 271.0075519920376 4.481435 0.0 -1 647 179.05356411424592 4.490404 0.0 14 647.0 PSICOSE 648 104.03204123870132 4.513925 0.0 -1 649 85.02628461419931 4.5186276 0.0 11 650 129.01797091255608 4.518994 0.0 33 651 111.00682618150437 4.5190277 0.0 -1 652 173.00869598760718 4.519135 0.0 -1 653 174.01005431298924 4.5193725 0.0 -1 654 85.00554453221821 4.5344553 0.0 -1 655 85.01180926416552 4.536319 0.0 -1 656 84.99418252335016 4.5531964 0.0 -1 657 84.99570738468896 4.5534463 0.0 -1 658 84.9977449937685 4.5603514 0.0 -1 659 191.0178543384617 4.5818186 0.0 41 659.0 CITRIC ACID 660 84.99756660562417 4.5822134 0.0 11 661 104.0272385483704 4.5896745 0.0 -1 662 104.03305346131908 4.5924973 0.0 -1 663 191.0189778678202 4.5926256 0.0 41 663.0 CITRIC ACID 664 104.02957483175398 4.636826 0.0 -1 665 167.018188133529 4.638225 0.0 -1 666 103.01310442256371 4.666589 0.0 33 667 84.99544578399534 4.6725636 0.0 -1 668 193.0713226734227 4.674242 0.0 4 668.0 Quebrachitol 669 84.9941618142013 4.674964 0.0 198 670 193.06977169462456 4.6782985 0.0 4 670.0 Quebrachitol 671 239.0765014295788 4.6791363 0.0 -1 672 239.0749044342861 4.6793094 0.0 -1 673 84.99345832593866 4.6854444 0.0 -1 674 105.020837814273 4.700368 0.0 -1 675 84.99548607518831 4.7134237 0.0 -1 676 84.99746919170138 4.7289567 0.0 11 677 104.02724277539164 4.730602 0.0 -1 678 104.03184569704264 4.738063 0.0 -1 679 85.0118940279921 4.7409496 0.0 -1 680 85.00000482389106 4.7581644 0.0 -1 681 104.03239491038656 4.7765937 0.0 -1 682 146.92417612630896 4.781822 0.0 -1 683 192.99601682320187 4.7888656 0.0 -1 684 103.015760645708 4.8178434 0.0 -1 685 104.02746242232828 4.829829 0.0 154 686 129.9602414475595 4.830132 0.0 256 687 632.7268685330639 4.8320537 0.0 161 688 212.92021954784423 4.8330283 0.0 -1 689 296.88274006606906 4.8333225 0.0 -1 690 380.8428528959145 4.8333216 0.0 161 691 464.8033961550538 4.8335156 0.0 161 692 548.763396709748 4.833903 0.0 -1 693 382.84098384770425 4.8345284 0.0 -1 694 128.9585240536355 4.8351154 0.0 -1 695 298.880489096321 4.8351297 0.0 -1 696 130.95540869005367 4.835234 0.0 -1 697 84.99416599030151 4.849158 0.0 -1 698 84.99752992121631 4.853714 0.0 -1 699 169.97923833152578 4.858038 0.0 -1 700 104.02957502473092 4.863334 0.0 -1 701 84.99528259656536 4.8802476 0.0 -1 702 104.03227178942996 4.882951 0.0 -1 703 103.0130231674978 4.911407 0.0 37 704 104.02708148028783 4.932807 0.0 26 705 163.02344117996037 4.938399 0.0 -1 706 181.0713764514425 4.9391494 54830.2775 14 706.0 Sorbitol 707 227.07640573898675 4.939678 0.0 14 707.0 D-Mannitol 708 182.07282098183887 4.9400764 0.0 14 709 181.05783919585363 4.9428477 28203104.0 14 709.0 Sorbitol 710 84.00140383395583 4.9441977 519428.65 96 711 244.0493158742147 4.9441977 1064784.85 90 712 266.0687126316799 4.9441977 2865401.85 90 713 280.9763123667283 4.9441977 373587.325 -1 714 371.1096397443055 4.9441977 207410.445 29 715 217.0320166367912 4.946787 3062580.15 -1 716 227.06015189422936 4.946787 2198637.7 14 716.0 D-Mannitol 717 295.0430447801598 4.946787 195175.415 -1 718 112.9758884456146 4.9468203 319805.78 120 719 181.0697048365451 4.9485135 0.0 14 719.0 Sorbitol 720 84.99755189979878 4.949329 0.0 -1 721 244.06583304052305 4.9496207 0.0 -1 722 217.0477849616296 4.950949 0.0 -1 723 85.00557451677984 4.961748 0.0 22 724 84.99996078660418 4.966966 0.0 -1 725 85.01186496142999 4.973523 0.0 -1 726 105.0208098169242 4.9862547 0.0 -1 727 104.03197146656836 4.989853 0.0 -1 728 102.0083198292098 5.004205 0.0 -1 729 104.02944566250348 5.036321 0.0 154 730 239.0766601627801 5.0469446 0.0 -1 731 239.0751285259389 5.047282 0.0 -1 732 84.99759157270357 5.0499406 0.0 11 733 103.01324466979496 5.0541687 0.0 -1 734 84.99421780151839 5.059364 0.0 -1 735 84.99579867659736 5.060053 0.0 -1 736 192.99633123143505 5.0635066 0.0 -1 737 134.88343671577564 5.079162 326387.455 155 738 146.96376190538376 5.0880876 0.0 -1 739 181.06954401329327 5.1065803 0.0 14 739.0 Mannitol 740 84.99570209284897 5.1075974 0.0 -1 741 181.07093111445863 5.1093216 0.0 14 741.0 MANNITOL 742 169.9793047102414 5.1196475 0.0 -1 743 84.9941658376494 5.1235766 0.0 -1 744 104.0273417450959 5.1291313 0.0 -1 745 104.02939705504266 5.142967 0.0 -1 746 84.99753069315923 5.154717 0.0 -1 747 192.9963962957229 5.1867046 0.0 -1 748 225.0595286612128 5.191798 0.0 14 748.0 alpha-D-glucose 749 192.9957251567305 5.1961913 0.0 -1 750 179.0536825037315 5.197734 0.0 14 750.0 Spectral Match to D-(+)-Mannose from NIST14 751 143.0334869102813 5.1992564 0.0 164 752 179.05495305938172 5.199595 0.0 14 752.0 Spectral Match to D-(+)-Mannose from NIST14 753 101.02230261279225 5.1996856 0.0 114 754 113.02229658527318 5.1999254 0.0 185 755 225.0607011021108 5.20009 0.0 14 755.0 L-Glucose 756 161.04317905233347 5.200499 0.0 60 757 89.02225284852071 5.2006693 0.0 53 758 103.0130436685114 5.2010875 0.0 -1 759 215.0315144640663 5.205778 0.0 -1 760 112.983768020396 5.2086363 0.0 185 761 104.02940845431814 5.2123947 0.0 26 762 187.0038440944664 5.2262535 0.0 -1 763 85.01184350282708 5.226578 0.0 -1 764 187.00463130797044 5.228655 0.0 -1 765 84.99403535841856 5.257817 0.0 11 766 194.8908747454581 5.289414 634753.3 -1 767 191.0178028270924 5.2917624 0.0 41 767.0 Citric acid 768 104.02751043142337 5.295721 0.0 -1 769 84.99726821730171 5.3001947 0.0 -1 770 84.99556756242238 5.314512 0.0 11 771 94.9819376592059 5.314576 200013.42 29 772 104.02911565056326 5.3148136 0.0 -1 773 85.00568796117034 5.316408 0.0 -1 774 104.0322681370798 5.3221936 0.0 -1 775 104.02771034895424 5.3248377 0.0 -1 776 302.96906426589027 5.3271084 172781.48 -1 777 192.9954802796761 5.333128 0.0 -1 778 103.01312399386936 5.3479176 0.0 -1 779 84.9937471131502 5.370532 0.0 -1 780 124.98885587521316 5.3820963 0.0 -1 781 84.9941086745181 5.384139 0.0 11 782 194.91237769407635 5.389484 577831.45 21 783 259.82043022528325 5.401426 368439.125 -1 784 191.01685559157696 5.411837 0.0 -1 784.0 CITRIC ACID 785 80.91525201349744 5.4163733 0.0 21 786 260.977461170973 5.417289 0.0 -1 787 258.9798217249164 5.4175696 0.0 -1 788 196.87024146955096 5.4178843 259481.44 -1 789 102.008225323509 5.424288 0.0 114 790 134.88341928239277 5.4359674 245972.645 155 791 179.86851214853272 5.4420214 157215.485 -1 792 84.99662140135882 5.449589 0.0 11 793 170.9777056895365 5.4551945 117865.05 -1 794 194.8909008046156 5.4559703 318836.41000000003 21 795 103.01304974216248 5.4639616 0.0 -1 796 84.99548140897195 5.4687176 0.0 11 797 84.99745963085415 5.477644 0.0 -1 798 134.89196009723855 5.478775 0.0 -1 799 96.95803992790306 5.479239 0.0 21 800 116.92635402124998 5.480098 0.0 -1 801 115.91864571659534 5.483983 0.0 86 802 84.99412535494896 5.4841123 0.0 -1 803 144.9213608660476 5.484358 0.0 -1 804 100.93186258432534 5.484549 0.0 114 805 191.01779492859444 5.4881225 0.0 -1 805.0 CITRATE 806 104.02946873472798 5.4936643 0.0 -1 807 251.0747922319043 5.5282216 0.0 14 808 133.01214047445987 5.5306973 0.0 28 809 116.91852872482386 5.531744 465153.35 -1 810 213.86363537456583 5.531744 184607.45 89 811 192.9969236456136 5.5342236 0.0 2 812 492.1815439763089 5.5462117 0.0 -1 813 85.00563060856308 5.565524 0.0 11 814 217.0288530958264 5.5807457 0.0 -1 815 215.03211538699068 5.580831 0.0 -1 816 85.01186208525857 5.582968 0.0 -1 817 101.0222881589787 5.583947 0.0 114 818 113.02233088231122 5.584475 0.0 185 819 225.0609959027533 5.5850377 0.0 14 819.0 alpha-D-glucose 820 179.0548139681287 5.5853524 0.0 14 820.0 GLUCOSE 821 161.04340294763549 5.5854425 0.0 60 822 143.03354191772883 5.5854735 0.0 164 823 89.02225797610573 5.5855155 0.0 53 824 179.05392327242285 5.590856 0.0 14 824.0 Spectral Match to D-(+)-Mannose from NIST14 825 104.02962986877594 5.5913 0.0 -1 826 84.99978630142188 5.625023 0.0 -1 827 192.99775246944697 5.6422906 0.0 -1 828 84.99747016352369 5.6612363 0.0 -1 829 211.00759362277824 5.685842 0.0 -1 830 192.99764755291463 5.709101 0.0 2 831 84.99995652266792 5.7268176 0.0 11 832 104.02952882644304 5.7523074 0.0 -1 833 104.02698015746776 5.754649 0.0 -1 834 104.03166455105634 5.760578 0.0 -1 835 211.00765306371133 5.7681484 0.0 -1 836 248.95879092215293 5.7697153 0.0 -1 837 84.99399276695277 5.773717 0.0 11 838 85.01180831346794 5.7967596 0.0 11 839 85.00594990522983 5.798265 0.0 -1 840 84.99544699749306 5.814261 0.0 -1 841 104.03208111935432 5.8237567 0.0 -1 842 84.9976363067377 5.829121 0.0 -1 843 359.1188038930501 5.8346567 0.0 14 844 313.11382426261645 5.8353047 0.0 14 845 104.02718211115425 5.8632593 0.0 -1 846 104.02952758004578 5.8769665 0.0 -1 847 112.98432440190312 5.877028 0.0 -1 848 248.9588763205145 5.877759 0.0 -1 849 180.97058140727745 5.878555 0.0 -1 850 316.9478803588236 5.8792048 0.0 -1 851 113.98663554424304 5.8797083 0.0 -1 852 112.9759726195729 5.8799486 4913626.5 120 853 85.999049762973 5.880229 0.0 31 854 103.01586860241105 5.880567 0.0 -1 855 384.9340525001007 5.8822293 0.0 -1 856 316.92488326795035 5.8837934 306279.545 51 857 248.9421494845492 5.886071 386309.98 51 858 452.92054431117526 5.886103 0.0 -1 859 152.98979541064128 5.8952813 0.0 -1 860 84.99560607464542 5.931697 0.0 67 861 84.99370802792421 5.935541 0.0 -1 862 85.01187755919183 5.946473 0.0 -1 863 84.99763828592174 5.9480705 0.0 96 864 84.99877961154283 5.9660463 0.0 67 865 85.00620167278949 5.969252 0.0 11 866 104.0270504389218 5.9717345 0.0 -1 867 104.0316824556544 5.9918056 0.0 -1 868 85.00309240132617 5.996674 0.0 -1 869 86.0055031970566 5.996674 0.0 31 870 103.01296375491582 6.010378 0.0 -1 871 84.99383461198651 6.0131035 0.0 11 872 104.0295483515658 6.0441146 0.0 -1 873 84.99755666089537 6.082329 0.0 11 874 211.00769778554368 6.0895457 0.0 -1 875 85.01186102135827 6.0905876 0.0 11 876 192.99766509760707 6.098662 0.0 2 877 85.0056223475753 6.104843 0.0 -1 878 104.02701689985317 6.1143317 0.0 -1 879 108.01839383520252 6.1228204 0.0 144 880 84.9999959699175 6.134451 0.0 11 881 104.02818995244596 6.1518073 0.0 -1 882 193.0052630138095 6.1539564 0.0 -1 883 103.01356812134318 6.18462 0.0 -1 884 118.04862959045973 6.192923 0.0 127 885 211.0077301344508 6.193351 0.0 -1 886 85.01178673868858 6.1990094 0.0 11 887 133.01223954993634 6.209539 0.0 28 888 192.99769788262068 6.214574 0.0 2 889 84.99410523071828 6.223234 0.0 -1 890 84.99754921954563 6.2256875 0.0 -1 891 84.99582502259696 6.236914 0.0 -1 892 255.820852811532 6.2572074 0.0 89 893 195.8108827192908 6.261725 0.0 5 894 197.8078080431933 6.2623773 0.0 5 895 199.8045056461592 6.2627416 0.0 5 896 201.8010203238805 6.2627983 0.0 5 897 153.86695529854737 6.273841 0.0 47 898 160.05981902610122 6.275045 0.0 5 899 321.0831718693861 6.2806077 0.0 -1 900 173.05474923344008 6.281665 0.0 48 901 134.89274229629376 6.282095 0.0 13 902 136.88985931061902 6.28766 0.0 -1 903 217.0292916481881 6.2894907 0.0 -1 904 209.0659719279656 6.2895637 0.0 4 904.0 Saccharic acid - 40.0 eV 905 134.01537943537735 6.290286 0.0 -1 906 179.05397338116327 6.2910423 0.0 4 907 215.0323371461334 6.2910476 0.0 -1 908 208.9340260357584 6.2911897 0.0 4 908.0 D-SACCHARIC ACID 909 96.9580422220605 6.2926784 0.0 21 910 84.99766075231956 6.292774 0.0 -1 911 92.92641458615005 6.293086 0.0 31 912 94.92326552526774 6.2942114 0.0 -1 913 96.96736550557308 6.294722 0.0 21 914 135.02775305566325 6.2951083 0.0 13 915 103.01609445654051 6.296527 0.0 -1 916 115.0016840395404 6.299541 0.0 -1 917 192.0212649103596 6.300956 0.0 168 918 133.01306791847563 6.3026986 0.0 28 918.0 D-malic acid CollisionEnergy:102040 919 146.04421853178695 6.3046875 0.0 74 919.0 2-acetamido-3-hydroxypropanoic acid CollisionEnergy:102040 920 166.83317615469974 6.305205 0.0 -1 921 191.0195437112565 6.305626 0.0 39 921.0 CITRIC ACID 922 116.03311679862512 6.305964 0.0 86 923 255.02597558459053 6.3062468 0.0 -1 924 104.03304119237082 6.3071613 0.0 127 925 111.00681722117967 6.3086348 0.0 -1 926 160.84138063197932 6.308845 0.0 -1 927 205.0344760186568 6.3089156 0.0 80 928 164.83542101339498 6.315058 0.0 47 929 162.83862985502108 6.320833 0.0 -1 930 355.0662019763452 6.3223367 0.0 4 930.0 Massbank:PR309201 Coumaroyl + C6H9O8 (isomer of 843, 844, 846) 931 172.84063645145196 6.3348722 0.0 -1 932 84.99397522705478 6.3388133 0.0 11 933 174.83762896934462 6.34014 0.0 -1 934 195.81851405845927 6.3460546 0.0 5 935 84.99590437782442 6.351014 0.0 -1 936 195.81097719200508 6.353814 0.0 5 937 197.80789691228904 6.353967 0.0 5 938 199.80470405309816 6.355117 0.0 5 939 201.8009382245747 6.355975 0.0 5 940 207.83579989043133 6.3600025 0.0 57 941 205.83865997505825 6.3608694 0.0 57 942 84.99779583176463 6.3793664 0.0 -1 943 259.8142192705119 6.3864484 0.0 -1 944 257.8178998344748 6.388151 0.0 89 945 255.8209837905769 6.3883095 0.0 89 946 217.02896707909025 6.433363 0.0 -1 947 215.0324040188165 6.4337606 0.0 -1 948 225.0606402634737 6.436662 0.0 -1 949 112.98388697556902 6.4457603 0.0 18 950 192.997578765745 6.454641 0.0 146 951 211.0075577284962 6.455135 0.0 96 952 84.99428970813001 6.485018 0.0 11 953 377.0866556058055 6.497692 0.0 -1 953.0 sucrose 954 133.01240626270015 6.5029035 0.0 28 955 115.00148154667542 6.50316 0.0 -1 956 102.00797915554176 6.503918 0.0 -1 957 475.1288999666608 6.50408 0.0 -1 958 103.0159526863379 6.5042706 0.0 -1 959 191.0180203061756 6.5042624 0.0 39 959.0 CITRIC ACID 960 387.11639517647376 6.504969 0.0 14 960.0 sucrose 961 341.10996962952163 6.5049787 0.0 14 961.0 SUCROSE 962 683.2251549778815 6.5053225 0.0 14 963 384.1159206888928 6.505535 0.0 14 964 404.1031726507607 6.5060706 0.0 -1 965 426.1233114639115 6.5061555 0.0 90 966 100.93146124032434 6.506649 0.0 114 967 427.12097404460775 6.5074606 0.0 -1 968 445.1292842321132 6.508909 0.0 -1 969 390.1227041770662 6.510258 0.0 -1 970 463.1185976994678 6.511314 0.0 -1 971 85.00558900674248 6.5133767 0.0 -1 972 455.100558132726 6.5145226 0.0 -1 973 85.99913477449861 6.5145597 0.0 -1 974 104.02719958206954 6.518761 0.0 -1 975 85.01174945866181 6.521599 0.0 -1 976 84.99568362642113 6.5313296 0.0 -1 977 85.00825590753634 6.534695 0.0 -1 978 86.00553010524281 6.534904 0.0 -1 979 104.02944942554672 6.547057 0.0 -1 980 199.02244199249927 6.5847235 1384344.25 29 981 84.9975631934062 6.5888157 0.0 73 982 103.01316106344358 6.5915384 0.0 -1 983 102.00809310206866 6.6121593 0.0 -1 984 85.00002096373869 6.616118 0.0 11 985 112.984026762022 6.6211233 0.0 99 986 192.99771703098511 6.6234255 0.0 2 987 104.0270821433268 6.6314197 0.0 -1 988 211.0076557161777 6.6334333 0.0 -1 989 85.00590042259886 6.6526675 0.0 -1 990 96.95798666682192 6.6666503 0.0 21 991 104.02943307136763 6.688781 0.0 -1 992 315.0817004972707 6.705976 0.0 219 993 315.08103495846296 6.706692 0.0 219 994 191.0189844746467 6.7068596 0.0 39 994.0 Citric acid 995 147.04734047349947 6.70743 0.0 -1 996 102.05401942058128 6.7083006 0.0 -1 997 146.04474443286776 6.7083473 0.0 -1 998 191.0179834442432 6.7087436 0.0 6 998.0 CITRIC ACID 999 128.03297927552754 6.7087893 0.0 -1 1000 133.01303190762764 6.710199 0.0 28 1000.0 D-malic acid CollisionEnergy:102040 1001 115.0015881960305 6.7113156 0.0 10 1002 145.06014896279018 6.716285 0.0 29 1002.0 Spectral Match to L-Glutamine from NIST14 1003 84.99742043482311 6.7254076 0.0 -1 1004 85.01208186636332 6.725496 0.0 -1 1005 84.9940815381404 6.736131 0.0 -1 1006 215.03236624704272 6.738469 0.0 -1 1007 217.02918109710475 6.7390375 0.0 -1 1008 225.06143908365803 6.742969 0.0 36 1009 179.05405114284991 6.7440133 0.0 4 1009.0 D-FRUCTOSE 1010 103.01301177297948 6.7627506 0.0 -1 1011 192.9975744499737 6.7720447 0.0 2 1012 211.0077264039853 6.7764754 0.0 -1 1013 104.02704683761156 6.7815 0.0 -1 1014 84.99960394743512 6.7861814 0.0 -1 1015 85.01187185063974 6.796756 0.0 -1 1016 133.01198069613852 6.8105445 0.0 28 1017 285.0812890730901 6.8159695 0.0 29 1018 131.04506337516807 6.8173146 0.0 29 1018.0 L-asparagine CollisionEnergy:102040 1019 191.01898234541585 6.8176737 0.0 39 1019.0 CITRIC ACID 1020 216.0229039609937 6.8178673 0.0 29 1021 191.0180431352269 6.8181524 0.0 39 1021.0 CITRIC ACID 1022 114.01759112300442 6.818175 0.0 -1 1023 113.03368941197226 6.818429 0.0 99 1024 131.0439447154188 6.8185186 0.0 29 1024.0 L-asparagine CollisionEnergy:102040 1025 115.00152615989003 6.8197675 0.0 -1 1026 132.04727019688326 6.821514 0.0 29 1027 133.012886810946 6.823799 0.0 28 1027.0 L-(?)-Malic acid - 40.0 eV 1028 193.0051095518537 6.8240356 0.0 -1 1029 84.99615494160305 6.8330073 0.0 -1 1030 199.03453863009565 6.839074 0.0 29 1031 199.0359201604034 6.8497324 0.0 29 1032 104.03205324902756 6.852774 0.0 121 1033 85.01171249346193 6.8643126 0.0 -1 1034 85.00574677063122 6.8675303 0.0 11 1035 103.01566251550082 6.870014 0.0 -1 1036 84.99742629511559 6.8750906 0.0 -1 1037 84.99996518575024 6.879944 0.0 11 1038 193.005091568252 6.913728 0.0 2 1039 192.997642291414 6.933869 0.0 -1 1040 211.0076040487722 6.9391513 0.0 -1 1041 387.1133478539941 6.952677 0.0 -1 1041.0 beta-Lactose - 40.0 eV 1042 356.1558065406597 6.9625325 0.0 -1 1043 104.02712703647458 6.971265 0.0 121 1044 84.99760104179944 6.975234 0.0 11 1045 84.99585579058338 6.980055 0.0 -1 1046 133.012552054383 7.001837 0.0 28 1046.0 D-malic acid CollisionEnergy:102040 1047 191.0180335956625 7.001873 0.0 -1 1047.0 CITRATE 1048 201.0877048677327 7.002729 0.0 45 1049 201.08656937451545 7.0035257 0.0 45 1050 103.01302107594836 7.005757 0.0 -1 1051 84.99465416149043 7.017583 0.0 201 1052 84.99365257300661 7.0210238 0.0 256 1053 85.00579351687017 7.029937 0.0 -1 1054 85.00824822357737 7.0303984 0.0 11 1055 104.02717790391677 7.071741 0.0 -1 1056 104.03133880754564 7.0859084 0.0 -1 1057 84.99974938536275 7.0945625 0.0 -1 1058 211.0076614831192 7.1223254 0.0 -1 1059 112.98407587656804 7.125111 0.0 99 1060 192.9977402665998 7.1313257 0.0 -1 1061 104.02941274829216 7.1403074 0.0 -1 1062 104.03172609779824 7.1447 0.0 -1 1063 193.00495824844805 7.149887 0.0 -1 1064 84.99999097239224 7.1977763 0.0 11 1065 269.0861163185082 7.2033706 0.0 14 1066 335.0593171886289 7.2289634 0.0 109 1067 267.0717082006582 7.2343187 0.0 109 1068 133.0120455180499 7.2344017 0.0 28 1069 191.01879801548407 7.2352834 0.0 39 1069.0 CITRIC ACID 1070 192.02103315112203 7.2353616 0.0 168 1071 205.03434206504977 7.236323 0.0 80 1072 175.0464944675854 7.2363577 0.0 12 1072.0 Allantoic acid - 40.0 eV 1073 443.1238278706899 7.2369533 0.0 -1 1074 133.0126406392382 7.236992 0.0 28 1075 351.10132717736224 7.2375326 0.0 12 1076 267.0707244983094 7.237551 0.0 109 1077 111.00677838221915 7.238194 0.0 -1 1078 115.0015052477573 7.2392397 0.0 -1 1079 132.0394561948143 7.240384 0.0 12 1080 89.03364342018055 7.2410765 0.0 -1 1081 175.04533707664783 7.2415366 0.0 12 1081.0 ALLANTOIC ACID 1082 84.99759067258744 7.2420316 0.0 -1 1083 85.01174034914482 7.2482796 0.0 -1 1084 84.99392750013352 7.255513 0.0 -1 1085 104.02712245689666 7.2619944 0.0 -1 1086 104.0295026905739 7.310631 0.0 -1 1087 211.00765209698068 7.31073 0.0 -1 1088 85.0058072751097 7.311083 0.0 -1 1089 192.9978344795916 7.3176703 0.0 2 1090 103.0129867179103 7.3441763 0.0 -1 1091 193.00473819125364 7.347539 0.0 -1 1092 85.0116779126275 7.3789024 0.0 -1 1093 132.02782570784814 7.3892665 0.0 -1 1094 133.0124710756967 7.413935 0.0 28 1095 214.04804924823063 7.416322 0.0 56 1096 85.00585121278496 7.4191933 0.0 -1 1097 195.049715803458 7.420206 0.0 4 1097.0 1726059 - 40.0 eV 1098 104.02721274608432 7.4253793 0.0 -1 1099 85.00003527306507 7.438958 0.0 201 1100 337.07789677825224 7.468971 0.0 -1 1100.0 129499-78-1 1101 104.0294669141929 7.4740543 0.0 -1 1102 245.02511037457376 7.4935513 468587.92 29 1103 192.9976799028488 7.5009046 0.0 -1 1104 84.99814570971444 7.5090227 0.0 11 1105 85.01167744238717 7.5108366 0.0 11 1106 103.01300646978557 7.523514 0.0 -1 1107 85.00566215939456 7.5575147 0.0 -1 1108 193.00478860581148 7.559828 0.0 2 1109 84.99998811431718 7.5757484 0.0 93 1110 211.0077322775472 7.6165624 0.0 -1 1111 192.99782151484268 7.651342 0.0 2 1112 84.99968259517271 7.678299 0.0 11 1113 85.0119236588161 7.678793 0.0 -1 1114 104.02717752000213 7.7211533 0.0 -1 1115 104.02950383159342 7.762735 0.0 -1 1116 85.00000601639186 7.78826 0.0 -1 1117 195.0493462225798 7.789085 0.0 4 1117.0 1726059 - 40.0 eV 1118 104.02718800610076 7.7891116 0.0 -1 1119 245.04302676526817 7.8004384 0.0 56 1120 133.01238178702874 7.807883 0.0 28 1121 245.04189425129567 7.8140826 0.0 56 1122 192.99769775910968 7.8143625 0.0 2 1123 102.00794774779408 7.815046 0.0 -1 1124 84.99762280702657 7.8229547 0.0 -1 1125 85.01191858160422 7.8474703 0.0 -1 1126 84.9938909390809 7.848501 0.0 -1 1127 193.00490751516097 7.85631 0.0 2 1128 85.00589348156039 7.9173226 0.0 -1 1129 192.997568112194 7.9237123 0.0 2 1130 84.99991514905427 7.932078 0.0 -1 1131 103.01298106115853 7.9572487 0.0 -1 1132 104.0293956891168 7.959035 0.0 -1 1133 85.01167122670476 7.965529 0.0 11 1134 211.00766262033665 7.9988685 0.0 96 1135 192.9977293956303 8.000625 0.0 2 1136 84.99995656814066 8.004472 0.0 -1 1137 134.86298404483355 8.0604105 0.0 -1 1138 132.8652732003455 8.061291 0.0 28 1139 104.0294312669024 8.097586 0.0 -1 1140 103.012968053408 8.159099 0.0 -1 1141 84.99737002535713 8.162031 0.0 -1 1142 245.0250937201669 8.164661 982477.92 29 1143 192.99776853912505 8.166341 0.0 2 1144 104.02950450468178 8.182876 0.0 -1 1145 84.9999263131734 8.194549 0.0 -1 1146 85.01180044229957 8.244954 0.0 -1 1147 84.99749809712839 8.287497 0.0 -1 1148 104.02945153707516 8.292259 0.0 -1 1149 85.00578172913107 8.310654 0.0 11 1150 103.01304106896474 8.316043 0.0 -1 1151 104.02717239773864 8.361549 0.0 -1 1152 133.0122908424399 8.377841 0.0 28 1153 195.0494239634194 8.3813925 0.0 4 1153.0 gluconic acid 1154 84.99996182444578 8.398682 0.0 -1 1155 104.02948009732768 8.463438 0.0 -1 1156 192.99766281485503 8.489155 0.0 -1 1157 85.00002493832643 8.523575 0.0 -1 1158 245.0418615189256 8.548738 0.0 29 1159 133.01209905686912 8.562823 0.0 28 1160 173.10173987244085 8.583877 0.0 -1 1161 84.99756952103692 8.5952835 0.0 -1 1162 193.0049783654872 8.622015 0.0 -1 1163 85.00564694966421 8.630519 0.0 -1 1164 85.0117885215312 8.637862 0.0 -1 1165 103.01294897160612 8.637862 0.0 -1 1166 192.9976506778789 8.655402 0.0 2 1167 85.00001871982587 8.6602745 0.0 -1 1168 211.00772605384068 8.664943 0.0 -1 1169 85.0000505966841 8.708038 0.0 -1 1170 84.99565692043431 8.746709 0.0 -1 1171 133.0123854668966 8.783785 0.0 28 1171.0 L-(?)-Malic acid - 40.0 eV 1172 103.0129700549315 8.827729 0.0 -1 1173 84.99985867278302 8.838307 0.0 -1 1174 193.00506127249503 8.866906 0.0 2 1175 84.99765159228849 8.942015 0.0 -1 1176 84.99561882768576 8.957899 0.0 -1 1177 133.01288931110244 8.957899 0.0 28 1178 84.99999398076532 8.973658 0.0 -1 1179 85.00566078884516 8.988759 0.0 -1 1180 193.00490522476204 8.994932 0.0 2 1181 84.99775357497535 8.995179 0.0 11 1182 103.01312088238576 9.037057 0.0 -1 1183 84.99551973363286 9.053698 0.0 94 1184 192.99782983567104 9.075919 0.0 -1 1185 193.00499565322173 9.095841 0.0 -1 1186 104.02945215300556 9.100589 0.0 -1 1187 211.00788093615623 9.140526 0.0 96 1188 85.00590824862778 9.14513 0.0 11 1189 103.01295128753502 9.14513 0.0 -1 1190 84.99996430821011 9.157661 0.0 -1 1191 84.99623868662239 9.184987 0.0 -1 1192 192.9977000888612 9.186234 0.0 2 1193 84.99777067742015 9.209629 0.0 -1 1194 104.02941171479316 9.2225065 0.0 -1 1195 193.0047396153737 9.258163 0.0 2 1196 84.99971112089122 9.265895 0.0 117 1197 85.00581663074166 9.297041 0.0 -1 1198 104.02947988429632 9.312121 0.0 -1 1199 192.9976863138289 9.3337 0.0 2 1200 84.99768485611897 9.360962 0.0 -1 1201 193.00493670383275 9.3744135 0.0 -1 1202 84.99998428159437 9.38626 0.0 -1 1203 192.99770962325613 9.428581 0.0 146 1204 211.00766108319 9.485837 0.0 -1 1205 169.9799353394695 9.487847 0.0 -1 1206 84.99996029970754 9.494523 0.0 -1 1207 193.0051568765268 9.51389 0.0 195 1208 84.99820602042612 9.5152645 0.0 11 1209 192.99774382270184 9.547809 0.0 195 1210 96.96093973491396 9.580456 35296.4025 21 1211 133.0121853439021 9.616036 0.0 -1 1212 84.99996547217734 9.62352 0.0 -1 1213 193.0052006590628 9.658603 0.0 2 1214 104.02944260551348 9.672882 0.0 -1 1215 104.02939529902984 9.700915 0.0 -1 1216 169.97978627425974 9.720897 0.0 -1 1217 192.9977881300076 9.7253895 0.0 146 1218 84.99999552467283 9.760493 0.0 96 1219 193.00547809351096 9.783005 0.0 2 1220 84.99732957210031 9.814279 0.0 -1 1221 205.03474202714355 9.845625 0.0 80 1222 191.01957623486413 9.848939 0.0 39 1222.0 CITRIC ACID 1223 333.05981569544736 9.849311 0.0 56 1224 133.01281300356257 9.859079 0.0 28 1225 192.02118758375752 9.86278 0.0 168 1226 84.9957255187117 9.863864 0.0 11 1227 111.00682745530796 9.865051 0.0 -1 1228 104.02708419251132 9.87672 0.0 -1 1229 85.00557983835792 9.889857 0.0 11 1230 84.99762432959304 9.931873 0.0 -1 1231 133.01274649847423 9.946368 0.0 28 1232 191.0268687167484 9.954715 0.0 39 1232.0 CITRIC ACID 1233 194.94495515837843 9.980871 0.0 -1 1234 96.9680158871284 9.9874 0.0 21 1235 133.01769729194376 10.006827 0.0 28 1235.0 D-malic acid CollisionEnergy:102040 1236 111.00680662528562 10.012509 0.0 -1 1237 192.0211223830688 10.0247555 0.0 168 1238 205.0344398437794 10.028018 0.0 80 1239 84.99750951940221 10.038232 0.0 -1 1240 104.0268431848184 10.038639 0.0 -1 1241 191.0192807363593 10.044088 0.0 39 1241.0 CITRIC ACID 1242 209.02931722269184 10.048381 0.0 4 1242.0 GALACTARIC ACID 1243 96.96775385942264 10.072021 0.0 21 1244 84.99768513059902 10.075164 0.0 -1 1245 84.99573129555434 10.079209 0.0 11 1246 111.00672333096546 10.083572 0.0 -1 1247 205.03393023525595 10.097935 0.0 80 1248 191.02756245589123 10.098237 0.0 39 1248.0 CITRIC ACID 1249 133.01251969668152 10.1052265 0.0 28 1250 84.99992723760785 10.140889 0.0 -1 1251 84.9948416074667 10.147513 0.0 -1 1252 191.026919886467 10.206744 0.0 39 1252.0 CITRIC ACID 1253 133.01295435856116 10.219761 0.0 28 1254 84.99752210662851 10.221112 0.0 -1 1255 191.02649819226508 10.232354 0.0 39 1255.0 CITRIC ACID 1256 191.02780541089857 10.258511 0.0 39 1256.0 CITRIC ACID 1257 85.0000003392911 10.276454 0.0 75 1258 104.02948476691716 10.278051 0.0 -1 1259 84.9974864446873 10.309872 0.0 11 1260 193.0056041490412 10.335545 0.0 2 1261 133.0126824302871 10.369247 0.0 28 1262 103.01296685948432 10.384846 0.0 -1 1263 84.99772906671897 10.415798 0.0 -1 1264 84.9997517886407 10.441458 0.0 11 1265 103.01277573465744 10.527652 0.0 -1 1266 192.9971504729343 10.534448 0.0 2 1267 84.99754827246677 10.563759 0.0 -1 1268 191.02739157173025 10.578787 0.0 39 1268.0 CITRIC ACID 1269 84.99997768886392 10.613267 0.0 -1 1270 84.99777112169394 10.631306 0.0 -1 1271 192.9973722172469 10.636892 0.0 -1 1272 169.97961205752986 10.703596 0.0 -1 1273 112.98411575909256 10.72752 0.0 18 1274 193.0058927851209 10.756558 0.0 2 1275 84.99998434255917 10.758322 0.0 11 1276 85.00002507247154 10.76087 0.0 -1 1277 96.9584850935349 10.772836 0.0 21 1278 192.9976864527168 10.794753 0.0 2 1279 191.0192062491525 10.807525 0.0 6 1279.0 Citric acid 1280 84.9977462410396 10.824109 0.0 -1 1281 112.98391229507978 10.82852 0.0 -1 1282 133.01235562829092 10.849402 0.0 28 1283 85.00000565353558 10.889623 0.0 -1 1284 192.99764285249563 10.896053 0.0 2 1285 103.01317080951058 10.911237 0.0 -1 1286 96.95850104212047 10.911674 0.0 21 1287 191.01828777392035 10.917848 0.0 6 1287.0 CITRIC ACID 1288 191.0193807400778 10.924061 0.0 6 1288.0 Citric acid 1289 169.97967989645207 10.939964 0.0 -1 1290 84.99543615003896 10.950349 0.0 234 1291 192.9960648213348 10.95072 0.0 -1 1292 84.99758803100208 10.96233 0.0 234 1293 85.00001340234458 10.971743 0.0 11 1294 158.9778102921241 10.98621 0.0 52 1295 114.9868123491334 10.986757 0.0 181 1296 159.97797505556449 10.987133 0.0 52 1297 111.98704876603352 10.98747 0.0 181 1298 155.97774473988724 10.987531 0.0 52 1299 386.9374429982775 10.988066 0.0 36 1300 272.9594304932351 10.988331 0.0 36 1301 269.95795356738745 10.988741 0.0 36 1302 130.98140845415932 10.990308 0.0 -1 1303 312.9649913509528 10.99112 0.0 -1 1304 289.948549293894 10.993488 0.0 36 1305 158.97694516665865 11.0571785 0.0 52 1306 84.99753994030777 11.076026 0.0 -1 1307 169.9798236815123 11.12169 0.0 94 1308 103.0127473358693 11.128575 0.0 -1 1309 84.99755601415455 11.152321 0.0 -1 1310 192.99753841644028 11.161377 0.0 2 1311 84.9999840370216 11.173993 0.0 -1 1312 193.00523559598625 11.177195 0.0 -1 1313 96.95848330667954 11.2565775 0.0 21 1314 84.99761909367858 11.278473 0.0 -1 1315 193.0053890453804 11.322409 0.0 -1 1316 85.00001917671766 11.335128 0.0 -1 1317 96.95850046090116 11.3736725 0.0 -1 1318 84.997589701271 11.408951 0.0 -1 1319 191.0180861589463 11.409723 0.0 6 1319.0 Citric acid 1320 84.99980717000602 11.469478 0.0 -1 1321 191.0179965244491 11.512101 0.0 -1 1321.0 CITRATE 1322 192.9976870574309 11.544554 0.0 -1 1323 191.0184133870254 11.573254 0.0 6 1323.0 Citric acid 1324 84.99747587887303 11.5899 0.0 -1 1325 85.00001555116896 11.605562 0.0 11 1326 191.0178106052317 11.64722 0.0 6 1326.0 citric acid (Chimeric precursor selection) 1327 192.99747069536 11.691959 0.0 -1 1328 104.02725513527236 11.712691 0.0 -1 1329 174.95563347837913 11.759483 0.0 52 1330 84.99997776952927 11.760391 0.0 11 1331 304.9140259409222 11.762474 0.0 -1 1332 84.99753590477381 11.766397 0.0 11 1333 174.96271780644037 11.84507 0.0 52 1334 193.00480551722248 11.854538 0.0 2 1335 84.99751403078383 11.918625 0.0 -1 1336 85.0000177982939 11.948685 0.0 11 nf_output/networking/merged_pairs.tsv0000644000000000000000000070067514652135347017216 0ustar rootrootCLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 1 77 13.032 0.000 0.9234 0.7986 1 1 686 -23.921 0.000 0.7927 0.6153 1 1 911 13.113 0.000 0.7617 0.5867 1 5 936 1.996 0.000 0.9090 0.7700 1 6 12 14.015 0.000 0.7186 0.7434 1 6 31 -1.968 0.000 0.7779 0.5817 1 6 77 13.032 0.000 0.9244 0.8050 1 6 120 13.032 0.000 0.9249 0.7493 1 6 138 17.017 0.000 0.8326 0.7322 1 6 221 21.033 0.000 0.9158 0.7340 1 6 669 21.045 0.000 0.8981 0.6298 1 6 765 21.045 0.000 0.9169 0.7660 1 6 800 -10.887 0.000 0.8378 0.5956 1 6 860 21.044 0.000 0.9023 0.6610 1 6 864 21.040 0.000 0.9023 0.6610 1 6 911 13.113 0.000 0.8108 0.8001 1 6 913 9.072 0.000 0.8349 0.6298 1 6 1243 9.072 0.000 0.7980 0.6298 1 6 1277 9.081 0.000 0.8754 0.6610 1 8 347 0.004 0.000 0.9915 0.8688 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312 -9.970 0.000 0.9207 0.7867 1 135 328 0.000 0.000 0.9603 0.7943 1 135 521 0.008 0.000 0.9377 0.7965 1 135 650 -26.004 0.000 0.9193 0.7890 1 135 854 -0.002 0.000 0.9379 0.7030 1 135 958 -0.002 0.000 0.9340 0.7705 1 135 1150 0.001 0.000 0.9489 0.7267 1 135 1182 0.001 0.000 0.9580 0.7951 1 136 669 -0.000 0.000 0.9889 0.7848 1 138 489 -53.974 0.000 0.7184 0.4487 1 138 534 4.010 0.000 0.8697 0.7640 1 138 757 0.000 0.000 0.8111 0.6141 1 138 823 0.000 0.000 0.7366 0.5694 1 138 922 -27.011 0.000 0.8905 0.6581 1 138 935 4.027 0.000 0.8722 0.7918 1 138 1059 -23.962 0.000 0.7508 0.6240 1 138 1138 -43.843 0.000 0.7786 0.5436 1 142 1091 -108.007 0.000 0.9776 0.7370 1 144 165 -0.002 0.000 1.0000 1.0000 1 145 174 0.000 0.000 0.8798 0.6590 1 145 246 -0.001 0.000 0.9080 0.7300 1 145 283 -0.001 0.000 0.9025 0.7232 1 145 319 -0.000 0.000 0.8963 0.7257 1 145 361 -0.001 0.000 0.8931 0.7098 1 145 393 -0.001 0.000 0.8944 0.7032 1 145 428 -0.000 0.000 0.9137 0.8090 1 145 475 0.000 0.000 0.9137 0.8100 1 145 529 0.001 0.000 0.9029 0.7233 1 145 628 23.017 0.000 0.7152 0.7309 1 145 639 0.001 0.000 0.8700 0.6984 1 147 289 -0.003 0.000 0.9944 0.9301 1 154 703 0.002 0.000 0.9598 0.8165 1 154 823 13.993 0.000 0.8430 0.6313 1 156 326 -0.015 0.000 0.9866 0.7798 1 156 347 0.003 0.000 0.9822 0.7920 1 156 369 0.000 0.000 0.9822 0.7920 1 156 440 -0.011 0.000 0.9810 0.7920 1 156 556 0.004 0.000 0.9811 0.8041 1 156 569 -0.014 0.000 0.9766 0.7768 1 156 638 -0.000 0.000 0.9842 0.7920 1 156 696 -45.958 0.000 0.8153 0.6719 1 156 765 0.003 0.000 0.9830 0.7920 1 156 813 -0.008 0.000 0.9797 0.7768 1 156 837 0.003 0.000 0.9822 0.7920 1 156 838 -0.014 0.000 0.9825 0.7751 1 156 865 -0.009 0.000 0.9834 0.7920 1 156 911 -7.929 0.000 0.7015 0.6131 1 156 913 -11.970 0.000 0.8174 0.6230 1 156 1034 -0.008 0.000 0.9855 0.7774 1 156 1210 -11.963 0.000 0.9076 0.6310 1 156 1217 -108.000 0.000 0.9645 0.7421 1 156 1243 -11.970 0.000 0.7636 0.5540 1 156 1264 -0.002 0.000 0.9814 0.7751 1 156 1312 -108.008 0.000 0.9549 0.6232 1 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42.048 0.000 0.8949 0.7246 1 323 1067 126.103 0.000 0.7020 0.5884 1 325 1183 0.010 0.000 0.9897 0.8863 1 328 452 -0.002 0.000 0.9360 0.9025 1 328 521 0.008 0.000 0.9866 0.8796 1 328 550 0.008 0.000 0.9840 0.8489 1 328 599 0.011 0.000 0.9659 0.6769 1 328 854 -0.003 0.000 0.9237 0.7030 1 328 958 -0.003 0.000 0.8929 0.8081 1 328 1022 -11.004 0.000 0.8119 0.5110 1 328 1078 -11.988 0.000 0.7434 0.5024 1 328 1090 0.000 0.000 0.9342 0.6463 1 329 345 9.968 0.000 0.8592 0.7418 1 329 432 9.970 0.000 0.9671 0.7497 1 329 450 9.974 0.000 0.9711 0.7497 1 329 453 9.978 0.000 0.9711 0.7497 1 329 456 9.981 0.000 0.9652 0.7497 1 329 473 9.981 0.000 0.9682 0.7497 1 329 539 9.971 0.000 0.9684 0.7497 1 329 560 9.970 0.000 0.9106 0.7497 1 329 595 9.971 0.000 0.9705 0.7497 1 329 666 9.971 0.000 0.9617 0.7497 1 329 760 -0.000 0.000 0.8625 0.6256 1 329 1078 -2.018 0.000 0.7213 0.4596 1 329 1090 9.971 0.000 0.9056 0.6851 1 329 1131 9.971 0.000 0.9194 0.7497 1 336 359 0.000 0.000 0.8696 0.6415 1 336 980 250.095 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719 820 2.015 0.000 0.7894 0.7118 1 719 823 92.047 0.000 0.7110 0.4253 1 719 824 2.016 0.000 0.7672 0.6822 1 719 844 -132.044 0.000 0.7935 0.6595 1 719 904 -27.996 0.000 0.7691 0.6550 1 719 961 -160.040 0.000 0.8496 0.7270 1 719 1009 2.016 0.000 0.7787 0.7009 1 719 1067 -86.002 0.000 0.7124 0.5821 1 719 1076 -86.001 0.000 0.7058 0.6081 1 728 753 0.986 0.000 0.7315 0.5492 1 728 789 0.000 0.000 0.7457 0.5523 1 728 804 1.076 0.000 0.7168 0.5523 1 728 817 0.986 0.000 0.7128 0.5523 1 732 800 -31.929 0.000 0.9152 0.7297 1 732 860 0.002 0.000 0.9822 0.8176 1 732 864 -0.001 0.000 0.9822 0.8176 1 732 882 -108.008 0.000 0.9661 0.7885 1 732 911 -7.929 0.000 0.7138 0.6195 1 732 1039 -108.000 0.000 0.9693 0.7958 1 732 1063 -108.007 0.000 0.9638 0.7574 1 732 1243 -11.970 0.000 0.7683 0.5666 1 732 1271 -108.000 0.000 0.9606 0.7075 1 732 1275 -0.002 0.000 0.9867 0.8223 1 732 1325 -0.002 0.000 0.9841 0.8223 1 732 1327 -108.000 0.000 0.9703 0.8105 1 732 1330 -0.002 0.000 0.9892 0.8223 1 736 811 -0.001 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739 741 -0.001 0.000 0.9599 0.8066 1 739 750 2.016 0.000 0.8371 0.6956 1 739 752 2.015 0.000 0.8117 0.6966 1 739 755 -43.991 0.000 0.7068 0.4607 1 739 757 92.047 0.000 0.7157 0.4196 1 739 807 -70.005 0.000 0.8409 0.6617 1 739 820 2.015 0.000 0.8069 0.7064 1 739 823 92.047 0.000 0.7098 0.4173 1 739 824 2.016 0.000 0.7933 0.6966 1 739 844 -132.044 0.000 0.7960 0.6418 1 739 904 -27.996 0.000 0.7526 0.6393 1 739 961 -160.040 0.000 0.8488 0.7264 1 739 1009 2.015 0.000 0.7951 0.7017 1 739 1065 -88.017 0.000 0.7133 0.4983 1 739 1067 -86.002 0.000 0.7320 0.7000 1 739 1076 -86.001 0.000 0.7297 0.6890 1 741 748 -43.989 0.000 0.7278 0.4611 1 741 750 2.017 0.000 0.8493 0.6846 1 741 752 2.016 0.000 0.8266 0.6876 1 741 755 -43.990 0.000 0.7425 0.4979 1 741 757 92.049 0.000 0.7029 0.3994 1 741 807 -70.004 0.000 0.8355 0.6475 1 741 819 -43.990 0.000 0.7211 0.4497 1 741 820 2.016 0.000 0.8209 0.6920 1 741 824 2.017 0.000 0.8079 0.6840 1 741 844 -132.043 0.000 0.8309 0.6602 1 741 904 -27.995 0.000 0.7592 0.6851 1 741 961 -160.039 0.000 0.8886 0.7854 1 741 1009 2.017 0.000 0.8050 0.7615 1 741 1065 -88.015 0.000 0.7284 0.4911 1 741 1067 -86.001 0.000 0.7356 0.7380 1 741 1076 -86.000 0.000 0.7308 0.6662 1 742 1192 -23.018 0.000 0.9763 0.7203 1 747 1063 -0.009 0.000 0.9692 0.6739 1 747 1108 -0.008 0.000 0.9693 0.6766 1 748 750 46.006 0.000 0.8225 0.5951 1 748 752 46.005 0.000 0.8571 0.6843 1 748 755 -0.001 0.000 0.8731 0.6270 1 748 819 -0.002 0.000 0.8694 0.6332 1 748 820 46.005 0.000 0.8468 0.6889 1 748 824 46.006 0.000 0.8475 0.6585 1 748 844 -88.054 0.000 0.7559 0.5302 1 748 961 -116.050 0.000 0.7871 0.5243 1 748 1065 -44.027 0.000 0.8265 0.5556 1 749 1108 -0.009 0.000 0.9776 0.7169 1 749 1129 -0.002 0.000 0.9804 0.7893 1 749 1149 107.990 0.000 0.9746 0.8203 1 749 1184 -0.002 0.000 0.9771 0.7003 1 749 1264 107.996 0.000 0.9764 0.8173 1 749 1274 -0.010 0.000 0.9778 0.7205 1 750 752 -0.001 0.000 0.9687 0.8631 1 750 755 -46.007 0.000 0.8978 0.7977 1 750 756 18.010 0.000 0.7080 0.6604 1 750 757 90.031 0.000 0.7294 0.5333 1 750 807 -72.021 0.000 0.7446 0.7469 1 750 819 -46.007 0.000 0.8640 0.6944 1 750 820 -0.001 0.000 0.9543 0.8040 1 750 821 18.010 0.000 0.7250 0.7232 1 750 823 90.031 0.000 0.7496 0.5142 1 750 824 -0.000 0.000 0.9564 0.8343 1 750 844 -134.060 0.000 0.7998 0.6497 1 750 961 -162.056 0.000 0.8616 0.6976 1 750 1065 -90.032 0.000 0.8164 0.6221 1 750 1097 -15.996 0.000 0.7392 0.6562 1 750 1153 -15.996 0.000 0.7271 0.6407 1 751 822 0.000 0.000 0.7829 0.6208 1 752 755 -46.006 0.000 0.9135 0.8078 1 752 756 18.012 0.000 0.7199 0.6943 1 752 757 90.033 0.000 0.7173 0.5549 1 752 819 -46.006 0.000 0.8857 0.7003 1 752 820 0.000 0.000 0.9747 0.8802 1 752 821 18.012 0.000 0.7443 0.7872 1 752 823 90.033 0.000 0.7395 0.5364 1 752 824 0.001 0.000 0.9775 0.8771 1 752 844 -134.059 0.000 0.7836 0.6497 1 752 961 -162.055 0.000 0.8435 0.7086 1 752 1065 -90.031 0.000 0.8267 0.6221 1 753 817 0.000 0.000 0.9581 0.7551 1 754 760 0.038 0.000 0.9274 0.7426 1 754 818 0.000 0.000 0.8843 0.6646 1 754 1010 10.009 0.000 0.7969 0.5807 1 754 1090 10.009 0.000 0.8224 0.5946 1 755 819 -0.000 0.000 0.8927 0.6860 1 755 820 46.006 0.000 0.8911 0.7584 1 755 824 46.007 0.000 0.8995 0.7831 1 755 843 -134.058 0.000 0.7028 0.6153 1 755 844 -88.053 0.000 0.7901 0.6218 1 755 961 -116.049 0.000 0.8152 0.5982 1 755 1065 -44.025 0.000 0.8542 0.6221 1 756 820 -18.012 0.000 0.7309 0.7159 1 756 821 -0.000 0.000 0.9368 0.7652 1 756 824 -18.011 0.000 0.7093 0.6533 1 757 758 -13.991 0.000 0.7249 0.7436 1 757 781 4.028 0.000 0.7727 0.5704 1 757 807 -162.052 0.000 0.8089 0.5619 1 757 820 -90.032 0.000 0.7157 0.5682 1 757 823 0.000 0.000 0.9139 0.7536 1 757 824 -90.032 0.000 0.7195 0.5623 1 757 860 4.027 0.000 0.7891 0.6889 1 757 864 4.023 0.000 0.7891 0.6889 1 757 901 -45.870 0.000 0.7702 0.5470 1 757 922 -27.011 0.000 0.7119 0.6045 1 757 961 -252.088 0.000 0.7135 0.4333 1 757 1050 -13.991 0.000 0.8097 0.7436 1 757 1090 -13.991 0.000 0.7685 0.6471 1 757 1130 4.022 0.000 0.7713 0.5704 1 757 1131 -13.991 0.000 0.7532 0.6889 1 757 1202 4.022 0.000 0.7801 0.5672 1 758 795 0.000 0.000 0.9506 0.7698 1 758 823 13.991 0.000 0.7561 0.6620 1 758 854 -0.003 0.000 0.9244 0.7111 1 758 870 0.000 0.000 0.9469 0.8053 1 758 884 -15.036 0.000 0.7652 0.5827 1 758 1022 -11.005 0.000 0.7947 0.5102 1 758 1050 0.000 0.000 0.9179 0.7824 1 758 1090 0.000 0.000 0.9244 0.6471 1 758 1131 0.000 0.000 0.9426 0.7536 1 758 1150 0.000 0.000 0.9439 0.7267 1 760 818 -0.038 0.000 0.8546 0.6646 1 760 1050 9.971 0.000 0.7791 0.5468 1 760 1090 9.971 0.000 0.8510 0.7042 1 760 1131 9.971 0.000 0.8108 0.5456 1 765 800 -31.932 0.000 0.9066 0.6955 1 765 837 0.000 0.000 0.9879 0.8657 1 765 842 -0.004 0.000 0.9802 0.7842 1 765 860 -0.002 0.000 0.9841 0.8058 1 765 864 -0.005 0.000 0.9841 0.8058 1 765 865 -0.012 0.000 0.9887 0.8735 1 765 911 -7.932 0.000 0.7280 0.7677 1 765 1039 -108.004 0.000 0.9682 0.7550 1 765 1181 -0.004 0.000 0.9880 0.8655 1 765 1325 -0.006 0.000 0.9841 0.8105 1 766 790 60.007 0.000 0.7143 0.4295 1 766 791 15.022 0.000 0.7239 0.6818 1 766 794 0.000 0.000 0.7208 0.8709 1 766 809 77.972 0.000 0.7317 0.4963 1 766 909 97.933 0.000 0.9029 0.5691 1 766 913 97.924 0.000 0.9022 0.5545 1 766 985 81.907 0.000 0.7556 0.6334 1 766 1023 81.857 0.000 0.7013 0.5247 1 766 1059 81.907 0.000 0.7355 0.5119 1 766 1210 97.930 0.000 0.8464 0.6182 1 766 1234 97.923 0.000 0.9194 0.5576 1 766 1243 97.923 0.000 0.9160 0.5420 1 766 1277 97.932 0.000 0.8709 0.5335 1 766 1286 97.932 0.000 0.8743 0.5579 1 766 1313 97.932 0.000 0.8541 0.5335 1 767 784 0.001 0.000 0.9346 0.7143 1 767 805 0.000 0.000 0.9467 0.7889 1 767 917 -1.003 0.000 0.8312 0.6940 1 767 921 -0.002 0.000 0.9289 0.6920 1 767 927 -14.017 0.000 0.7831 0.6914 1 767 959 -0.000 0.000 0.9375 0.7460 1 767 994 -0.001 0.000 0.9575 0.8178 1 767 998 -0.000 0.000 0.9359 0.7367 1 767 1019 -0.001 0.000 0.9489 0.7952 1 767 1021 -0.000 0.000 0.9362 0.7367 1 767 1047 -0.000 0.000 0.9423 0.7660 1 767 1069 -0.001 0.000 0.9499 0.8394 1 767 1070 -1.003 0.000 0.8253 0.6428 1 767 1071 -14.016 0.000 0.7751 0.6366 1 767 1221 -14.017 0.000 0.7912 0.6801 1 767 1222 -0.002 0.000 0.9320 0.7402 1 767 1225 -1.003 0.000 0.8280 0.6744 1 767 1232 -0.009 0.000 0.9421 0.7628 1 767 1237 -1.003 0.000 0.8279 0.6518 1 767 1238 -14.017 0.000 0.7967 0.6366 1 767 1241 -0.001 0.000 0.9325 0.7073 1 767 1247 -14.016 0.000 0.7487 0.6092 1 767 1248 -0.010 0.000 0.9365 0.7040 1 767 1252 -0.009 0.000 0.9445 0.7628 1 767 1255 -0.009 0.000 0.9410 0.7525 1 767 1256 -0.010 0.000 0.9380 0.7367 1 767 1268 -0.010 0.000 0.9363 0.7251 1 767 1279 -0.001 0.000 0.9423 0.7367 1 767 1287 -0.000 0.000 0.9395 0.7047 1 767 1288 -0.002 0.000 0.9462 0.7568 1 767 1319 -0.000 0.000 0.9339 0.7384 1 767 1321 -0.000 0.000 0.9370 0.7367 1 767 1323 -0.001 0.000 0.9412 0.7055 1 767 1326 0.000 0.000 0.9255 0.7073 1 770 838 -0.016 0.000 0.9903 0.8722 1 770 1091 -108.009 0.000 0.9722 0.7516 1 770 1199 -108.002 0.000 0.9695 0.7395 1 770 1322 -108.002 0.000 0.9681 0.6928 1 771 909 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0.7539 1 784 994 -0.002 0.000 0.9613 0.8069 1 784 998 -0.001 0.000 0.9548 0.7787 1 784 1019 -0.002 0.000 0.9610 0.8318 1 784 1021 -0.001 0.000 0.9471 0.7741 1 784 1047 -0.001 0.000 0.9403 0.7122 1 784 1069 -0.002 0.000 0.9541 0.7734 1 784 1070 -1.004 0.000 0.8064 0.5228 1 784 1071 -14.017 0.000 0.7983 0.7343 1 784 1221 -14.018 0.000 0.8038 0.7756 1 784 1222 -0.003 0.000 0.9517 0.7884 1 784 1225 -1.004 0.000 0.8109 0.6075 1 784 1232 -0.010 0.000 0.9572 0.8069 1 784 1237 -1.004 0.000 0.8225 0.6277 1 784 1238 -14.017 0.000 0.8099 0.7295 1 784 1241 -0.002 0.000 0.9530 0.7721 1 784 1247 -14.017 0.000 0.7586 0.6365 1 784 1248 -0.011 0.000 0.9564 0.7741 1 784 1252 -0.010 0.000 0.9565 0.8069 1 784 1255 -0.010 0.000 0.9539 0.7721 1 784 1256 -0.011 0.000 0.9558 0.7969 1 784 1268 -0.010 0.000 0.9532 0.7159 1 784 1279 -0.002 0.000 0.9480 0.7706 1 784 1287 -0.001 0.000 0.9598 0.7919 1 784 1288 -0.002 0.000 0.9539 0.7891 1 784 1319 -0.001 0.000 0.9463 0.7404 1 784 1321 -0.001 0.000 0.9495 0.7767 1 784 1323 -0.001 0.000 0.9515 0.7458 1 784 1326 -0.001 0.000 0.9323 0.7400 1 785 791 -98.953 0.000 0.8259 0.3798 1 785 809 -36.003 0.000 0.8717 0.5297 1 785 909 -16.043 0.000 0.8518 0.6278 1 785 913 -16.052 0.000 0.8407 0.5814 1 785 1210 -16.046 0.000 0.9345 0.5876 1 785 1234 -16.053 0.000 0.7381 0.5079 1 785 1286 -16.043 0.000 0.9022 0.5872 1 785 1330 -4.085 0.000 0.9740 0.8110 1 788 789 94.862 0.000 0.7455 0.4681 1 788 800 79.944 0.000 0.8031 0.5067 1 788 809 79.952 0.000 0.8200 0.5981 1 789 804 1.076 0.000 0.8656 0.6878 1 789 809 -14.910 0.000 0.7646 0.7269 1 789 817 0.986 0.000 0.8532 0.6523 1 790 791 -44.985 0.000 0.9192 0.6453 1 790 809 17.965 0.000 0.9365 0.7559 1 790 897 -18.984 0.000 0.9264 0.6972 1 790 901 -0.009 0.000 0.8905 0.5519 1 790 914 -0.144 0.000 0.8984 0.5564 1 791 800 62.942 0.000 0.8739 0.4898 1 791 809 62.950 0.000 0.9492 0.6789 1 791 897 26.001 0.000 0.8267 0.4463 1 791 901 44.976 0.000 0.8419 0.6226 1 791 902 42.979 0.000 0.8487 0.4843 1 791 909 82.910 0.000 0.7407 0.4236 1 791 913 82.901 0.000 0.7325 0.4230 1 791 928 15.033 0.000 0.8146 0.3796 1 791 996 77.814 0.000 0.7363 0.4729 1 791 1138 47.003 0.000 0.7070 0.3604 1 791 1210 82.908 0.000 0.8157 0.5363 1 791 1277 82.910 0.000 0.7756 0.3835 1 791 1286 82.910 0.000 0.7776 0.4607 1 791 1313 82.910 0.000 0.7797 0.3988 1 791 1325 94.868 0.000 0.7999 0.3770 1 791 1330 94.868 0.000 0.8052 0.3750 1 792 1332 -0.001 0.000 0.9889 0.8450 1 794 909 97.933 0.000 0.9182 0.6478 1 794 913 97.924 0.000 0.9134 0.6397 1 794 1210 97.930 0.000 0.9204 0.7067 1 794 1233 -0.054 0.000 0.7989 0.5271 1 794 1234 97.923 0.000 0.8837 0.6478 1 794 1243 97.923 0.000 0.8953 0.6019 1 794 1277 97.932 0.000 0.9169 0.6019 1 794 1286 97.932 0.000 0.9169 0.6375 1 794 1313 97.932 0.000 0.9067 0.6019 1 795 870 0.000 0.000 0.9362 0.7583 1 796 813 -0.010 0.000 0.9849 0.8377 1 796 860 -0.000 0.000 0.9824 0.8089 1 796 864 -0.003 0.000 0.9824 0.8089 1 796 952 0.001 0.000 0.9922 0.8393 1 796 1112 -0.004 0.000 0.9873 0.8366 1 796 1181 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1143 0.007 0.000 0.9907 0.8369 1 1127 1162 -0.000 0.000 0.9872 0.7646 1 1127 1166 0.007 0.000 0.9856 0.7528 1 1127 1174 -0.000 0.000 0.9916 0.8591 1 1127 1180 0.000 0.000 0.9891 0.8023 1 1127 1184 0.007 0.000 0.9843 0.7639 1 1127 1185 -0.000 0.000 0.9876 0.7831 1 1127 1192 0.007 0.000 0.9891 0.7915 1 1127 1195 0.000 0.000 0.9929 0.8591 1 1127 1199 0.007 0.000 0.9887 0.7958 1 1127 1201 0.000 0.000 0.9889 0.7993 1 1127 1207 -0.000 0.000 0.9903 0.8414 1 1127 1209 0.007 0.000 0.9897 0.8146 1 1127 1213 -0.000 0.000 0.9924 0.8591 1 1127 1219 -0.001 0.000 0.9928 0.8794 1 1127 1260 -0.001 0.000 0.9940 0.8859 1 1127 1266 0.008 0.000 0.9946 0.8859 1 1127 1271 0.007 0.000 0.9861 0.7491 1 1127 1274 -0.001 0.000 0.9912 0.8315 1 1127 1275 108.005 0.000 0.9744 0.8259 1 1127 1278 0.007 0.000 0.9903 0.8522 1 1127 1284 0.007 0.000 0.9914 0.8591 1 1127 1310 0.007 0.000 0.9888 0.7911 1 1127 1312 -0.000 0.000 0.9830 0.6799 1 1127 1315 -0.001 0.000 0.9889 0.8181 1 1127 1322 0.007 0.000 0.9874 0.7475 1 1127 1325 108.005 0.000 0.9721 0.8258 1 1127 1327 0.007 0.000 0.9864 0.8146 1 1127 1330 108.005 0.000 0.9791 0.8270 1 1127 1334 0.000 0.000 0.9910 0.8437 1 1129 1135 -0.000 0.000 0.9923 0.8797 1 1129 1143 -0.000 0.000 0.9931 0.8625 1 1129 1149 107.992 0.000 0.9750 0.8241 1 1129 1162 -0.007 0.000 0.9879 0.7646 1 1129 1166 -0.000 0.000 0.9863 0.7528 1 1129 1174 -0.007 0.000 0.9938 0.8846 1 1129 1180 -0.007 0.000 0.9913 0.8234 1 1129 1184 -0.000 0.000 0.9873 0.7878 1 1129 1185 -0.007 0.000 0.9881 0.7831 1 1129 1192 -0.000 0.000 0.9917 0.8171 1 1129 1195 -0.007 0.000 0.9936 0.8797 1 1129 1199 -0.000 0.000 0.9911 0.8191 1 1129 1201 -0.007 0.000 0.9905 0.8210 1 1129 1207 -0.008 0.000 0.9914 0.8645 1 1129 1209 -0.000 0.000 0.9907 0.8375 1 1129 1213 -0.008 0.000 0.9931 0.8797 1 1129 1219 -0.008 0.000 0.9934 0.8794 1 1129 1260 -0.008 0.000 0.9947 0.9067 1 1129 1264 107.998 0.000 0.9771 0.8232 1 1129 1266 0.000 0.000 0.9953 0.9067 1 1129 1271 0.000 0.000 0.9888 0.7747 1 1129 1274 -0.008 0.000 0.9935 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0.000 0.9896 0.8564 1 1135 1213 -0.008 0.000 0.9963 0.9296 1 1135 1219 -0.008 0.000 0.9914 0.8555 1 1135 1260 -0.008 0.000 0.9927 0.8846 1 1135 1266 0.001 0.000 0.9933 0.9062 1 1135 1271 0.000 0.000 0.9899 0.7758 1 1135 1274 -0.008 0.000 0.9901 0.8092 1 1135 1275 107.998 0.000 0.9732 0.8621 1 1135 1278 0.000 0.000 0.9939 0.8783 1 1135 1284 0.000 0.000 0.9917 0.8608 1 1135 1310 0.000 0.000 0.9928 0.8209 1 1135 1312 -0.008 0.000 0.9866 0.7019 1 1135 1315 -0.008 0.000 0.9905 0.8402 1 1135 1322 0.000 0.000 0.9877 0.7475 1 1135 1325 107.998 0.000 0.9712 0.8258 1 1135 1327 0.000 0.000 0.9867 0.8249 1 1135 1330 107.998 0.000 0.9787 0.8727 1 1135 1334 -0.007 0.000 0.9913 0.8437 1 1138 1152 -0.147 0.000 0.8228 0.7331 1 1138 1159 -0.147 0.000 0.8329 0.7384 1 1138 1171 -0.147 0.000 0.7440 0.7384 1 1138 1177 -0.148 0.000 0.7534 0.7264 1 1138 1211 -0.147 0.000 0.7769 0.7673 1 1138 1224 -0.148 0.000 0.7587 0.7057 1 1138 1231 -0.147 0.000 0.7429 0.7384 1 1138 1235 -0.152 0.000 0.7502 0.7384 1 1138 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0.000 0.9830 0.6989 1 1162 1213 -0.000 0.000 0.9901 0.7794 1 1162 1219 -0.000 0.000 0.9866 0.7646 1 1162 1226 108.009 0.000 0.9705 0.6784 1 1162 1260 -0.001 0.000 0.9881 0.7646 1 1162 1266 0.008 0.000 0.9895 0.7819 1 1162 1271 0.008 0.000 0.9836 0.7758 1 1162 1274 -0.001 0.000 0.9855 0.7646 1 1162 1275 108.005 0.000 0.9681 0.7037 1 1162 1278 0.007 0.000 0.9876 0.7794 1 1162 1284 0.007 0.000 0.9854 0.7416 1 1162 1310 0.008 0.000 0.9866 0.7794 1 1162 1312 -0.000 0.000 0.9803 0.7019 1 1162 1315 -0.000 0.000 0.9825 0.7105 1 1162 1322 0.007 0.000 0.9814 0.7416 1 1162 1325 108.005 0.000 0.9663 0.7037 1 1162 1327 0.008 0.000 0.9803 0.6989 1 1162 1330 108.005 0.000 0.9736 0.7105 1 1162 1334 0.000 0.000 0.9849 0.7416 1 1166 1174 -0.007 0.000 0.9856 0.7528 1 1166 1180 -0.007 0.000 0.9867 0.7849 1 1166 1184 -0.000 0.000 0.9769 0.7131 1 1166 1185 -0.007 0.000 0.9846 0.7581 1 1166 1192 0.000 0.000 0.9831 0.7528 1 1166 1195 -0.007 0.000 0.9885 0.7741 1 1166 1199 0.000 0.000 0.9860 0.7849 1 1166 1201 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1108 1278 2 0.9932 0.007 1111 1278 2 0.9923 0.000 1135 1278 2 0.9939 0.000 1180 1278 2 0.9922 0.007 1278 1284 2 0.9925 0.000 1122 1199 2 0.9907 0.000 888 1038 2 0.9896 -0.007 1038 1111 2 0.9928 0.007 1038 1135 2 0.9935 0.007 1038 1166 2 0.9894 0.007 876 986 2 0.9931 0.000 876 1011 2 0.9936 0.000 876 1089 2 0.9952 -0.000 876 1129 2 0.9935 0.000 876 1135 2 0.9931 0.000 1111 1122 2 0.9917 0.000 1122 1135 2 0.993 0.000 811 1219 2 0.9916 -0.009 1011 1219 2 0.9938 -0.008 1127 1219 2 0.9928 -0.001 811 1274 2 0.9919 -0.009 1108 1274 2 0.9918 -0.001 1129 1274 2 0.9935 -0.008 1111 1135 2 0.9957 0.000 1135 1180 2 0.993 -0.007 1011 1089 2 0.9944 -0.000 1089 1129 2 0.9958 0.000 1089 1284 2 0.9949 0.000 986 1011 2 0.9931 0.000 1111 1180 2 0.9917 -0.007 811 1129 2 0.9945 -0.001 1127 1129 2 0.9939 0.007 1129 1284 2 0.9953 0.000 811 1108 2 0.9915 -0.008 888 1111 2 0.9936 -0.000 830 1111 2 0.993 -0.000 811 1127 2 0.9918 -0.008 906 1009 4 0.7767 -0.000 906 1097 4 0.8114 -15.996 906 1117 4 0.7997 -15.995 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476 595 33 0.9921 -0.001 476 666 33 0.9866 -0.001 432 539 33 0.9894 0.001 450 539 33 0.993 -0.002 453 539 33 0.993 -0.007 480 539 33 0.9855 -0.004 539 595 33 0.9914 -0.001 539 666 33 0.9867 -0.001 432 453 33 0.9927 0.008 450 453 33 1.0 0.004 453 480 33 0.9892 -0.002 453 595 33 0.9961 -0.007 432 595 33 0.9904 0.000 450 595 33 0.9961 -0.003 480 595 33 0.9866 -0.005 432 450 33 0.9927 0.003 432 480 33 0.9857 0.005 432 503 33 0.9843 0.008 328 521 33 0.9866 0.008 480 666 33 0.9807 -0.005 480 503 33 0.987 0.003 450 480 33 0.9892 0.002 267 296 34 1.0 -0.018 80 103 35 1.0 -0.002 299 302 36 0.8534 0.997 299 1008 36 0.7689 -20.049 299 1300 36 0.8496 -67.947 1299 1300 36 0.8575 113.978 1300 1301 36 0.9737 3.001 1300 1304 36 0.7797 -16.989 1301 1304 36 0.7856 -19.990 154 703 37 0.9598 0.002 162 164 38 0.9919 -0.007 164 166 38 1.0 0.015 162 166 38 0.9919 0.008 921 1255 39 0.9853 -0.007 1019 1255 39 0.9837 -0.008 1069 1255 39 0.9867 -0.008 1222 1255 39 0.9871 -0.007 1232 1255 39 0.9929 0.000 1241 1255 39 0.9904 -0.007 1248 1255 39 0.9866 0.001 1252 1255 39 0.9938 0.000 1255 1256 39 0.9913 -0.001 1255 1268 39 0.9814 -0.001 921 1268 39 0.9771 -0.008 1222 1268 39 0.9772 -0.008 1241 1268 39 0.9782 -0.008 1248 1268 39 0.977 0.000 1256 1268 39 0.9824 0.000 921 1232 39 0.9854 -0.007 994 1232 39 0.9822 -0.008 1019 1232 39 0.9853 -0.008 1069 1232 39 0.9877 -0.008 1222 1232 39 0.9881 -0.007 1232 1241 39 0.9885 0.008 1232 1248 39 0.9875 -0.001 1232 1252 39 0.9946 0.000 1232 1256 39 0.9895 -0.001 609 1069 39 0.9857 0.000 994 1069 39 0.9841 0.000 1019 1069 39 0.9868 0.000 1069 1222 39 0.982 -0.001 1069 1241 39 0.9834 -0.001 1069 1248 39 0.9831 -0.009 1069 1252 39 0.9891 -0.008 1069 1256 39 0.9857 -0.009 609 610 39 0.9887 0.001 610 994 39 0.9825 -0.001 610 1019 39 0.9846 -0.001 921 1248 39 0.9794 -0.008 1019 1248 39 0.9845 -0.009 1222 1248 39 0.9844 -0.008 1241 1248 39 0.9889 -0.008 1248 1252 39 0.9887 0.001 1248 1256 39 0.991 -0.000 921 1241 39 0.9853 0.000 1222 1241 39 0.9861 0.000 1241 1252 39 0.9911 -0.008 1241 1256 39 0.9916 -0.008 609 994 39 0.9848 0.000 959 994 39 0.978 -0.001 994 1019 39 0.9878 0.000 994 1021 39 0.9776 0.001 994 1252 39 0.9826 -0.008 609 1019 39 0.9866 0.000 1019 1222 39 0.9842 -0.001 1019 1252 39 0.9866 -0.008 1019 1256 39 0.9868 -0.009 921 1222 39 0.9805 -0.000 921 1252 39 0.9865 -0.007 921 1256 39 0.9845 -0.008 1222 1252 39 0.988 -0.007 1252 1256 39 0.992 -0.001 1222 1256 39 0.9877 -0.008 576 659 41 0.9373 -0.001 587 767 41 0.9497 -0.000 663 767 41 0.9575 0.001 587 659 41 0.9577 -0.000 659 663 41 0.9668 -0.001 587 663 41 0.9699 -0.001 77 120 43 0.9863 -0.000 574 575 44 0.9736 0.001 1048 1049 45 0.9393 0.001 582 591 46 1.0 -0.003 897 928 47 0.9782 -10.968 337 422 48 0.7527 14.016 338 422 48 0.7901 14.017 422 900 48 0.7681 0.983 337 338 48 0.9585 -0.001 434 463 49 0.8712 -0.002 462 463 49 0.8913 176.068 463 465 49 0.9437 -1.001 434 462 49 0.9041 -176.070 434 465 49 0.8241 -1.003 856 857 51 0.9467 67.983 1294 1305 52 0.9723 0.001 1296 1305 52 0.9395 1.001 1298 1305 52 0.9702 -2.999 1294 1296 52 0.9278 -1.000 1296 1298 52 0.937 4.000 1298 1329 52 0.9562 -18.978 1329 1333 52 0.9865 -0.007 1298 1333 52 0.9534 -18.985 1294 1298 52 0.9628 3.000 757 823 53 0.9139 0.000 454 645 56 0.9197 -15.995 454 1223 56 0.7882 100.052 645 1223 56 0.7949 116.047 1119 1121 56 0.9777 0.001 1121 1223 56 0.8917 -88.018 1095 1119 56 0.845 -30.995 1095 1223 56 0.7354 -119.012 1119 1223 56 0.8614 -88.017 940 941 57 0.8744 1.997 756 821 60 0.9368 -0.000 237 351 65 0.9714 -0.000 316 351 65 0.9742 -0.000 351 383 65 0.9774 0.000 84 237 65 0.9454 0.000 157 237 65 0.9788 0.000 202 237 65 0.9735 0.000 237 287 65 0.976 -0.000 237 316 65 0.9639 0.000 237 383 65 0.9693 0.000 157 316 65 0.9752 0.000 316 383 65 0.9669 0.000 157 287 65 0.9803 0.000 157 202 65 0.9891 -0.000 259 383 65 0.9803 0.000 860 864 67 1.0 -0.003 86 158 70 0.9029 -0.000 111 569 71 0.987 -0.014 410 981 73 0.9783 0.014 415 981 73 0.9783 -0.003 410 415 73 1.0 0.018 507 919 74 0.7106 115.041 378 384 74 0.974 -0.001 380 384 74 0.823 334.081 381 384 74 0.8204 334.079 384 919 74 0.75 99.048 378 380 74 0.8306 -334.082 378 381 74 0.8284 -334.080 378 919 74 0.7393 99.047 380 381 74 0.9112 0.002 220 1257 75 0.9833 0.012 94 264 76 0.8483 -0.000 482 498 78 0.9617 0.001 459 612 80 0.8782 0.000 612 927 80 0.9125 -0.001 612 1071 80 0.9013 -0.000 612 1221 80 0.9249 -0.001 612 1238 80 0.9164 -0.000 612 1247 80 0.8886 0.000 459 927 80 0.9316 -0.001 927 1071 80 0.9517 0.000 927 1221 80 0.9682 -0.000 927 1238 80 0.963 0.000 927 1247 80 0.9237 0.001 459 1247 80 0.8972 0.000 1071 1247 80 0.9375 0.000 1221 1247 80 0.9481 0.001 1238 1247 80 0.9464 0.000 459 1071 80 0.9236 -0.000 459 1221 80 0.9407 -0.001 459 1238 80 0.9397 -0.000 1071 1221 80 0.9756 -0.000 1071 1238 80 0.9727 -0.000 1221 1238 80 0.9833 0.000 545 585 81 0.9608 14.015 555 585 81 0.9492 -0.001 557 585 81 0.9568 0.000 585 586 81 0.9648 0.001 545 555 81 0.9502 14.016 555 586 81 0.9498 0.000 545 586 81 0.9653 14.016 201 203 82 0.8885 43.990 201 204 82 0.9625 0.001 478 500 85 1.0 -0.002 801 922 86 0.9341 -0.114 138 922 86 0.8905 -27.011 620 627 87 0.7699 2.997 566 619 87 0.7727 -2.012 619 620 87 0.9544 1.994 566 620 87 0.7482 -0.018 568 620 87 0.7338 -96.945 810 944 89 0.8093 -43.954 892 944 89 0.8728 -1.997 944 945 89 0.8637 1.997 810 892 89 0.9192 -41.957 892 945 89 0.9791 -0.000 810 945 89 0.9147 -41.957 711 712 90 0.8623 -22.019 712 965 90 0.7479 -160.055 629 711 90 0.745 4.842 41 393 92 0.9209 -0.001 75 393 92 0.9131 -0.000 174 393 92 0.8976 -0.001 246 393 92 0.9441 0.000 283 393 92 0.9196 0.000 319 393 92 0.9373 -0.000 361 393 92 0.9507 0.000 393 428 92 0.9443 0.001 393 475 92 0.9167 0.001 393 529 92 0.9297 0.001 41 319 92 0.9214 -0.001 75 319 92 0.9142 0.000 174 319 92 0.908 -0.001 246 319 92 0.9397 0.001 283 319 92 0.9398 0.000 319 361 92 0.9254 -0.001 319 428 92 0.9545 0.000 319 475 92 0.9134 0.001 319 529 92 0.9224 0.001 41 529 92 0.9212 -0.000 75 529 92 0.9106 0.001 145 529 92 0.9029 0.001 246 529 92 0.9367 0.002 283 529 92 0.9333 0.001 361 529 92 0.9418 0.001 428 529 92 0.9392 0.001 475 529 92 0.9022 0.000 41 75 92 0.9277 -0.001 75 145 92 0.9021 0.000 75 246 92 0.9182 -0.001 75 283 92 0.9233 -0.000 75 361 92 0.9113 -0.001 75 428 92 0.9137 0.000 75 475 92 0.9142 0.001 41 246 92 0.9351 -0.002 145 246 92 0.908 -0.001 246 283 92 0.9452 0.000 246 361 92 0.934 0.000 246 428 92 0.9511 0.001 246 475 92 0.9201 0.001 41 283 92 0.9323 -0.001 174 283 92 0.9045 -0.001 283 361 92 0.929 -0.000 283 428 92 0.9303 0.001 283 475 92 0.9093 0.001 41 145 92 0.9062 -0.001 145 428 92 0.9137 -0.000 145 475 92 0.9137 0.000 41 475 92 0.9192 -0.000 361 475 92 0.9136 0.001 428 475 92 0.9276 0.000 41 428 92 0.9464 -0.001 174 428 92 0.9243 -0.000 361 428 92 0.9411 0.001 41 361 92 0.9259 -0.002 174 361 92 0.9007 -0.001 600 1109 93 0.9472 84.979 325 1183 94 0.9897 0.010 1183 1307 94 0.962 -84.984 863 1187 96 0.9155 -126.010 1134 1187 96 0.9332 -0.000 951 1134 96 0.9051 -0.000 863 1218 96 0.9801 -0.002 710 863 96 0.8925 -0.996 578 590 97 1.0 -0.002 985 1023 99 0.9063 -0.050 985 1059 99 0.8992 -0.000 1023 1059 99 0.9065 0.050 89 99 101 1.0 -0.012 21 22 107 0.927 28.031 22 26 107 0.9042 0.132 323 429 109 0.8949 42.048 429 1067 109 0.7935 84.055 1066 1076 109 0.8637 67.989 1067 1076 109 0.9671 0.001 1066 1067 109 0.8705 67.988 252 253 112 0.9747 -0.001 789 804 114 0.8656 1.076 804 817 114 0.9746 -0.090 804 966 114 0.9701 0.000 817 966 114 0.9652 0.091 753 817 114 0.9581 0.000 789 817 114 0.8532 0.986 311 513 117 0.9842 0.000 306 311 117 0.9874 0.004 311 1196 117 0.9896 -0.006 306 1196 117 0.9892 -0.002 301 333 118 1.0 0.002 718 852 120 0.9248 -0.000 1032 1043 121 0.8877 0.005 39 553 122 0.7258 0.060 320 553 122 0.728 244.095 387 553 122 0.7912 1.003 389 553 122 0.9659 0.002 553 554 122 0.9632 -0.001 320 554 122 0.7328 244.094 387 554 122 0.8063 1.002 389 554 122 0.9619 0.001 39 40 122 0.8766 -0.012 40 47 122 0.8102 14.027 40 51 122 0.9054 0.996 34 51 122 0.7858 56.059 34 64 122 0.7795 70.074 39 51 122 0.96 0.984 51 64 122 0.9451 14.015 51 389 122 0.7432 -0.925 39 47 122 0.8751 14.015 39 389 122 0.7411 0.059 47 64 122 0.916 0.984 387 389 122 0.8187 1.001 124 144 123 1.0 0.006 124 165 123 1.0 0.003 144 165 123 1.0 -0.002 884 924 127 0.8762 14.016 175 209 131 1.0 0.004 417 532 134 0.7473 0.000 494 532 134 0.8172 -0.000 524 532 134 0.8191 0.005 527 532 134 0.8172 0.002 528 532 134 0.8191 0.001 417 494 134 0.7842 0.000 417 524 134 0.7682 -0.005 417 527 134 0.7842 -0.002 417 528 134 0.7682 -0.001 494 527 134 1.0 -0.002 524 527 134 0.8612 0.003 527 528 134 0.8612 0.001 494 524 134 0.8612 -0.005 494 528 134 0.8612 -0.001 524 528 134 1.0 0.004 474 608 143 0.9595 42.046 343 879 144 0.8001 -0.000 950 1203 146 0.9875 -0.000 1203 1217 146 0.9901 -0.000 303 304 147 0.8477 -0.997 685 729 154 1.0 -0.002 737 790 155 0.9778 0.000 687 690 161 0.7989 251.884 690 691 161 0.9329 -83.961 751 822 164 0.7829 0.000 917 1070 168 0.9524 0.000 1070 1225 168 0.9627 -0.000 1070 1237 168 0.9652 -0.000 917 1225 168 0.9683 0.000 1225 1237 168 0.9813 0.000 917 1237 168 0.9723 0.000 1295 1297 181 0.8508 3.000 531 537 182 1.0 -0.003 754 760 185 0.9274 0.038 760 818 185 0.8546 -0.038 754 818 185 0.8843 0.000 436 444 191 1.0 -0.013 1207 1209 195 0.9921 0.008 136 669 198 0.9889 -0.000 1051 1099 201 0.9867 -0.005 397 1051 201 0.7805 15.044 10 405 203 0.9298 0.000 408 518 207 0.9906 -0.006 412 518 207 0.9906 -0.003 408 412 207 1.0 -0.003 219 420 211 0.8871 -58.004 992 993 219 0.9259 0.001 1290 1292 234 1.0 -0.002 686 1052 256 0.8679 44.967 nf_output/networking/network_singletons.graphml0000644000000000000000000306676214652135745021340 0ustar rootroot 2198637.7 227.0602 4.95 4.95 0 14 D-Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1" 0.0 248.8918 4.37 4.37 0 90 1064784.85 244.0493 4.94 4.94 0 90 0.0 84.9941 1.47 1.47 0 11 0.0 158.9769 11.06 11.06 0 52 0.0 84.9966 5.45 5.45 0 11 0.0 192.021 7.24 7.24 0 168 0.0 193.0051 6.91 6.91 0 2 0.0 96.958 6.29 6.29 0 21 0.0 85.0084 3.09 3.09 0 207 0.0 193.0049 7.86 7.86 0 2 0.0 103.0138 1.0 1.0 0 1 0.0 187.0239 3.92 3.92 0 122 0.0 85.0056 4.96 4.96 0 22 0.0 142.0491 1.85 1.85 0 82 0.0 199.8047 6.36 6.36 0 5 0.0 133.0131 6.3 6.3 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 85.0 11.76 11.76 0 11 0.0 310.9465 3.19 3.19 0 92 0.0 84.9985 4.33 4.33 0 11 0.0 191.0194 10.92 10.92 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 199.0359 6.85 6.85 0 29 0.0 163.024 2.35 2.35 0 65 0.0 104.0332 1.67 1.67 0 131 245972.645 134.8834 5.44 5.44 0 155 0.0 112.9838 5.21 5.21 0 185 0.0 251.094 3.4 3.4 0 143 0.0 112.984 6.62 6.62 0 99 339865.42 117.0096 1.62 1.62 0 38 0.0 85.0058 2.1 2.1 0 11 0.0 219.0136 3.46 3.46 0 32 0.0 191.0179 4.58 4.58 0 41 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 255.821 6.39 6.39 0 89 0.0 260.9105 0.42 0.42 0 203 0.0 133.0128 9.86 9.86 0 28 0.0 85.012 3.77 3.77 0 11 0.0 192.9976 7.92 7.92 0 2 0.0 191.0173 3.48 3.48 0 78 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 103.0056 3.67 3.67 0 33 0.0 133.013 10.22 10.22 0 28 0.0 104.0272 1.01 1.01 0 35 0.0 431.1833 0.61 0.61 0 107 0.0 84.994 4.06 4.06 0 11 0.0 431.3153 0.56 0.56 0 107 0.0 85.0 7.44 7.44 0 201 0.0 242.0498 4.37 4.37 0 16 0.0 191.0175 3.24 3.24 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 223.0638 4.17 4.17 0 81 0.0 208.934 6.29 6.29 0 4 D-SACCHARIC ACID [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 0.0 191.0179 3.38 3.38 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0142 3.62 3.62 0 33 0.0 195.0494 8.38 8.38 0 4 gluconic acid O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 0.0 104.0271 3.47 3.47 0 134 0.0 191.0269 9.95 9.95 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 319805.78 112.9759 4.95 4.95 0 120 0.0 80.9153 5.42 5.42 0 21 0.0 250.0705 2.17 2.17 0 112 0.0 188.0255 2.93 2.93 0 122 0.0 108.0184 6.12 6.12 0 144 236506.395 243.8814 4.01 4.01 0 87 0.0 163.0238 2.08 2.08 0 65 0.0 181.0709 5.11 5.11 0 14 MANNITOL C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 0.0 84.996 3.63 3.63 0 11 0.0 192.9972 10.53 10.53 0 2 200013.42 94.9819 5.31 5.31 0 29 0.0 193.0055 9.78 9.78 0 2 0.0 84.9941 2.49 2.49 0 117 0.0 85.0 10.76 10.76 0 11 0.0 103.0058 3.34 3.34 0 33 577831.45 194.9124 5.39 5.39 0 21 0.0 155.9777 10.99 10.99 0 52 0.0 96.9585 10.77 10.77 0 21 0.0 109.9975 1.04 1.04 0 70 0.0 205.0339 10.1 10.1 0 80 0.0 86.0055 6.0 6.0 0 31 0.0 351.1267 3.2 3.2 0 109 0.0 133.0127 9.95 9.95 0 28 0.0 92.9264 6.29 6.29 0 31 0.0 104.0294 5.21 5.21 0 26 0.0 142.9967 3.46 3.46 0 32 0.0 387.1164 6.5 6.5 0 14 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 191.0186 3.39 3.39 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 289.9485 10.99 10.99 0 36 0.0 209.0478 4.35 4.35 0 143 0.0 293.124 2.82 2.82 0 14 0.0 113.0223 5.2 5.2 0 185 0.0 84.9975 4.73 4.73 0 11 0.0 103.0025 3.4 3.4 0 33 0.0 133.0124 7.81 7.81 0 28 0.0 133.0124 10.85 10.85 0 28 0.0 133.0127 10.37 10.37 0 28 386309.98 248.9421 5.89 5.89 0 51 0.0 84.9975 2.37 2.37 0 11 1384344.25 199.0224 6.58 6.58 0 29 0.0 84.9939 0.86 0.86 0 11 0.0 245.0419 7.81 7.81 0 56 0.0 192.9977 7.81 7.81 0 2 0.0 104.0319 3.71 3.71 0 134 0.0 225.0614 6.74 6.74 0 36 0.0 103.0154 1.29 1.29 0 1 0.0 260.91 3.03 3.03 0 203 0.0 181.0695 5.11 5.11 0 14 Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 0.0 96.958 5.48 5.48 0 21 0.0 163.0241 1.85 1.85 0 65 0.0 135.0278 6.3 6.3 0 13 0.0 192.9977 9.19 9.19 0 2 0.0 108.0183 2.71 2.71 0 144 0.0 182.0728 4.94 4.94 0 14 0.0 426.1233 6.51 6.51 0 90 0.0 191.0175 3.03 3.03 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 132.8652 3.39 3.39 0 28 0.0 205.8387 6.36 6.36 0 57 0.0 193.0698 4.68 4.68 0 4 Quebrachitol COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 184607.45 213.8636 5.53 5.53 0 89 0.0 89.0223 5.59 5.59 0 53 0.0 141.0183 0.89 0.89 0 17 0.0 267.0652 2.32 2.32 0 30 0.0 187.0245 2.93 2.93 0 122 0.0 117.0248 1.61 1.61 0 38 0.0 104.0295 1.89 1.89 0 131 0.0 174.038 3.14 3.14 0 48 0.0 188.0545 2.69 2.69 0 48 N-Acetyl-DL-glutamic acid - 40.0 eV CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) 0.0 133.0129 8.96 8.96 0 28 0.0 133.0126 7.24 7.24 0 28 0.0 310.9475 2.14 2.14 0 92 0.0 133.0124 0.52 0.52 0 28 0.0 195.8185 6.35 6.35 0 5 0.0 179.0537 4.07 4.07 0 44 0.0 186.0383 1.85 1.85 0 82 0.0 84.9978 9.0 9.0 0 11 0.0 191.0182 4.36 4.36 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 133.0121 5.53 5.53 0 28 0.0 84.9976 6.59 6.59 0 73 0.0 103.0056 3.52 3.52 0 33 0.0 84.9938 1.67 1.67 0 11 0.0 433.1116 3.35 3.35 0 56 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV c1(ccc2c(c1)OCC(C2=O)(c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O InChI=1S/C21H22O10/c22-8-15-16(25)17(26)18(27)20(30-15)31-21(10-1-3-11(23)4-2-10)9-29-14-7-12(24)5-6-13(14)19(21)28/h1-7,15-18,20,22-27H,8-9H2/t15-,16-,17+,18-,20+,21?/m1/s1 0.0 84.9976 6.98 6.98 0 11 0.0 129.9602 4.83 4.83 0 256 0.0 84.9955 5.47 5.47 0 11 0.0 84.994 5.26 5.26 0 11 0.0 84.9941 3.11 3.11 0 73 0.0 133.0119 3.39 3.39 0 28 0.0 103.0156 1.64 1.64 0 1 0.0 191.0175 3.59 3.59 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 192.9977 8.0 8.0 0 2 0.0 175.0465 7.24 7.24 0 12 Allantoic acid - 40.0 eV C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) 0.0 241.8994 4.36 4.36 0 16 0.0 207.8358 6.36 6.36 0 57 0.0 85.0119 3.06 3.06 0 73 0.0 86.0056 3.96 3.96 0 31 0.0 310.9464 1.45 1.45 0 92 0.0 464.8034 4.83 4.83 0 161 0.0 104.0271 2.65 2.65 0 118 0.0 85.0118 4.02 4.02 0 71 0.0 85.0121 1.95 1.95 0 75 0.0 223.0626 3.95 3.95 0 81 0.0 85.0085 2.24 2.24 0 11 0.0 191.0278 10.26 10.26 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 306279.545 316.9249 5.88 5.88 0 51 0.0 257.8179 6.39 6.39 0 89 0.0 267.0649 0.64 0.64 0 30 0.0 225.061 5.59 5.59 0 14 alpha-D-glucose OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 0.0 141.0186 2.24 2.24 0 76 0.0 192.0213 6.3 6.3 0 168 0.0 84.9957 3.89 3.89 0 11 0.0 85.0056 9.89 9.89 0 11 0.0 191.0183 10.92 10.92 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 85.0 6.88 6.88 0 11 0.0 85.0059 2.6 2.6 0 94 0.0 239.9032 4.36 4.36 0 16 0.0 84.9975 11.77 11.77 0 11 0.0 197.8078 6.26 6.26 0 5 0.0 84.9937 7.02 7.02 0 256 0.0 84.9941 3.22 3.22 0 11 0.0 86.0056 2.7 2.7 0 31 0.0 193.0048 11.85 11.85 0 2 0.0 102.0082 5.42 5.42 0 114 0.0 193.0049 8.99 8.99 0 2 0.0 85.0084 2.15 2.15 0 11 0.0 103.0129 2.82 2.82 0 1 0.0 104.0295 1.15 1.15 0 35 0.0 191.019 4.59 4.59 0 41 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9942 2.25 2.25 0 34 0.0 104.0318 1.1 1.1 0 101 0.0 85.0058 8.31 8.31 0 11 0.0 199.0345 6.84 6.84 0 29 0.0 179.0539 5.59 5.59 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 103.0141 1.72 1.72 0 1 0.0 160.0598 6.28 6.28 0 5 0.0 87.0067 3.18 3.18 0 22 0.0 191.0184 11.57 11.57 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 313.0727 0.58 0.58 0 30 0.0 242.8975 4.36 4.36 0 16 0.0 187.095 0.76 0.76 0 122 azelaic acid O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) 0.0 163.0239 1.04 1.04 0 65 0.0 85.0 7.58 7.58 0 93 0.0 169.9798 11.12 11.12 0 94 0.0 85.0 10.97 10.97 0 11 0.0 133.0129 6.82 6.82 0 28 L-(?)-Malic acid - 40.0 eV C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 0.0 333.0598 9.85 9.85 0 56 0.0 84.9976 5.95 5.95 0 96 0.0 84.9954 10.95 10.95 0 234 0.0 191.0274 10.58 10.58 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0137 1.97 1.97 0 1 0.0 193.0048 7.56 7.56 0 2 0.0 192.9976 6.77 6.77 0 2 0.0 116.0331 6.31 6.31 0 86 0.0 351.1013 7.24 7.24 0 12 0.0 85.0 10.28 10.28 0 75 0.0 84.9962 2.29 2.29 0 11 0.0 179.054 6.29 6.29 0 4 0.0 192.9976 5.71 5.71 0 2 0.0 191.0276 10.1 10.1 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 209.066 6.29 6.29 0 4 Saccharic acid - 40.0 eV [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 320813.57 204.9988 2.45 2.45 0 147 0.0 103.0131 4.67 4.67 0 33 0.0 179.0536 4.49 4.49 0 14 PSICOSE C1[C@H]([C@H]([C@H](C(CO)(O)O1)O)O)O "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1" 0.0 191.0188 7.24 7.24 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9938 6.01 6.01 0 11 0.0 103.0136 3.97 3.97 0 1 28203104.0 181.0578 4.94 4.94 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 192.9978 7.32 7.32 0 2 0.0 84.9975 10.31 10.31 0 11 0.0 84.9976 0.97 0.97 0 11 0.0 85.0 5.73 5.73 0 11 0.0 85.0083 4.23 4.23 0 97 2865401.85 266.0687 4.94 4.94 0 90 0.0 179.0541 6.74 6.74 0 4 D-FRUCTOSE OCC(=O)[C@@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1 0.0 287.9293 4.37 4.37 0 16 0.0 226.9953 3.46 3.46 0 32 0.0 84.9974 2.88 2.88 0 11 0.0 113.0223 5.58 5.58 0 185 0.0 84.9947 7.02 7.02 0 201 0.0 85.0062 5.97 5.97 0 11 0.0 84.9974 1.06 1.06 0 11 0.0 104.0329 1.32 1.32 0 123 318836.41000000003 194.8909 5.46 5.46 0 21 0.0 84.994 5.77 5.77 0 11 0.0 133.012 6.81 6.81 0 28 0.0 133.0125 7.41 7.41 0 28 0.0 245.043 7.8 7.8 0 56 0.0 179.0548 5.59 5.59 0 14 GLUCOSE C([C@@H]1[C@H]([C@@H]([C@H](C(O)O1)O)O)O)O "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1" 0.0 191.0196 9.85 9.85 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9943 6.49 6.49 0 11 0.0 133.012 7.23 7.23 0 28 0.0 163.0238 2.51 2.51 0 65 0.0 104.0294 2.45 2.45 0 118 0.0 191.0178 3.9 3.9 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9943 4.17 4.17 0 11 0.0 315.0817 6.71 6.71 0 219 0.0 186.0394 1.85 1.85 0 82 246806.1 204.0021 2.45 2.45 0 147 0.0 84.996 2.39 2.39 0 11 0.0 267.0284 0.88 0.88 0 30 0.0 393.1749 2.58 2.58 0 109 0.0 191.018 6.71 6.71 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 274.0906 3.13 3.13 0 211 0.0 85.006 1.96 1.96 0 11 0.0 104.0272 3.76 3.76 0 134 0.0 104.0328 3.27 3.27 0 191 0.0 84.9976 4.58 4.58 0 11 0.0 93.0077 1.01 1.01 0 43 0.0 191.019 6.82 6.82 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 104.0282 3.75 3.75 0 134 0.0 141.0183 0.66 0.66 0 17 0.0 133.0123 8.38 8.38 0 28 272435.15 449.1177 2.83 2.83 0 29 0.0 191.0181 11.41 11.41 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 85.0117 7.97 7.97 0 11 0.0 227.0764 4.94 4.94 0 14 D-Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1" 0.0 255.8209 6.26 6.26 0 89 0.0 104.0311 3.48 3.48 0 85 0.0 158.9778 10.99 10.99 0 52 0.0 85.0085 3.24 3.24 0 11 0.0 191.018 6.82 6.82 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.01 3.32 3.32 0 33 314674.965 146.954 4.02 4.02 0 87 0.0 85.0001 4.1 4.1 0 11 0.0 103.0056 3.39 3.39 0 33 0.0 84.9975 1.19 1.19 0 71 0.0 683.2252 6.51 6.51 0 14 0.0 211.0079 9.14 9.14 0 96 0.0 269.958 10.99 10.99 0 36 0.0 237.0787 3.87 3.87 0 81 0.0 191.0178 11.65 11.65 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 84.9974 3.79 3.79 0 182 0.0 191.0195 6.31 6.31 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 279.0375 2.9 2.9 0 24 0.0 225.0607 5.2 5.2 0 14 L-Glucose O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1 0.0 355.0662 6.32 6.32 0 4 Massbank:PR309201 Coumaroyl + C6H9O8 (isomer of 843, 844, 846) O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=CC1=CC=C(O)C=C1 1S/C15H16O10/c16-8-4-1-7(2-5-8)3-6-9(17)25-13(15(23)24)11(19)10(18)12(20)14(21)22/h1-6,10-13,16,18-20H,(H,21,22)(H,23,24) 0.0 103.0151 1.53 1.53 0 37 0.0 131.0439 6.82 6.82 0 29 L-asparagine CollisionEnergy:102040 N=C(O)C[C@H](N)C(=O)O "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" 0.0 118.0486 6.19 6.19 0 127 0.0 192.9977 8.66 8.66 0 2 745809.7 172.0843 0.93 0.93 0 122 207410.445 371.1096 4.94 4.94 0 29 0.0 193.0059 10.76 10.76 0 2 0.0 163.0239 2.78 2.78 0 65 0.0 192.0212 9.86 9.86 0 168 0.0 84.9976 6.08 6.08 0 11 519428.65 84.0014 4.94 4.94 0 96 0.0 211.0077 8.0 8.0 0 96 0.0 84.9942 2.73 2.73 0 11 0.0 133.0119 4.32 4.32 0 28 0.0 192.0211 10.02 10.02 0 168 0.0 131.0451 6.82 6.82 0 29 L-asparagine CollisionEnergy:102040 N=C(O)C[C@H](N)C(=O)O "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" 0.0 133.0122 6.21 6.21 0 28 0.0 310.9472 2.99 2.99 0 92 0.0 341.11 6.5 6.5 0 14 SUCROSE OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" 0.0 219.013 1.1 1.1 0 32 0.0 84.9996 1.32 1.32 0 11 0.0 84.9936 1.12 1.12 0 11 0.0 96.9674 6.29 6.29 0 21 0.0 310.9457 0.77 0.77 0 92 0.0 169.9793 4.32 4.32 0 93 0.0 161.0432 5.2 5.2 0 60 0.0 153.867 6.27 6.27 0 47 0.0 85.0 6.13 6.13 0 11 0.0 117.0181 1.61 1.61 0 38 0.0 113.0337 6.82 6.82 0 99 0.0 133.0125 10.11 10.11 0 28 0.0 214.8793 4.37 4.37 0 16 0.0 84.9954 3.78 3.78 0 11 0.0 104.0321 6.85 6.85 0 121 388316.845 242.1583 0.67 0.67 0 122 0.0 104.0295 4.16 4.16 0 46 0.0 101.0223 5.58 5.58 0 114 0.0 85.0 7.2 7.2 0 11 0.0 103.0124 3.82 3.82 0 33 0.0 133.0126 7.0 7.0 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 84.9975 1.58 1.58 0 11 0.0 245.8929 4.36 4.36 0 87 0.0 172.0951 1.81 1.81 0 17 0.0 85.0117 3.64 3.64 0 207 0.0 191.0178 5.29 5.29 0 41 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 313.1138 5.84 5.84 0 14 0.0 112.9841 10.73 10.73 0 18 0.0 191.0265 10.23 10.23 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 333169.24 449.1177 2.68 2.68 0 29 0.0 84.9957 10.08 10.08 0 11 0.0 132.0473 6.82 6.82 0 29 0.0 191.0192 10.81 10.81 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 133.0177 10.01 10.01 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 216.0229 6.82 6.82 0 29 0.0 204.0157 2.45 2.45 0 36 0.0 104.0295 1.62 1.62 0 123 0.0 192.9977 9.55 9.55 0 195 0.0 84.9956 5.93 5.93 0 67 0.0 142.049 3.39 3.39 0 17 0.0 195.811 6.35 6.35 0 5 0.0 84.9997 7.68 7.68 0 11 0.0 84.9941 1.37 1.37 0 198 0.0 240.9015 4.37 4.37 0 87 0.0 84.9976 1.32 1.32 0 11 0.0 186.0385 3.01 3.01 0 17 0.0 205.0343 7.24 7.24 0 80 0.0 84.9941 5.38 5.38 0 11 0.0 164.8354 6.32 6.32 0 47 0.0 191.018 3.46 3.46 0 78 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 205.0344 10.03 10.03 0 80 0.0 209.0293 10.05 10.05 0 4 GALACTARIC ACID [C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-" 0.0 195.8109 6.26 6.26 0 5 0.0 85.0057 6.87 6.87 0 11 0.0 85.0263 4.52 4.52 0 11 0.0 192.9978 9.73 9.73 0 146 0.0 191.0173 4.09 4.09 0 41 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 103.0054 3.9 3.9 0 33 0.0 310.9459 3.75 3.75 0 92 0.0 161.0433 2.15 2.15 0 8 0.0 205.0339 3.38 3.38 0 80 0.0 192.9977 6.62 6.62 0 2 0.0 84.9976 0.97 0.97 0 11 0.0 84.9976 10.96 10.96 0 234 0.0 175.0589 3.22 3.22 0 49 0.0 96.9585 11.26 11.26 0 21 0.0 142.0498 3.01 3.01 0 17 0.0 85.0118 6.2 6.2 0 11 0.0 269.0861 7.2 7.2 0 14 0.0 104.0272 1.43 1.43 0 123 0.0 163.0238 2.22 2.22 0 65 982477.92 245.0251 8.16 8.16 0 29 0.0 163.0238 2.92 2.92 0 65 0.0 243.0611 2.9 2.9 0 24 uridine CollisionEnergy:102040 O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1" 0.0 188.0536 2.69 2.69 0 48 N-Acetyl-DL-glutamic acid - 40.0 eV CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) 0.0 104.033 6.31 6.31 0 127 0.0 85.0 11.95 11.95 0 11 0.0 174.9627 11.85 11.85 0 52 0.0 195.9052 4.36 4.36 0 16 0.0 243.8989 4.37 4.37 0 87 0.0 191.0177 2.91 2.91 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 192.9977 6.21 6.21 0 2 0.0 85.012 4.25 4.25 0 11 0.0 267.0707 7.24 7.24 0 109 0.0 351.1289 3.39 3.39 0 49 0.0 310.9461 1.67 1.67 0 92 0.0 85.0056 5.57 5.57 0 11 0.0 289.0666 2.9 2.9 0 24 3083-77-0 O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1 0.0 84.9998 10.44 10.44 0 11 0.0 159.978 10.99 10.99 0 52 0.0 310.9468 0.99 0.99 0 92 0.0 206.0808 2.15 2.15 0 17 N-Acetyl-DL-phenylalanine CC(=O)NC(Cc1ccccc1)C(=O)O "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)" 0.0 380.8429 4.83 4.83 0 161 0.0 192.9975 11.16 11.16 0 2 0.0 129.018 4.52 4.52 0 33 0.0 310.9472 2.34 2.34 0 92 0.0 201.801 6.26 6.26 0 5 0.0 264.9133 4.37 4.37 0 16 0.0 267.0717 7.23 7.23 0 109 0.0 84.9975 3.37 3.37 0 11 0.0 285.0813 6.82 6.82 0 29 0.0 245.0912 2.91 2.91 0 74 N-ACETYLTRYPTOPHAN CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1" 0.0 192.9977 9.33 9.33 0 2 0.0 245.0921 2.92 2.92 0 74 N-ACETYLTRYPTOPHAN C/C(=N/C(CC1=CNC2=C1C=CC=C2)C(=O)O)/O "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)" 0.0 175.0607 3.39 3.39 0 49 0.0 193.0052 9.66 9.66 0 2 0.0 96.968 9.99 9.99 0 21 0.0 104.0275 4.83 4.83 0 154 0.0 103.0135 3.21 3.21 0 33 0.0 85.0058 3.72 3.72 0 11 0.0 211.0076 6.46 6.46 0 96 0.0 579.1708 2.92 2.92 0 74 0.0 133.0124 8.78 8.78 0 28 L-(?)-Malic acid - 40.0 eV C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 0.0 99.0066 3.46 3.46 0 10 0.0 84.9941 3.75 3.75 0 182 0.0 84.9997 9.27 9.27 0 117 0.0 579.173 2.92 2.92 0 74 0.0 192.9977 9.43 9.43 0 146 0.0 193.0047 9.26 9.26 0 2 0.0 114.9868 10.99 10.99 0 181 0.0 632.7269 4.83 4.83 0 161 0.0 115.9186 5.48 5.48 0 86 0.0 84.9982 9.52 9.52 0 11 0.0 85.0119 6.09 6.09 0 11 0.0 192.9977 10.79 10.79 0 2 0.0 84.9945 3.31 3.31 0 11 0.0 84.9955 9.05 9.05 0 94 35296.4025 96.9609 9.58 9.58 0 21 0.0 175.0453 7.24 7.24 0 12 ALLANTOIC ACID C(C(=O)O)(NC(=N)O)NC(=N)O "InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)" 0.0 84.9941 1.9 1.9 0 11 0.0 205.0122 2.44 2.44 0 36 0.0 310.9474 2.84 2.84 0 92 0.0 112.9841 7.13 7.13 0 99 0.0 85.0056 3.03 3.03 0 207 0.0 261.0852 3.58 3.58 0 74 0.0 225.0595 5.19 5.19 0 14 alpha-D-glucose OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 0.0 85.0059 4.12 4.12 0 97 0.0 96.958 6.67 6.67 0 21 0.0 193.0051 8.87 8.87 0 2 0.0 197.8079 6.35 6.35 0 5 0.0 386.9374 10.99 10.99 0 36 0.0 103.0132 4.28 4.28 0 33 0.0 176.0622 3.39 3.39 0 49 0.0 85.006 3.55 3.55 0 11 0.0 141.0185 1.07 1.07 0 76 0.0 84.9976 4.42 4.42 0 11 0.0 201.0877 7.0 7.0 0 45 0.0 84.9976 5.05 5.05 0 11 0.0 179.0537 5.2 5.2 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 84.9957 9.86 9.86 0 11 0.0 310.9468 2.52 2.52 0 92 0.0 315.081 6.71 6.71 0 219 0.0 195.0497 7.42 7.42 0 4 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 191.0183 0.55 0.55 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 214.048 7.42 7.42 0 56 0.0 193.0056 10.34 10.34 0 2 0.0 223.064 3.95 3.95 0 81 0.0 163.024 1.59 1.59 0 65 0.0 143.0335 5.59 5.59 0 164 0.0 449.1068 4.48 4.48 0 56 Hovetrichoside C O=C1c2c(cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC1(O)Cc1ccc(O)cc1 InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21?/m1/s1 0.0 201.0866 7.0 7.0 0 45 0.0 85.012 2.84 2.84 0 11 0.0 173.007 3.46 3.46 0 32 DEHYDROASCORBIC ACID - 40.0 eV C(C(C1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2 0.0 103.0137 1.16 1.16 0 1 0.0 193.0052 9.51 9.51 0 195 0.0 161.0443 1.97 1.97 0 8 MEGLUTOL CollisionEnergy:205060 CC(O)(CC(=O)O)CC(=O)O "InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)" 0.0 85.0056 2.84 2.84 0 11 0.0 85.0117 7.51 7.51 0 11 0.0 85.0058 1.23 1.23 0 11 0.0 431.1181 2.57 2.57 0 122 Licoagroside B Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1 InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1 0.0 223.0625 4.18 4.18 0 81 0.0 191.019 6.71 6.71 0 39 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 100.0384 3.01 3.01 0 201 0.0 191.0192 4.36 4.36 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 109.9976 1.59 1.59 0 70 0.0 96.9678 10.07 10.07 0 21 0.0 173.0547 6.28 6.28 0 48 0.0 84.9939 3.95 3.95 0 11 0.0 191.0175 4.19 4.19 0 41 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 661325.62 187.0831 0.76 0.76 0 122 AZELAIC ACID O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) 0.0 85.0 9.76 9.76 0 96 0.0 241.8975 4.37 4.37 0 16 468587.92 245.0251 7.49 7.49 0 29 0.0 85.0059 9.15 9.15 0 11 0.0 241.8982 4.37 4.37 0 16 0.0 89.0225 1.39 1.39 0 86 0.0 84.9975 4.23 4.23 0 11 0.0 146.0442 6.3 6.3 0 74 2-acetamido-3-hydroxypropanoic acid CollisionEnergy:102040 CC(O)=NC(CO)C(=O)O "InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)" 0.0 226.9959 3.46 3.46 0 32 0.0 103.0118 3.42 3.42 0 33 0.0 84.9988 5.97 5.97 0 67 0.0 103.0155 2.29 2.29 0 1 0.0 84.994 6.34 6.34 0 11 0.0 219.0141 1.11 1.11 0 32 0.0 205.0339 4.36 4.36 0 80 0.0 192.9977 6.1 6.1 0 2 0.0 192.9978 7.65 7.65 0 2 0.0 179.055 5.2 5.2 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 104.0294 3.43 3.43 0 85 0.0 101.0223 5.2 5.2 0 114 0.0 84.9976 2.09 2.09 0 11 0.0 181.0697 4.95 4.95 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 459.3466 0.55 0.55 0 107 0.0 96.9585 10.91 10.91 0 21 0.0 201.8009 6.36 6.36 0 5 0.0 384.1159 6.51 6.51 0 14 1732545.3 186.0991 0.85 0.85 0 122 0.0 192.9978 8.17 8.17 0 2 0.0 133.0121 8.56 8.56 0 28 0.0 115.0016 6.71 6.71 0 10 0.0 335.0593 7.23 7.23 0 109 54830.2775 181.0714 4.94 4.94 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 85.012 3.9 3.9 0 11 0.0 205.0345 6.31 6.31 0 80 0.0 84.9977 0.39 0.39 0 11 0.0 191.0193 10.04 10.04 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 191.0269 10.21 10.21 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 199.8045 6.26 6.26 0 5 0.0 84.9941 3.62 3.62 0 117 0.0 174.9556 11.76 11.76 0 52 0.0 84.994 3.47 3.47 0 11 326387.455 134.8834 5.08 5.08 0 155 0.0 104.0271 6.97 6.97 0 121 0.0 359.1188 5.83 5.83 0 14 0.0 85.999 5.88 5.88 0 31 0.0 104.0201 1.05 1.05 0 101 0.0 100.9315 6.51 6.51 0 114 4913626.5 112.976 5.88 5.88 0 120 0.0 84.9972 4.14 4.14 0 11 0.0 297.077 0.59 0.59 0 30 0.0 191.018 6.5 6.5 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0026 3.36 3.36 0 33 267641.69 173.0683 0.81 0.81 0 122 0.0 104.0293 3.74 3.74 0 134 0.0 197.8073 0.15 0.15 0 5 0.0 85.012 2.61 2.61 0 11 0.0 112.9839 6.45 6.45 0 18 0.0 85.0 11.61 11.61 0 11 0.0 93.0078 1.28 1.28 0 43 0.0 84.9956 5.31 5.31 0 11 0.0 85.012 2.43 2.43 0 34 0.0 187.0228 3.92 3.92 0 122 0.0 104.0273 3.12 3.12 0 134 0.0 272.9594 10.99 10.99 0 36 0.0 103.0082 3.44 3.44 0 33 0.0 104.0271 4.93 4.93 0 26 0.0 85.0118 5.8 5.8 0 11 0.0 104.0294 5.04 5.04 0 154 0.0 161.0434 5.59 5.59 0 60 0.0 145.0601 6.72 6.72 0 29 Spectral Match to L-Glutamine from NIST14 nan nan 0.0 111.987 10.99 10.99 0 181 0.0 103.0133 2.63 2.63 0 33 0.0 250.0715 2.17 2.17 0 112 0.0 84.9977 2.46 2.46 0 117 0.0 192.9976 10.9 10.9 0 2 0.0 84.994 4.25 4.25 0 11 0.0 104.0321 4.25 4.25 0 46 0.0 134.8927 6.28 6.28 0 13 0.0 192.9969 5.53 5.53 0 2 0.0 85.0084 3.01 3.01 0 11 0.0 143.0523 3.01 3.01 0 17 0.0 245.0419 8.55 8.55 0 29 0.0 192.9976 6.45 6.45 0 146 0.0 143.0335 5.2 5.2 0 164 0.0 84.9981 7.51 7.51 0 11 0.0 103.013 4.91 4.91 0 37 0.0 205.0347 9.85 9.85 0 80 0.0 310.9462 3.41 3.41 0 92 0.0 132.0395 7.24 7.24 0 12 0.0 251.0748 5.53 5.53 0 14 0.0 132.8653 8.06 8.06 0 28 0.0 179.055 4.07 4.07 0 44 0.0 103.0153 3.82 3.82 0 33 0.0 193.0713 4.67 4.67 0 4 Quebrachitol COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 0.0 85.0 6.62 6.62 0 11 0.0 89.0223 5.2 5.2 0 53 0.0 195.0493 7.79 7.79 0 4 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 84.9942 4.67 4.67 0 198 0.0 104.02 3.23 3.23 0 191 0.0 133.0124 6.5 6.5 0 28 0.0 216.0865 1.94 1.94 0 211 0.0 85.0082 7.03 7.03 0 11 0.0 133.013 6.71 6.71 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 100.9319 5.48 5.48 0 114 0.0 86.0055 6.53 6.53 0 -1 0.0 102.0121 1.83 1.83 0 -1 0.0 84.9989 0.39 0.39 0 -1 0.0 102.0081 6.61 6.61 0 -1 0.0 104.0053 3.39 3.39 0 -1 0.0 129.0174 3.46 3.46 0 -1 0.0 192.9963 5.06 5.06 0 -1 0.0 84.9959 1.85 1.85 0 -1 0.0 147.0473 6.71 6.71 0 -1 0.0 104.0273 5.13 5.13 0 -1 0.0 84.9975 11.08 11.08 0 -1 0.0 85.0056 6.51 6.51 0 -1 0.0 84.9974 8.16 8.16 0 -1 0.0 96.9585 11.37 11.37 0 -1 0.0 373.0877 3.01 3.01 0 -1 0.0 104.0272 5.86 5.86 0 -1 0.0 84.999 0.46 0.46 0 -1 0.0 104.0272 1.9 1.9 0 -1 0.0 84.9942 4.55 4.55 0 -1 0.0 104.0201 1.26 1.26 0 -1 0.0 104.0317 7.14 7.14 0 -1 0.0 163.0235 3.65 3.65 0 -1 0.0 112.9839 10.83 10.83 0 -1 0.0 84.9997 7.09 7.09 0 -1 0.0 105.0208 3.13 3.13 0 -1 0.0 85.0059 5.8 5.8 0 -1 0.0 102.0116 1.61 1.61 0 -1 0.0 111.0068 4.52 4.52 0 -1 0.0 104.0313 7.09 7.09 0 -1 0.0 103.0155 2.17 2.17 0 -1 0.0 134.863 8.06 8.06 0 -1 0.0 84.9974 1.67 1.67 0 -1 0.0 84.9998 5.63 5.63 0 -1 0.0 84.9959 1.36 1.36 0 -1 0.0 217.0292 6.74 6.74 0 -1 0.0 104.0272 2.99 2.99 0 -1 0.0 104.0272 8.36 8.36 0 -1 0.0 104.0273 2.06 2.06 0 -1 0.0 104.032 4.51 4.51 0 -1 0.0 102.0116 2.11 2.11 0 -1 0.0 84.9998 11.47 11.47 0 -1 0.0 259.8142 6.39 6.39 0 -1 0.0 194.945 9.98 9.98 0 -1 0.0 105.0208 2.33 2.33 0 -1 0.0 104.0295 7.47 7.47 0 -1 0.0 84.9991 3.67 3.67 0 -1 0.0 312.965 10.99 10.99 0 -1 0.0 103.0129 8.64 8.64 0 -1 0.0 192.9974 10.64 10.64 0 -1 0.0 445.1293 6.51 6.51 0 -1 0.0 85.0117 6.86 6.86 0 -1 0.0 85.0119 4.74 4.74 0 -1 0.0 105.0208 3.21 3.21 0 -1 0.0 297.1179 3.07 3.07 0 -1 0.0 218.103 1.53 1.53 0 -1 PANTOTHENIC ACID CC(C)(CO)[C@H](/C(=N/CCC(=O)O)/O)O "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" 0.0 193.0049 9.37 9.37 0 -1 0.0 455.3542 0.54 0.54 0 -1 0.0 103.0158 4.82 4.82 0 -1 0.0 163.0238 0.91 0.91 0 -1 0.0 163.0236 3.48 3.48 0 -1 0.0 104.0296 1.67 1.67 0 -1 0.0 211.0077 6.63 6.63 0 -1 0.0 108.0072 0.66 0.66 0 -1 0.0 105.0208 4.7 4.7 0 -1 0.0 180.9706 5.88 5.88 0 -1 0.0 84.9953 4.88 4.88 0 -1 0.0 84.9942 4.85 4.85 0 -1 0.0 103.013 7.34 7.34 0 -1 0.0 84.9962 9.18 9.18 0 -1 0.0 104.0273 1.31 1.31 0 -1 0.0 104.0271 3.85 3.85 0 -1 0.0 162.8375 0.15 0.15 0 -1 0.0 104.0293 3.63 3.63 0 -1 0.0 104.0272 7.43 7.43 0 -1 0.0 84.9975 11.59 11.59 0 -1 0.0 85.0118 5.23 5.23 0 -1 0.0 85.0119 1.65 1.65 0 -1 0.0 85.0 8.66 8.66 0 -1 0.0 105.0208 1.33 1.33 0 -1 0.0 191.0178 5.49 5.49 0 -1 CITRATE C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 104.0295 7.31 7.31 0 -1 0.0 104.0316 0.98 0.98 0 -1 0.0 103.013 8.32 8.32 0 -1 0.0 104.0317 5.99 5.99 0 -1 0.0 85.0055 4.53 4.53 0 -1 0.0 443.1238 7.24 7.24 0 -1 0.0 84.9958 0.75 0.75 0 -1 0.0 105.0208 2.64 2.64 0 -1 0.0 321.0832 6.28 6.28 0 -1 0.0 84.9959 2.07 2.07 0 -1 0.0 84.9977 3.12 3.12 0 -1 0.0 115.0015 2.32 2.32 0 -1 0.0 104.0295 6.04 6.04 0 -1 0.0 85.0057 7.56 7.56 0 -1 0.0 84.9935 1.91 1.91 0 -1 0.0 104.0294 6.55 6.55 0 -1 0.0 85.0031 6.0 6.0 0 -1 0.0 85.0057 2.21 2.21 0 -1 0.0 104.0272 1.51 1.51 0 -1 0.0 104.0295 0.67 0.67 0 -1 0.0 104.0321 5.82 5.82 0 -1 0.0 134.0154 6.29 6.29 0 -1 0.0 304.914 11.76 11.76 0 -1 0.0 104.032 1.25 1.25 0 -1 0.0 237.0395 1.74 1.74 0 -1 0.0 102.0116 1.97 1.97 0 -1 0.0 102.0079 7.82 7.82 0 -1 0.0 104.0271 0.82 0.82 0 -1 0.0 211.0077 7.31 7.31 0 -1 0.0 84.9975 8.29 8.29 0 -1 0.0 84.9975 0.79 0.79 0 -1 0.0 104.0315 1.41 1.41 0 -1 0.0 271.0076 4.48 4.48 0 -1 0.0 312.0953 2.81 2.81 0 -1 0.0 104.0317 2.7 2.7 0 -1 0.0 85.0057 5.32 5.32 0 -1 0.0 104.0291 1.32 1.32 0 -1 0.0 217.0478 4.95 4.95 0 -1 0.0 104.0323 3.48 3.48 0 -1 0.0 295.0313 3.46 3.46 0 -1 0.0 104.0294 3.32 3.32 0 -1 0.0 103.0131 9.04 9.04 0 -1 0.0 104.0204 4.15 4.15 0 -1 0.0 104.0275 5.3 5.3 0 -1 0.0 104.0323 5.32 5.32 0 -1 0.0 163.0234 4.16 4.16 0 -1 0.0 89.0226 1.34 1.34 0 -1 0.0 84.9958 6.24 6.24 0 -1 0.0 84.9975 10.22 10.22 0 -1 0.0 125.022 2.93 2.93 0 -1 0.0 128.033 6.71 6.71 0 -1 0.0 84.9957 6.53 6.53 0 -1 0.0 192.9977 11.54 11.54 0 -1 0.0 191.018 7.0 7.0 0 -1 CITRATE C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 292090.885 105.0081 2.45 2.45 0 -1 0.0 104.0272 4.59 4.59 0 -1 0.0 104.0272 4.25 4.25 0 -1 0.0 84.9959 2.75 2.75 0 -1 0.0 193.005 8.62 8.62 0 -1 0.0 192.9977 7.13 7.13 0 -1 634753.3 194.8909 5.29 5.29 0 -1 0.0 211.0077 6.78 6.78 0 -1 0.0 104.0295 2.65 2.65 0 -1 0.0 84.9939 7.26 7.26 0 -1 0.0 133.0122 9.62 9.62 0 -1 0.0 105.0209 1.63 1.63 0 -1 0.0 85.012 0.95 0.95 0 -1 0.0 239.0765 4.68 4.68 0 -1 0.0 85.0 9.39 9.39 0 -1 0.0 104.0317 3.25 3.25 0 -1 0.0 306.0573 2.9 2.9 0 -1 0.0 85.0119 1.34 1.34 0 -1 259481.44 196.8702 5.42 5.42 0 -1 0.0 104.0272 7.07 7.07 0 -1 0.0 85.0 3.0 3.0 0 -1 0.0 104.0317 3.06 3.06 0 -1 0.0 104.0294 1.42 1.42 0 -1 0.0 192.9961 10.95 10.95 0 -1 0.0 102.008 6.5 6.5 0 -1 0.0 85.0059 6.65 6.65 0 -1 0.0 191.0169 5.41 5.41 0 -1 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 104.0295 5.88 5.88 0 -1 0.0 104.0268 10.04 10.04 0 -1 0.0 85.012 1.81 1.81 0 -1 0.0 104.0319 3.84 3.84 0 -1 0.0 375.1836 2.27 2.27 0 -1 0.0 85.0057 8.99 8.99 0 -1 0.0 104.027 6.78 6.78 0 -1 0.0 104.0188 2.86 2.86 0 -1 0.0 85.0119 3.4 3.4 0 -1 1416609.45 181.0576 2.51 2.51 0 -1 0.0 112.9837 2.63 2.63 0 -1 0.0 191.018 11.51 11.51 0 -1 CITRATE C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 103.0154 1.18 1.18 0 -1 0.0 106.0393 0.17 0.17 0 -1 0.0 104.0293 1.51 1.51 0 -1 0.0 104.0318 0.9 0.9 0 -1 0.0 84.9976 3.63 3.63 0 -1 0.0 104.0272 4.73 4.73 0 -1 0.0 85.0119 2.96 2.96 0 -1 0.0 121.0273 1.74 1.74 0 -1 0.0 103.0128 10.53 10.53 0 -1 0.0 115.0015 7.24 7.24 0 -1 0.0 84.9959 1.1 1.1 0 -1 0.0 85.9992 4.37 4.37 0 -1 0.0 169.9798 9.72 9.72 0 -1 0.0 85.0122 3.97 3.97 0 -1 0.0 84.9999 10.14 10.14 0 -1 0.0 103.013 5.2 5.2 0 -1 0.0 293.1759 0.57 0.57 0 -1 0.0 169.9793 5.12 5.12 0 -1 0.0 237.0385 1.73 1.73 0 -1 0.0 194.1008 1.92 1.92 0 -1 0.0 85.0059 4.4 4.4 0 -1 0.0 84.9977 6.29 6.29 0 -1 0.0 84.9974 3.02 3.02 0 -1 0.0 104.0294 6.69 6.69 0 -1 0.0 163.024 1.35 1.35 0 -1 0.0 160.8414 6.31 6.31 0 -1 0.0 244.0658 4.95 4.95 0 -1 0.0 85.0056 8.63 8.63 0 -1 0.0 84.9975 2.01 2.01 0 -1 0.0 85.0059 3.14 3.14 0 -1 0.0 316.9479 5.88 5.88 0 -1 0.0 192.9976 6.93 6.93 0 -1 0.0 103.013 10.38 10.38 0 -1 0.0 84.9948 10.15 10.15 0 -1 0.0 191.0177 2.57 2.57 0 -1 0.0 103.013 9.15 9.15 0 -1 0.0 113.9866 5.88 5.88 0 -1 0.0 84.9976 0.64 0.64 0 -1 0.0 102.0082 2.24 2.24 0 -1 0.0 169.9797 10.94 10.94 0 -1 0.0 94.9233 6.29 6.29 0 -1 0.0 255.026 6.31 6.31 0 -1 0.0 84.9976 2.68 2.68 0 -1 0.0 103.0127 11.13 11.13 0 -1 0.0 163.0237 3.98 3.98 0 -1 0.0 104.0295 3.95 3.95 0 -1 0.0 85.0 10.76 10.76 0 -1 0.0 104.0325 3.85 3.85 0 -1 0.0 103.0132 10.91 10.91 0 -1 0.0 104.0295 7.76 7.76 0 -1 0.0 211.0077 6.09 6.09 0 -1 0.0 102.0144 1.37 1.37 0 -1 0.0 85.0058 3.46 3.46 0 -1 0.0 267.0709 3.27 3.27 0 -1 0.0 84.9999 7.93 7.93 0 -1 0.0 106.0396 0.07 0.07 0 -1 0.0 84.9989 2.88 2.88 0 -1 117865.05 170.9777 5.46 5.46 0 -1 0.0 85.0059 7.92 7.92 0 -1 0.0 103.0149 3.33 3.33 0 -1 0.0 287.0898 2.85 2.85 0 -1 0.0 104.0296 4.86 4.86 0 -1 0.0 104.0317 2.59 2.59 0 -1 0.0 231.0274 2.43 2.43 0 -1 0.0 85.0122 2.07 2.07 0 -1 0.0 85.0058 7.03 7.03 0 -1 0.0 104.0318 2.24 2.24 0 -1 0.0 104.0274 4.4 4.4 0 -1 0.0 102.0126 0.87 0.87 0 -1 0.0 147.0281 2.84 2.84 0 -1 0.0 104.027 6.11 6.11 0 -1 0.0 128.9585 4.84 4.84 0 -1 264825.685 470.161 0.62 0.62 0 -1 0.0 157.0349 4.44 4.44 0 -1 Allantoin - 40.0 eV C1(C(=NC(=N1)O)O)NC(=N)O InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) 0.0 663.3739 2.7 2.7 0 -1 0.0 84.9977 10.08 10.08 0 -1 0.0 99.0067 0.89 0.89 0 -1 0.0 84.9943 1.02 1.02 0 -1 0.0 104.0295 5.49 5.49 0 -1 0.0 130.9814 10.99 10.99 0 -1 0.0 102.0147 1.16 1.16 0 -1 0.0 85.0 8.97 8.97 0 -1 0.0 105.0208 1.85 1.85 0 -1 3026182.9 431.153 0.62 0.62 0 -1 0.0 85.0117 7.25 7.25 0 -1 0.0 84.9974 6.73 6.73 0 -1 0.0 187.8584 4.37 4.37 0 -1 0.0 215.0315 5.21 5.21 0 -1 0.0 356.1558 6.96 6.96 0 -1 0.0 104.0321 3.62 3.62 0 -1 0.0 146.9242 4.78 4.78 0 -1 0.0 211.0077 7.12 7.12 0 -1 0.0 104.0318 2.35 2.35 0 -1 0.0 382.841 4.83 4.83 0 -1 0.0 200.9848 1.98 1.98 0 -1 0.0 85.0083 6.53 6.53 0 -1 0.0 85.0 10.61 10.61 0 -1 0.0 104.0295 0.94 0.94 0 -1 0.0 84.9963 1.81 1.81 0 -1 0.0 172.8406 6.33 6.33 0 -1 0.0 85.0119 3.52 3.52 0 -1 0.0 85.0059 7.42 7.42 0 -1 0.0 85.0083 2.85 2.85 0 -1 0.0 104.0317 5.76 5.76 0 -1 0.0 215.0324 6.74 6.74 0 -1 0.0 90.008 0.36 0.36 0 -1 0.0 102.0118 1.01 1.01 0 -1 0.0 211.0077 6.19 6.19 0 -1 0.0 130.0486 1.24 1.24 0 -1 0.0 104.0296 4.04 4.04 0 -1 0.0 84.9977 9.36 9.36 0 -1 0.0 239.0754 4.36 4.36 0 -1 0.0 104.0272 2.81 2.81 0 -1 0.0 104.0272 7.79 7.79 0 -1 0.0 200.0552 0.7 0.7 0 -1 0.0 104.0294 9.22 9.22 0 -1 0.0 104.0323 4.88 4.88 0 -1 0.0 128.0105 0.99 0.99 0 -1 0.0 102.0085 1.04 1.04 0 -1 0.0 84.9959 3.55 3.55 0 -1 0.0 104.0318 0.78 0.78 0 -1 0.0 84.9976 3.59 3.59 0 -1 0.0 103.013 7.96 7.96 0 -1 0.0 104.0271 2.35 2.35 0 -1 0.0 104.0294 7.96 7.96 0 -1 0.0 84.9976 9.93 9.93 0 -1 0.0 105.0208 4.99 4.99 0 -1 0.0 85.0119 5.95 5.95 0 -1 0.0 103.013 6.76 6.76 0 -1 0.0 85.0 9.62 9.62 0 -1 0.0 104.0324 4.33 4.33 0 -1 0.0 104.0317 1.6 1.6 0 -1 0.0 193.0054 11.32 11.32 0 -1 0.0 85.0 4.76 4.76 0 -1 0.0 173.0087 4.52 4.52 0 -1 0.0 103.013 5.46 5.46 0 -1 0.0 103.0152 2.51 2.51 0 -1 0.0 109.9976 2.31 2.31 0 -1 0.0 85.0119 3.22 3.22 0 -1 0.0 163.024 2.64 2.64 0 -1 0.0 104.0317 1.98 1.98 0 -1 0.0 102.0117 1.18 1.18 0 -1 195175.415 295.043 4.95 4.95 0 -1 0.0 104.0273 11.71 11.71 0 -1 0.0 103.0056 3.77 3.77 0 -1 0.0 84.9958 2.57 2.57 0 -1 0.0 84.9957 4.55 4.55 0 -1 0.0 84.9996 6.79 6.79 0 -1 0.0 84.9941 5.48 5.48 0 -1 0.0 104.0317 1.75 1.75 0 -1 0.0 85.0118 8.24 8.24 0 -1 0.0 103.0156 1.93 1.93 0 -1 0.0 295.029 3.45 3.45 0 -1 0.0 135.9689 2.48 2.48 0 -1 0.0 104.0296 4.64 4.64 0 -1 0.0 377.0867 6.5 6.5 0 -1 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 104.0317 2.81 2.81 0 -1 0.0 174.8376 6.34 6.34 0 -1 0.0 104.0168 1.54 1.54 0 -1 0.0 312.093 2.8 2.8 0 -1 0.0 103.013 6.01 6.01 0 -1 0.0 103.0133 3.02 3.02 0 -1 0.0 103.0136 6.18 6.18 0 -1 0.0 211.0077 9.49 9.49 0 -1 0.0 84.9944 4.4 4.4 0 -1 0.0 84.9937 5.37 5.37 0 -1 0.0 104.0295 8.46 8.46 0 -1 0.0 84.9975 4.01 4.01 0 -1 0.0 503.0811 4.41 4.41 0 -1 0.0 90.0078 1.01 1.01 0 -1 0.0 104.0295 4.29 4.29 0 -1 0.0 192.9964 5.19 5.19 0 -1 0.0 85.0117 7.38 7.38 0 -1 0.0 187.0038 5.23 5.23 0 -1 0.0 84.9963 4.0 4.0 0 -1 0.0 212.9202 4.83 4.83 0 -1 0.0 84.9971 1.16 1.16 0 -1 0.0 104.0294 2.06 2.06 0 -1 0.0 118.0203 1.61 1.61 0 -1 0.0 169.9792 4.86 4.86 0 -1 0.0 193.0051 6.82 6.82 0 -1 0.0 84.9976 7.82 7.82 0 -1 0.0 103.0132 5.05 5.05 0 -1 0.0 221.0657 3.39 3.39 0 -1 0.0 136.8899 6.29 6.29 0 -1 0.0 104.0293 4.46 4.46 0 -1 0.0 103.0153 2.71 2.71 0 -1 0.0 174.0101 4.52 4.52 0 -1 0.0 152.9898 5.9 5.9 0 -1 0.0 104.0327 1.8 1.8 0 -1 0.0 217.0293 6.29 6.29 0 -1 0.0 84.9957 8.75 8.75 0 -1 0.0 85.0121 6.73 6.73 0 -1 0.0 102.014 1.49 1.49 0 -1 0.0 89.0336 7.24 7.24 0 -1 0.0 102.0083 2.48 2.48 0 -1 0.0 111.0068 7.24 7.24 0 -1 0.0 85.0058 9.3 9.3 0 -1 0.0 111.0067 3.46 3.46 0 -1 0.0 103.015 1.05 1.05 0 -1 0.0 104.0295 10.28 10.28 0 -1 0.0 104.0271 5.97 5.97 0 -1 0.0 84.9937 5.94 5.94 0 -1 0.0 102.0083 5.0 5.0 0 -1 0.0 104.0316 2.9 2.9 0 -1 0.0 85.0 8.0 8.0 0 -1 0.0 103.0132 6.59 6.59 0 -1 0.0 85.0118 3.3 3.3 0 -1 0.0 248.9589 5.88 5.88 0 -1 0.0 105.0151 2.45 2.45 0 -1 0.0 115.0017 6.3 6.3 0 -1 0.0 103.0135 2.42 2.42 0 -1 0.0 85.0 9.49 9.49 0 -1 0.0 187.0046 5.23 5.23 0 -1 0.0 84.9974 6.88 6.88 0 -1 0.0 104.0283 2.37 2.37 0 -1 0.0 166.8332 6.31 6.31 0 -1 0.0 254.0131 3.46 3.46 0 -1 0.0 84.9974 2.18 2.18 0 -1 157215.485 179.8685 5.44 5.44 0 -1 0.0 111.0068 10.01 10.01 0 -1 0.0 104.0328 1.19 1.19 0 -1 0.0 84.9954 4.67 4.67 0 -1 0.0 84.997 0.45 0.45 0 -1 0.0 84.9976 2.8 2.8 0 -1 0.0 85.0 10.89 10.89 0 -1 0.0 211.0077 8.66 8.66 0 -1 0.0 85.0117 6.52 6.52 0 -1 0.0 84.9975 10.56 10.56 0 -1 0.0 103.0157 1.04 1.04 0 -1 0.0 85.012 2.23 2.23 0 -1 0.0 84.9978 10.63 10.63 0 -1 0.0 84.9962 6.83 6.83 0 -1 0.0 175.0222 2.22 2.22 0 -1 0.0 103.0157 6.87 6.87 0 -1 0.0 84.9974 0.7 0.7 0 -1 0.0 85.0061 3.24 3.24 0 -1 0.0 85.0 8.52 8.52 0 -1 0.0 163.0241 1.7 1.7 0 -1 0.0 84.9976 0.51 0.51 0 -1 0.0 194.1014 1.91 1.91 0 -1 0.0 104.0272 3.99 3.99 0 -1 0.0 84.9939 7.85 7.85 0 -1 0.0 84.9939 2.41 2.41 0 -1 0.0 90.0077 3.02 3.02 0 -1 0.0 103.0135 0.81 0.81 0 -1 0.0 192.9975 11.69 11.69 0 -1 0.0 103.0136 1.37 1.37 0 -1 0.0 84.9976 4.95 4.95 0 -1 0.0 310.9455 4.43 4.43 0 -1 0.0 130.0488 3.03 3.03 0 -1 0.0 104.0284 3.19 3.19 0 -1 0.0 427.121 6.51 6.51 0 -1 0.0 260.9775 5.42 5.42 0 -1 0.0 84.9973 1.93 1.93 0 -1 0.0 104.0334 2.1 2.1 0 -1 0.0 104.0282 6.15 6.15 0 -1 0.0 102.0123 1.05 1.05 0 -1 0.0 102.0117 2.41 2.41 0 -1 0.0 103.0158 0.78 0.78 0 -1 0.0 84.9955 4.71 4.71 0 -1 0.0 85.0058 7.31 7.31 0 -1 0.0 84.9941 1.78 1.78 0 -1 0.0 193.005 7.15 7.15 0 -1 0.0 85.0 9.16 9.16 0 -1 0.0 105.0265 1.06 1.06 0 -1 0.0 85.0056 6.1 6.1 0 -1 0.0 163.0239 1.19 1.19 0 -1 0.0 90.0079 0.49 0.49 0 -1 0.0 211.0077 5.77 5.77 0 -1 0.0 452.9205 5.89 5.89 0 -1 0.0 84.9977 10.82 10.82 0 -1 0.0 132.0278 7.39 7.39 0 -1 0.0 104.0279 0.97 0.97 0 -1 0.0 310.9456 0.92 0.92 0 -1 0.0 104.0294 3.2 3.2 0 -1 0.0 84.9975 1.89 1.89 0 -1 0.0 104.0277 5.32 5.32 0 -1 0.0 104.0295 3.78 3.78 0 -1 0.0 85.9991 6.51 6.51 0 -1 0.0 85.0001 1.94 1.94 0 -1 0.0 192.996 4.79 4.79 0 -1 0.0 104.0293 1.76 1.76 0 -1 0.0 84.9941 6.74 6.74 0 -1 0.0 85.0059 2.32 2.32 0 -1 0.0 85.0119 6.8 6.8 0 -1 0.0 104.0295 9.31 9.31 0 -1 0.0 297.1198 2.85 2.85 0 -1 0.0 84.9977 8.94 8.94 0 -1 0.0 85.0118 0.77 0.77 0 -1 0.0 104.0294 3.09 3.09 0 -1 0.0 475.1289 6.5 6.5 0 -1 0.0 193.0052 11.18 11.18 0 -1 0.0 104.0316 2.92 2.92 0 -1 0.0 104.032 4.41 4.41 0 -1 0.0 84.9975 5.48 5.48 0 -1 0.0 104.0201 3.69 3.69 0 -1 0.0 296.8827 4.83 4.83 0 -1 0.0 104.0271 2.44 2.44 0 -1 172781.48 302.9691 5.33 5.33 0 -1 0.0 85.0058 1.43 1.43 0 -1 0.0 109.9976 0.88 0.88 0 -1 0.0 84.9941 6.22 6.22 0 -1 0.0 111.0067 10.08 10.08 0 -1 0.0 165.0166 2.4 2.4 0 -1 0.0 130.9554 4.84 4.84 0 -1 0.0 85.0084 2.0 2.0 0 -1 0.0 85.0062 1.36 1.36 0 -1 0.0 84.9976 11.41 11.41 0 -1 0.0 102.0084 1.69 1.69 0 -1 0.0 103.0131 5.35 5.35 0 -1 0.0 173.1017 8.58 8.58 0 -1 0.0 104.0201 2.05 2.05 0 -1 0.0 112.9843 5.88 5.88 0 -1 0.0 330.1023 4.34 4.34 0 -1 0.0 337.0779 7.47 7.47 0 -1 129499-78-1 O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 0.0 105.0208 1.5 1.5 0 -1 0.0 105.0207 3.65 3.65 0 -1 0.0 85.0119 7.85 7.85 0 -1 0.0 104.0271 9.88 9.88 0 -1 0.0 103.0127 2.92 2.92 0 -1 0.0 84.9976 7.24 7.24 0 -1 0.0 104.0324 4.78 4.78 0 -1 0.0 104.0315 3.36 3.36 0 -1 0.0 85.0 3.43 3.43 0 -1 0.0 145.0485 0.97 0.97 0 -1 0.0 102.0118 3.17 3.17 0 -1 0.0 239.0749 4.68 4.68 0 -1 0.0 121.0275 0.66 0.66 0 -1 0.0 85.0118 4.54 4.54 0 -1 0.0 85.0058 3.9 3.9 0 -1 0.0 84.9939 2.92 2.92 0 -1 0.0 102.054 6.71 6.71 0 -1 0.0 103.002 4.3 4.3 0 -1 0.0 225.0606 6.44 6.44 0 -1 0.0 193.0047 7.35 7.35 0 -1 0.0 84.9973 5.3 5.3 0 -1 368439.125 259.8204 5.4 5.4 0 -1 0.0 109.9975 4.37 4.37 0 -1 0.0 84.9974 4.01 4.01 0 -1 0.0 105.0209 1.76 1.76 0 -1 0.0 84.9978 9.21 9.21 0 -1 0.0 104.027 5.75 5.75 0 -1 0.0 103.0125 1.06 1.06 0 -1 0.0 84.9999 8.84 8.84 0 -1 0.0 84.9976 11.28 11.28 0 -1 0.0 162.8386 6.32 6.32 0 -1 0.0 102.0118 1.71 1.71 0 -1 0.0 192.9955 5.33 5.33 0 -1 0.0 84.9977 4.56 4.56 0 -1 477562.3 160.9226 2.5 2.5 0 -1 0.0 463.1186 6.51 6.51 0 -1 465153.35 116.9185 5.53 5.53 0 -1 0.0 111.0068 9.87 9.87 0 -1 0.0 104.0291 5.31 5.31 0 -1 0.0 84.9975 5.66 5.66 0 -1 0.0 283.0768 4.33 4.33 0 -1 0.0 112.9862 2.25 2.25 0 -1 0.0 215.0321 5.58 5.58 0 -1 0.0 104.0316 2.2 2.2 0 -1 0.0 103.013 7.52 7.52 0 -1 0.0 84.9958 5.06 5.06 0 -1 0.0 84.9975 3.23 3.23 0 -1 0.0 90.0077 2.0 2.0 0 -1 0.0 84.9935 4.69 4.69 0 -1 0.0 102.0084 3.75 3.75 0 -1 0.0 84.9975 2.26 2.26 0 -1 0.0 103.0159 5.88 5.88 0 -1 0.0 104.0295 1.03 1.03 0 -1 0.0 239.0751 5.05 5.05 0 -1 0.0 84.9959 6.35 6.35 0 -1 0.0 193.0053 6.15 6.15 0 -1 0.0 103.013 0.9 0.9 0 -1 0.0 239.0765 4.36 4.36 0 -1 0.0 104.0272 6.52 6.52 0 -1 0.0 84.9977 10.42 10.42 0 -1 0.0 295.0264 3.53 3.53 0 -1 0.0 104.0295 8.18 8.18 0 -1 0.0 104.0274 1.78 1.78 0 -1 0.0 104.02 2.49 2.49 0 -1 0.0 84.9975 1.43 1.43 0 -1 0.0 104.0294 2.2 2.2 0 -1 0.0 85.0119 5.58 5.58 0 -1 0.0 84.9959 4.29 4.29 0 -1 0.0 102.0083 1.09 1.09 0 -1 0.0 103.0161 6.3 6.3 0 -1 0.0 104.0168 1.97 1.97 0 -1 0.0 102.0115 2.97 2.97 0 -1 0.0 548.7634 4.83 4.83 0 -1 0.0 84.9959 6.98 6.98 0 -1 0.0 112.9837 2.49 2.49 0 -1 0.0 85.0119 7.68 7.68 0 -1 0.0 85.0001 2.72 2.72 0 -1 0.0 105.0209 2.08 2.08 0 -1 0.0 217.0289 5.58 5.58 0 -1 0.0 103.0139 2.14 2.14 0 -1 0.0 169.9796 10.7 10.7 0 -1 0.0 84.9977 2.41 2.41 0 -1 0.0 134.0457 2.64 2.64 0 -1 0.0 351.184 2.31 2.31 0 -1 0.0 84.9975 4.85 4.85 0 -1 0.0 181.069 2.51 2.51 0 -1 0.0 104.0329 3.14 3.14 0 -1 0.0 191.018 2.32 2.32 0 -1 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 104.0323 1.83 1.83 0 -1 0.0 217.029 6.43 6.43 0 -1 0.0 105.0208 2.91 2.91 0 -1 0.0 248.9588 5.77 5.77 0 -1 0.0 84.9978 6.38 6.38 0 -1 0.0 84.9978 1.82 1.82 0 -1 0.0 84.9954 5.81 5.81 0 -1 0.0 84.9942 4.28 4.28 0 -1 0.0 146.0447 6.71 6.71 0 -1 0.0 84.9976 11.15 11.15 0 -1 0.0 85.0058 1.03 1.03 0 -1 0.0 104.0295 5.75 5.75 0 -1 0.0 85.0 7.79 7.79 0 -1 0.0 104.0295 9.1 9.1 0 -1 0.0 104.0331 4.59 4.59 0 -1 0.0 404.1032 6.51 6.51 0 -1 0.0 104.0294 5.14 5.14 0 -1 0.0 102.0119 1.34 1.34 0 -1 0.0 103.016 6.5 6.5 0 -1 0.0 104.0295 0.83 0.83 0 -1 0.0 104.0321 2.48 2.48 0 -1 0.0 84.9976 3.5 3.5 0 -1 0.0 104.0274 3.29 3.29 0 -1 0.0 85.0057 1.62 1.62 0 -1 0.0 84.9961 0.95 0.95 0 -1 0.0 84.9975 5.15 5.15 0 -1 0.0 128.0329 2.25 2.25 0 -1 0.0 85.0084 1.74 1.74 0 -1 0.0 85.0 4.97 4.97 0 -1 0.0 85.0 11.34 11.34 0 -1 0.0 84.9976 5.83 5.83 0 -1 0.0 104.0295 2.35 2.35 0 -1 0.0 102.014 1.11 1.11 0 -1 0.0 104.032 2.09 2.09 0 -1 0.0 330.1039 4.34 4.34 0 -1 0.0 103.013 8.16 8.16 0 -1 0.0 104.0319 3.09 3.09 0 -1 0.0 104.0271 7.26 7.26 0 -1 0.0 84.9941 2.13 2.13 0 -1 0.0 84.9973 0.87 0.87 0 -1 0.0 115.0015 6.82 6.82 0 -1 0.0 84.9941 1.2 1.2 0 -1 0.0 104.0324 4.04 4.04 0 -1 0.0 537.1217 3.35 3.35 0 -1 0.0 157.012 3.91 3.91 0 -1 0.0 114.0176 6.82 6.82 0 -1 0.0 102.0122 1.46 1.46 0 -1 0.0 84.9976 3.86 3.86 0 -1 0.0 85.0118 8.64 8.64 0 -1 0.0 84.9957 3.44 3.44 0 -1 3062580.15 217.032 4.95 4.95 0 -1 0.0 169.9799 9.49 9.49 0 -1 0.0 173.0427 3.25 3.25 0 -1 Shikimic Acid O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 0.0 313.1132 4.32 4.32 0 -1 0.0 134.892 5.48 5.48 0 -1 0.0 84.9955 4.22 4.22 0 -1 0.0 215.0324 6.43 6.43 0 -1 0.0 384.9341 5.88 5.88 0 -1 0.0 104.0318 4.74 4.74 0 -1 0.0 84.9975 10.04 10.04 0 -1 0.0 373.1681 2.31 2.31 0 -1 0.0 163.0234 4.94 4.94 0 -1 0.0 104.0272 3.6 3.6 0 -1 0.0 85.0119 4.97 4.97 0 -1 0.0 125.0219 3.92 3.92 0 -1 0.0 104.0295 8.29 8.29 0 -1 0.0 104.0272 4.48 4.48 0 -1 0.0 215.0323 6.29 6.29 0 -1 0.0 104.0295 0.8 0.8 0 -1 0.0 84.9975 11.92 11.92 0 -1 0.0 117.0177 2.33 2.33 0 -1 0.0 104.0272 1.17 1.17 0 -1 0.0 104.0274 1.61 1.61 0 -1 0.0 84.9939 3.82 3.82 0 -1 0.0 160.8407 0.15 0.15 0 -1 0.0 104.0294 9.67 9.67 0 -1 0.0 239.0767 5.05 5.05 0 -1 0.0 84.9942 5.06 5.06 0 -1 0.0 492.1815 5.55 5.55 0 -1 0.0 195.8102 0.15 0.15 0 -1 0.0 84.9957 5.11 5.11 0 -1 0.0 104.0327 1.41 1.41 0 -1 0.0 85.0057 2.71 2.71 0 -1 0.0 84.9976 8.6 8.6 0 -1 0.0 192.9957 5.2 5.2 0 -1 0.0 102.0141 1.86 1.86 0 -1 0.0 104.0295 2.93 2.93 0 -1 0.0 130.0487 1.38 1.38 0 -1 0.0 84.9954 1.66 1.66 0 -1 0.0 84.9951 3.0 3.0 0 -1 0.0 390.1227 6.51 6.51 0 -1 0.0 102.0112 2.24 2.24 0 -1 0.0 211.0076 6.94 6.94 0 -1 0.0 103.0156 1.7 1.7 0 -1 0.0 298.8805 4.84 4.84 0 -1 0.0 103.0124 1.91 1.91 0 -1 0.0 84.9958 2.7 2.7 0 -1 0.0 104.0272 7.72 7.72 0 -1 0.0 116.9264 5.48 5.48 0 -1 0.0 103.0139 1.19 1.19 0 -1 0.0 187.9256 3.12 3.12 0 -1 0.0 85.0059 3.31 3.31 0 -1 373587.325 280.9763 4.94 4.94 0 -1 0.0 211.0076 5.69 5.69 0 -1 0.0 105.0209 2.83 2.83 0 -1 0.0 134.863 3.39 3.39 0 -1 0.0 242.0499 4.48 4.48 0 -1 0.0 85.012 1.09 1.09 0 -1 0.0 146.9638 5.09 5.09 0 -1 0.0 455.1006 6.51 6.51 0 -1 0.0 104.0285 2.15 2.15 0 -1 0.0 192.9977 7.5 7.5 0 -1 0.0 85.0084 0.95 0.95 0 -1 0.0 192.9978 5.64 5.64 0 -1 0.0 84.9975 6.23 6.23 0 -1 0.0 124.9889 5.38 5.38 0 -1 0.0 84.9942 5.12 5.12 0 -1 0.0 85.0 11.17 11.17 0 -1 0.0 193.005 9.1 9.1 0 -1 0.0 192.9977 8.49 8.49 0 -1 0.0 84.9999 8.19 8.19 0 -1 0.0 104.02 1.81 1.81 0 -1 0.0 84.9942 2.05 2.05 0 -1 0.0 104.0272 3.48 3.48 0 -1 0.0 104.0168 1.64 1.64 0 -1 0.0 144.9214 5.48 5.48 0 -1 0.0 84.995 0.85 0.85 0 -1 0.0 104.0283 3.61 3.61 0 -1 0.0 104.0296 5.59 5.59 0 -1 0.0 84.9958 3.28 3.28 0 -1 0.0 104.0271 4.13 4.13 0 -1 0.0 501.3583 0.54 0.54 0 -1 0.0 104.0292 2.75 2.75 0 -1 0.0 104.0283 4.03 4.03 0 -1 0.0 85.012 4.44 4.44 0 -1 0.0 104.0317 1.53 1.53 0 -1 0.0 84.9941 1.62 1.62 0 -1 0.0 167.0182 4.64 4.64 0 -1 0.0 85.0001 8.71 8.71 0 -1 0.0 92.0239 0.45 0.45 0 -1 0.0 103.013 7.01 7.01 0 -1 0.0 84.9973 9.81 9.81 0 -1 0.0 104.0272 2.23 2.23 0 -1 0.0 387.1133 6.95 6.95 0 -1 beta-Lactose - 40.0 eV C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 0.0 104.0294 7.14 7.14 0 -1 0.0 435.1277 3.71 3.71 0 -1 Coatlin A O=C(c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc1)C(O)Cc1ccc(O)cc1 InChI=1S/C21H24O10/c22-8-14-18(28)19(29)20(30)21(31-14)15-12(24)6-5-11(17(15)27)16(26)13(25)7-9-1-3-10(23)4-2-9/h1-6,13-14,18-25,27-30H,7-8H2/t13?,14-,18-,19+,20-,21+/m1/s1 0.0 146.964 4.37 4.37 0 -1 0.0 103.9185 4.36 4.36 0 -1 0.0 84.9956 8.96 8.96 0 -1 0.0 84.9941 2.62 2.62 0 -1 0.0 258.9798 5.42 5.42 0 -1 0.0 104.0319 2.76 2.76 0 -1 0.0 104.0294 9.7 9.7 0 -1 0.0 103.013 8.83 8.83 0 -1 0.0 192.9978 9.08 9.08 0 -1 0.0 104.032 4.99 4.99 0 -1 0.0 111.0068 6.31 6.31 0 -1 0.0 104.0271 6.63 6.63 0 -1 0.0 211.0077 7.62 7.62 0 -1 0.0 104.0294 8.1 8.1 0 -1 0.0 105.0209 2.48 2.48 0 -1 0.0 115.0015 6.5 6.5 0 -1 361345.565 343.115 1.28 1.28 0 -1 0.0 84.9959 3.16 3.16 0 -1 0.0 85.0 8.4 8.4 0 -1 0.0 96.9581 0.53 0.53 0 -1 -160.056 -160 0.8281 0 716 960 14 Cosine 0.8281 45.99 45 0.8359 0 716 719 14 Cosine 0.8359 45.991 45 0.8309 0 716 739 14 Cosine 0.8309 0.016 0 0.9015 0 716 707 14 Cosine 0.9015 -46.002 -46 0.8425 0 716 709 14 Cosine 0.8425 -45.989 -45 0.8661 0 716 706 14 Cosine 0.8661 4.842 4 0.745 0 629 711 90 Cosine 0.745 -22.019 -22 0.8623 0 711 712 90 Cosine 0.8623 -0.003 0 0.9944 0 147 289 11 Cosine 0.9944 0.001 0 0.9723 0 1305 1294 52 Cosine 0.9723 1.001 1 0.9395 0 1305 1296 52 Cosine 0.9395 -2.999 -2 0.9702 0 1305 1298 52 Cosine 0.9702 0.012 0 0.9904 0 792 400 11 Cosine 0.9904 0.0 0 0.9524 0 1070 917 168 Cosine 0.9524 -0.0 0 0.9627 0 1070 1225 168 Cosine 0.9627 -0.0 0 0.9652 0 1070 1237 168 Cosine 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164 38 Cosine 1.0 0.008 0 0.9919 0 166 162 38 Cosine 0.9919 0.012 0 0.9842 0 242 781 11 Cosine 0.9842 0.012 0 0.9896 0 242 837 11 Cosine 0.9896 7.982 7 0.7423 0 484 483 32 Cosine 0.7423 -7.982 -7 0.7315 0 484 490 32 Cosine 0.7315 -0.001 0 0.9373 0 659 576 41 Cosine 0.9373 -0.0 0 0.9577 0 659 587 41 Cosine 0.9577 -0.001 0 0.9668 0 659 663 41 Cosine 0.9668 1.997 1 0.8637 0 945 944 89 Cosine 0.8637 -0.0 0 0.9791 0 945 892 89 Cosine 0.9791 -41.957 -41 0.9147 0 945 810 89 Cosine 0.9147 0.0 0 0.9298 0 10 405 203 Cosine 0.9298 -0.005 0 0.9756 0 1224 1235 28 Cosine 0.9756 -0.0 0 0.9788 0 1224 1171 28 Cosine 0.9788 0.0 0 0.9806 0 1224 1249 28 Cosine 0.9806 0.0 0 0.9591 0 1224 1177 28 Cosine 0.9591 -0.001 0 0.9614 0 1224 887 28 Cosine 0.9614 0.0 0 0.9747 0 1224 1231 28 Cosine 0.9747 -0.0 0 0.9693 0 1224 1094 28 Cosine 0.9693 -0.0 0 0.9649 0 1224 1046 28 Cosine 0.9649 -0.001 0 0.9794 0 1224 1068 28 Cosine 0.9794 -0.0 0 0.9786 0 1224 1253 28 Cosine 0.9786 0.014 0 0.9871 0 534 873 11 Cosine 0.9871 0.012 0 0.9853 0 534 1064 11 Cosine 0.9853 -0.004 0 0.9877 0 534 250 11 Cosine 0.9877 0.018 0 0.9853 0 534 584 11 Cosine 0.9853 -0.008 0 0.9947 0 1129 1260 2 Cosine 0.9947 -0.007 0 0.9938 0 1129 1174 2 Cosine 0.9938 -0.007 0 0.9936 0 1129 1195 2 Cosine 0.9936 0.0 0 0.9953 0 1129 1266 2 Cosine 0.9953 0.0 0 0.9935 0 1129 876 2 Cosine 0.9935 -0.008 0 0.9935 0 1129 1274 2 Cosine 0.9935 0.0 0 0.9958 0 1129 1089 2 Cosine 0.9958 -0.001 0 0.9945 0 1129 811 2 Cosine 0.9945 0.0 0 0.9953 0 1129 1284 2 Cosine 0.9953 0.001 0 0.9617 0 498 482 78 Cosine 0.9617 0.0 0 0.9898 0 521 550 33 Cosine 0.9898 0.008 0 0.9866 0 521 328 33 Cosine 0.9866 -0.0 0 0.9717 0 1253 1074 28 Cosine 0.9717 0.005 0 0.9792 0 1253 1235 28 Cosine 0.9792 -0.001 0 0.9775 0 1253 1171 28 Cosine 0.9775 -0.001 0 0.9662 0 1253 954 28 Cosine 0.9662 0.0 0 0.9687 0 1253 1000 28 Cosine 0.9687 -0.001 0 0.9773 0 1253 1249 28 Cosine 0.9773 -0.0 0 0.9832 0 1253 1231 28 Cosine 0.9832 -0.0 0 0.9714 0 1253 1046 28 Cosine 0.9714 -0.001 0 0.9709 0 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0.9648 0 585 586 81 Cosine 0.9648 0.132 0 0.9531 0 908 904 4 Cosine 0.9531 -146.132 -146 0.7972 0 908 930 4 Cosine 0.7972 -0.095 0 0.7258 0 908 1242 4 Cosine 0.7258 -0.001 0 0.9661 0 460 466 6 Cosine 0.9661 -0.001 0 0.9726 0 460 1279 6 Cosine 0.9726 0.0 0 0.9668 0 460 509 6 Cosine 0.9668 -0.0 0 0.9724 0 460 1287 6 Cosine 0.9724 -0.001 0 0.9664 0 460 1323 6 Cosine 0.9664 -0.012 0 0.9887 0 514 473 33 Cosine 0.9887 -0.001 0 0.9859 0 514 432 33 Cosine 0.9859 -0.004 0 0.9899 0 514 450 33 Cosine 0.9899 -0.008 0 0.9899 0 514 453 33 Cosine 0.9899 -0.002 0 0.9913 0 514 476 33 Cosine 0.9913 -0.009 0 0.985 0 514 503 33 Cosine 0.985 0.002 0 0.9854 0 514 539 33 Cosine 0.9854 0.001 0 0.9853 0 514 595 33 Cosine 0.9853 0.001 0 0.9817 0 514 666 33 Cosine 0.9817 -15.995 -15 0.8067 0 1153 906 4 Cosine 0.8067 -15.995 -15 0.7801 0 1153 1009 4 Cosine 0.7801 0.0 0 0.9601 0 1153 1097 4 Cosine 0.9601 -0.0 0 0.9458 0 1153 1117 4 Cosine 0.9458 -0.0 0 0.8172 0 494 532 134 Cosine 0.8172 0.0 0 0.7842 0 494 417 134 Cosine 0.7842 -0.002 0 1.0 0 494 527 134 Cosine 1.0 -0.005 0 0.8612 0 494 524 134 Cosine 0.8612 -0.001 0 0.8612 0 494 528 134 Cosine 0.8612 0.0 0 0.9929 0 1232 1255 39 Cosine 0.9929 -0.007 0 0.9854 0 1232 921 39 Cosine 0.9854 -0.008 0 0.9822 0 1232 994 39 Cosine 0.9822 -0.008 0 0.9853 0 1232 1019 39 Cosine 0.9853 -0.008 0 0.9877 0 1232 1069 39 Cosine 0.9877 -0.007 0 0.9881 0 1232 1222 39 Cosine 0.9881 0.008 0 0.9885 0 1232 1241 39 Cosine 0.9885 -0.001 0 0.9875 0 1232 1248 39 Cosine 0.9875 0.0 0 0.9946 0 1232 1252 39 Cosine 0.9946 -0.001 0 0.9895 0 1232 1256 39 Cosine 0.9895 -0.0 0 0.9248 0 718 852 120 Cosine 0.9248 -16.046 -16 0.9345 0 785 1210 21 Cosine 0.9345 -0.001 0 0.9747 0 252 253 112 Cosine 0.9747 1.003 1 0.7912 0 387 553 122 Cosine 0.7912 1.001 1 0.8187 0 387 389 122 Cosine 0.8187 -0.0 0 0.8001 0 879 343 144 Cosine 0.8001 -2.012 -2 0.7727 0 566 619 87 Cosine 0.7727 -0.018 0 0.7482 0 566 620 87 Cosine 0.7482 -0.0 0 0.9714 0 237 351 65 Cosine 0.9714 0.0 0 0.9454 0 237 84 65 Cosine 0.9454 0.0 0 0.9788 0 237 157 65 Cosine 0.9788 0.0 0 0.9735 0 237 202 65 Cosine 0.9735 0.0 0 0.9639 0 237 316 65 Cosine 0.9639 0.0 0 0.9693 0 237 383 65 Cosine 0.9693 1.002 1 0.849 0 741 708 14 Cosine 0.849 -160.039 -160 0.8886 0 741 961 14 Cosine 0.8886 -0.001 0 0.937 0 741 719 14 Cosine 0.937 2.017 2 0.8493 0 741 750 14 Cosine 0.8493 -132.043 -132 0.8309 0 741 844 14 Cosine 0.8309 -0.001 0 0.9599 0 741 739 14 Cosine 0.9599 -0.013 0 0.9585 0 741 709 14 Cosine 0.9585 -70.004 -70 0.8355 0 741 807 14 Cosine 0.8355 0.0 0 0.9686 0 741 706 14 Cosine 0.9686 0.002 0 0.988 0 515 240 11 Cosine 0.988 0.004 0 0.9896 0 515 126 11 Cosine 0.9896 -0.002 0 0.9872 0 515 347 11 Cosine 0.9872 -0.004 0 0.9893 0 515 577 11 Cosine 0.9893 0.008 0 0.9961 0 1266 1260 2 Cosine 0.9961 0.008 0 0.995 0 1266 1195 2 Cosine 0.995 -0.0 0 0.994 0 1266 811 2 Cosine 0.994 0.001 0 0.9942 0 1266 876 2 Cosine 0.9942 0.0 0 0.9944 0 1266 1011 2 Cosine 0.9944 0.001 0 0.995 0 1266 1089 2 Cosine 0.995 0.008 0 0.994 0 1266 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0.006 0 1.0 0 124 144 123 Cosine 1.0 0.003 0 1.0 0 124 165 123 Cosine 1.0 -0.012 0 0.9898 0 837 1188 11 Cosine 0.9898 0.006 0 0.9908 0 837 577 11 Cosine 0.9908 -0.004 0 0.9924 0 837 1208 11 Cosine 0.9924 0.004 0 0.9897 0 837 638 11 Cosine 0.9897 0.0 0 0.9617 0 1094 1171 28 Cosine 0.9617 0.0 0 0.9633 0 1094 1249 28 Cosine 0.9633 -0.0 0 0.9501 0 1094 887 28 Cosine 0.9501 -0.001 0 0.9615 0 1094 1068 28 Cosine 0.9615 -30.995 -30 0.845 0 1119 1095 56 Cosine 0.845 46.005 46 0.8468 0 820 748 14 Cosine 0.8468 -0.001 0 0.9543 0 820 750 14 Cosine 0.9543 0.0 0 0.9747 0 820 752 14 Cosine 0.9747 46.006 46 0.8911 0 820 755 14 Cosine 0.8911 -0.007 0 0.9871 0 1222 1255 39 Cosine 0.9871 0.0 0 0.9861 0 1222 1241 39 Cosine 0.9861 -0.001 0 0.9842 0 1222 1019 39 Cosine 0.9842 -0.0 0 0.9805 0 1222 921 39 Cosine 0.9805 -0.007 0 0.988 0 1222 1252 39 Cosine 0.988 -0.006 0 0.9742 0 1068 1235 28 Cosine 0.9742 -0.0 0 0.9714 0 1068 1171 28 Cosine 0.9714 -0.001 0 0.9752 0 1068 1249 28 Cosine 0.9752 0.0 0 0.9676 0 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0.9757 0.009 0 0.975 0 913 1286 21 Cosine 0.975 -0.001 0 0.9697 0 913 1234 21 Cosine 0.9697 0.007 0 0.9501 0 913 1210 21 Cosine 0.9501 0.009 0 0.9616 0 913 1313 21 Cosine 0.9616 -0.001 0 0.9214 0 41 319 92 Cosine 0.9214 -0.0 0 0.9212 0 41 529 92 Cosine 0.9212 -0.001 0 0.9277 0 41 75 92 Cosine 0.9277 -0.001 0 0.9323 0 41 283 92 Cosine 0.9323 -0.0 0 0.9192 0 41 475 92 Cosine 0.9192 -0.002 0 0.9259 0 41 361 92 Cosine 0.9259 -0.0 0 0.9368 0 756 821 60 Cosine 0.9368 -10.968 -10 0.9782 0 897 928 47 Cosine 0.9782 -0.003 0 0.9946 0 880 458 11 Cosine 0.9946 0.05 0 0.9065 0 1023 1059 99 Cosine 0.9065 0.005 0 0.9741 0 1249 1235 28 Cosine 0.9741 -0.0 0 0.9786 0 1249 1171 28 Cosine 0.9786 -18.974 -18 0.7726 0 632 616 16 Cosine 0.7726 27.018 27 0.7937 0 632 621 16 Cosine 0.7937 27.019 27 0.7687 0 632 622 16 Cosine 0.7687 0.011 0 0.9909 0 536 505 11 Cosine 0.9909 0.005 0 0.8877 0 1032 1043 121 Cosine 0.8877 56.059 56 0.7858 0 34 51 122 Cosine 0.7858 -0.003 0 1.0 0 582 591 46 Cosine 1.0 -0.09 0 0.9746 0 817 804 114 Cosine 0.9746 0.091 0 0.9652 0 817 966 114 Cosine 0.9652 0.0 0 0.9581 0 817 753 114 Cosine 0.9581 -0.001 0 0.9923 0 539 476 33 Cosine 0.9923 0.001 0 0.9894 0 539 432 33 Cosine 0.9894 -0.004 0 0.9855 0 539 480 33 Cosine 0.9855 -0.001 0 0.9914 0 539 595 33 Cosine 0.9914 -0.005 0 0.972 0 1046 1235 28 Cosine 0.972 0.0 0 0.9655 0 1046 1171 28 Cosine 0.9655 -0.0 0 0.973 0 1046 954 28 Cosine 0.973 0.0 0 0.98 0 1046 1000 28 Cosine 0.98 -0.015 0 0.9866 0 156 326 11 Cosine 0.9866 -0.0 0 0.9842 0 156 638 11 Cosine 0.9842 -0.008 0 0.9855 0 156 1034 11 Cosine 0.9855 1.994 1 0.9544 0 619 620 87 Cosine 0.9544 30.045 30 0.9098 0 194 398 17 Cosine 0.9098 29.043 29 0.7278 0 194 401 17 Cosine 0.7278 -0.006 0 0.9906 0 518 408 207 Cosine 0.9906 -0.0 0 0.9497 0 767 587 41 Cosine 0.9497 46.005 46 0.8794 0 844 843 14 Cosine 0.8794 -0.0 0 0.7826 0 1273 949 18 Cosine 0.7826 -0.007 0 0.9904 0 1255 1241 39 Cosine 0.9904 0.0 0 0.9938 0 1255 1252 39 Cosine 0.9938 204.093 204 0.8137 0 336 1142 29 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0.9022 0 529 475 92 Cosine 0.9022 0.001 0 0.9108 0 249 224 8 Cosine 0.9108 0.0 0 0.8782 0 459 612 80 Cosine 0.8782 -0.001 0 0.9316 0 459 927 80 Cosine 0.9316 -0.001 0 0.9407 0 459 1221 80 Cosine 0.9407 -0.0 0 0.9925 0 986 1143 2 Cosine 0.9925 -0.007 0 0.9937 0 986 1195 2 Cosine 0.9937 0.0 0 0.9931 0 986 876 2 Cosine 0.9931 0.0 0 0.9879 0 69 240 11 Cosine 0.9879 -0.002 0 0.8712 0 434 463 49 Cosine 0.8712 -176.07 -176 0.9041 0 434 462 49 Cosine 0.9041 -1.003 -1 0.8241 0 434 465 49 Cosine 0.8241 0.009 0 0.9452 0 1313 1243 21 Cosine 0.9452 0.0 0 0.9855 0 1313 1286 21 Cosine 0.9855 0.002 0 0.9763 0 1313 1210 21 Cosine 0.9763 64.031 64 0.7843 0 398 247 17 Cosine 0.7843 -1.003 -1 0.742 0 398 401 17 Cosine 0.742 0.006 0 0.9908 0 886 1188 11 Cosine 0.9908 0.0 0 0.9803 0 259 383 65 Cosine 0.9803 0.0 0 0.9465 0 1142 1102 29 Cosine 0.9465 -0.017 0 0.9569 0 1142 1158 29 Cosine 0.9569 -46.005 -46 0.8167 0 374 375 24 Cosine 0.8167 0.006 0 0.9867 0 1336 813 11 Cosine 0.9867 -0.007 0 0.9865 0 1333 1329 52 Cosine 0.9865 -45.992 -45 0.7495 0 616 621 16 Cosine 0.7495 -45.993 -45 0.7902 0 616 622 16 Cosine 0.7902 -0.0 0 0.9936 0 888 1111 2 Cosine 0.9936 -0.018 0 1.0 0 594 592 11 Cosine 1.0 67.989 67 0.8637 0 1076 1066 109 Cosine 0.8637 0.001 0 0.9671 0 1076 1067 109 Cosine 0.9671 176.068 176 0.8913 0 462 463 49 Cosine 0.8913 -0.001 0 0.908 0 174 319 92 Cosine 0.908 -0.001 0 0.9045 0 174 283 92 Cosine 0.9045 -0.001 0 0.9007 0 174 361 92 Cosine 0.9007 -0.0 0 0.9892 0 813 1188 11 Cosine 0.9892 0.007 0 0.9944 0 813 1208 11 Cosine 0.9944 -0.002 0 0.9921 0 1264 8 11 Cosine 0.9921 -0.004 0 0.9953 0 1264 1226 11 Cosine 0.9953 -0.006 0 0.9937 0 1264 210 11 Cosine 0.9937 0.006 0 0.9952 0 1264 526 11 Cosine 0.9952 -0.003 0 0.995 0 1264 580 11 Cosine 0.995 0.012 0 0.995 0 1264 838 11 Cosine 0.995 0.0 0 0.9142 0 75 319 92 Cosine 0.9142 -0.0 0 0.9233 0 75 283 92 Cosine 0.9233 -0.001 0 0.9113 0 75 361 92 Cosine 0.9113 0.001 0 0.9142 0 75 475 92 Cosine 0.9142 251.884 251 0.7989 0 690 687 161 Cosine 0.7989 0.0 0 0.9913 0 1310 1199 2 Cosine 0.9913 -26.015 -26 0.972 0 650 456 33 Cosine 0.972 0.0 0 0.9398 0 283 319 92 Cosine 0.9398 -0.0 0 0.929 0 283 361 92 Cosine 0.929 0.001 0 0.9093 0 283 475 92 Cosine 0.9093 0.0 0 0.9563 0 896 939 5 Cosine 0.9563 -1.996 -1 0.933 0 896 895 5 Cosine 0.933 -23.016 -23 0.7855 0 626 621 16 Cosine 0.7855 -23.015 -23 0.7956 0 626 622 16 Cosine 0.7956 67.988 67 0.8705 0 1067 1066 109 Cosine 0.8705 -0.001 0 0.974 0 378 384 74 Cosine 0.974 -334.082 -334 0.8306 0 378 380 74 Cosine 0.8306 -334.08 -334 0.8284 0 378 381 74 Cosine 0.8284 99.047 99 0.7393 0 378 919 74 Cosine 0.7393 334.081 334 0.823 0 384 380 74 Cosine 0.823 334.079 334 0.8204 0 384 381 74 Cosine 0.8204 99.048 99 0.75 0 384 919 74 Cosine 0.75 -1.001 -1 0.9437 0 463 465 49 Cosine 0.9437 -0.0 0 0.9933 0 1213 1260 2 Cosine 0.9933 -0.001 0 0.9938 0 1213 1195 2 Cosine 0.9938 -0.008 0 0.9938 0 1213 876 2 Cosine 0.9938 -0.007 0 0.9946 0 1213 1111 2 Cosine 0.9946 0.008 0 0.9937 0 1213 1278 2 Cosine 0.9937 0.0 0 0.9891 0 1234 1243 21 Cosine 0.9891 0.009 0 0.9389 0 1234 1286 21 Cosine 0.9389 -0.002 0 1.0 0 685 729 154 Cosine 1.0 0.002 0 0.9922 0 432 476 33 Cosine 0.9922 0.0 0 0.9904 0 432 595 33 Cosine 0.9904 0.005 0 0.9857 0 432 480 33 Cosine 0.9857 0.01 0 0.997 0 526 1226 11 Cosine 0.997 -0.012 0 0.9959 0 526 210 11 Cosine 0.9959 0.009 0 0.9973 0 526 580 11 Cosine 0.9973 -0.006 0 0.9952 0 526 838 11 Cosine 0.9952 0.002 0 0.9112 0 381 380 74 Cosine 0.9112 0.001 0 0.9624 0 1171 1000 28 Cosine 0.9624 -15.995 -15 0.8315 0 488 1001 10 Cosine 0.8315 -0.002 0 0.9892 0 1196 306 117 Cosine 0.9892 -0.0 0 0.9875 0 1203 950 146 Cosine 0.9875 -0.001 0 0.994 0 1195 1260 2 Cosine 0.994 -0.007 0 0.9939 0 1195 1143 2 Cosine 0.9939 -0.007 0 0.9943 0 1195 876 2 Cosine 0.9943 3.0 3 0.8508 0 1295 1297 181 Cosine 0.8508 0.008 0 0.9948 0 1208 1188 11 Cosine 0.9948 0.0 0 0.9923 0 1278 1111 2 Cosine 0.9923 0.0 0 0.9925 0 1278 1284 2 Cosine 0.9925 0.002 0 0.9765 0 1210 1286 21 Cosine 0.9765 -0.002 0 0.9955 0 210 1226 11 Cosine 0.9955 -0.003 0 0.9957 0 210 580 11 Cosine 0.9957 -0.018 0 0.9937 0 210 838 11 Cosine 0.9937 -67.947 -67 0.8496 0 299 1300 36 Cosine 0.8496 -0.001 0 0.9254 0 361 319 92 Cosine 0.9254 0.001 0 0.9136 0 361 475 92 Cosine 0.9136 115.041 115 0.7106 0 507 919 74 Cosine 0.7106 46.005 46 0.8571 0 748 752 14 Cosine 0.8571 -0.007 0 0.9925 0 1174 1143 2 Cosine 0.9925 -0.007 0 0.993 0 1174 876 2 Cosine 0.993 0.007 0 0.9931 0 1174 1284 2 Cosine 0.9931 113.978 113 0.8575 0 1299 1300 36 Cosine 0.8575 -0.001 0 0.9921 0 595 476 33 Cosine 0.9921 -0.005 0 0.9866 0 595 480 33 Cosine 0.9866 0.008 0 0.9913 0 505 638 11 Cosine 0.9913 0.001 0 0.9393 0 1048 1049 45 Cosine 0.9393 -0.001 0 0.9687 0 750 752 14 Cosine 0.9687 0.002 0 0.9969 0 1226 580 11 Cosine 0.9969 0.016 0 0.9947 0 1226 838 11 Cosine 0.9947 0.001 0 0.9134 0 319 475 92 Cosine 0.9134 0.0 0 0.9537 0 1097 1117 4 Cosine 0.9537 -0.009 0 0.993 0 1260 811 2 Cosine 0.993 -0.008 0 0.9935 0 1260 876 2 Cosine 0.9935 0.0 0 0.7829 0 822 751 164 Cosine 0.7829 53.989 53 0.7311 0 492 490 32 Cosine 0.7311 -0.002 0 0.971 0 106 273 1 Cosine 0.971 -0.008 0 0.9839 0 363 240 11 Cosine 0.9839 244.095 244 0.728 0 320 553 122 Cosine 0.728 0.0 0 0.9848 0 994 609 39 Cosine 0.9848 -0.001 0 0.978 0 994 959 39 Cosine 0.978 -0.008 0 0.9826 0 994 1252 39 Cosine 0.9826 0.009 0 0.9585 0 1243 1286 21 Cosine 0.9585 0.004 0 0.9891 0 556 8 11 Cosine 0.9891 0.06 0 0.7258 0 39 553 122 Cosine 0.7258 0.984 0 0.96 0 39 51 122 Cosine 0.96 14.015 14 0.8751 0 39 47 122 Cosine 0.8751 -0.001 0 0.9722 0 621 622 16 Cosine 0.9722 -0.001 0 0.9125 0 612 927 80 Cosine 0.9125 -0.001 0 0.9249 0 612 1221 80 Cosine 0.9249 0.002 0 0.9391 0 719 706 14 Cosine 0.9391 -70.005 -70 0.847 0 719 807 14 Cosine 0.847 0.0 0 0.9924 0 1143 1284 2 Cosine 0.9924 -70.003 -70 0.8615 0 706 807 14 Cosine 0.8615 -0.0 0 0.9682 0 927 1221 80 Cosine 0.9682 -0.008 0 0.9911 0 1241 1252 39 Cosine 0.9911 0.0 0 0.9701 0 966 804 114 Cosine 0.9701 -0.015 0 0.9949 0 580 838 11 Cosine 0.9949 -0.002 0 0.7842 0 527 417 134 Cosine 0.7842 -0.016 0 0.9903 0 770 838 11 Cosine 0.9903 0.008 0 0.9893 0 400 984 11 Cosine 0.9893 -0.001 0 0.9806 0 954 1000 28 Cosine 0.9806 nf_output/networking/params/0000755000000000000000000000000014652135340015254 5ustar rootrootnf_output/networking/params/0.params0000644000000000000000000000026014652135340016616 0ustar rootrootALIGNS_FORMAT=tsv MIN_MATCHED_PEAKS=6 TOLERANCE_PEAK=0.1 TOLERANCE_PM=0.1 PAIRS_MIN_COSINE=0.7 MAX_SHIFT=1999.0 INPUT_SPECTRA_MS2=spectra_filtered.mgf IDX_START=0 IDX_END=1336 nf_output/networking/network.graphml0000644000000000000000000213632514652135745017063 0ustar rootroot 2198637.7 227.0602 4.95 4.95 0 14 D-Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1" 0.0 248.8918 4.37 4.37 0 90 1064784.85 244.0493 4.94 4.94 0 90 0.0 84.9941 1.47 1.47 0 11 0.0 158.9769 11.06 11.06 0 52 0.0 84.9966 5.45 5.45 0 11 0.0 192.021 7.24 7.24 0 168 0.0 193.0051 6.91 6.91 0 2 0.0 96.958 6.29 6.29 0 21 0.0 85.0084 3.09 3.09 0 207 0.0 193.0049 7.86 7.86 0 2 0.0 103.0138 1.0 1.0 0 1 0.0 187.0239 3.92 3.92 0 122 0.0 85.0056 4.96 4.96 0 22 0.0 142.0491 1.85 1.85 0 82 0.0 199.8047 6.36 6.36 0 5 0.0 133.0131 6.3 6.3 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 85.0 11.76 11.76 0 11 0.0 310.9465 3.19 3.19 0 92 0.0 84.9985 4.33 4.33 0 11 0.0 191.0194 10.92 10.92 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 199.0359 6.85 6.85 0 29 0.0 163.024 2.35 2.35 0 65 0.0 104.0332 1.67 1.67 0 131 245972.645 134.8834 5.44 5.44 0 155 0.0 112.9838 5.21 5.21 0 185 0.0 251.094 3.4 3.4 0 143 0.0 112.984 6.62 6.62 0 99 339865.42 117.0096 1.62 1.62 0 38 0.0 85.0058 2.1 2.1 0 11 0.0 219.0136 3.46 3.46 0 32 0.0 191.0179 4.58 4.58 0 41 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 255.821 6.39 6.39 0 89 0.0 260.9105 0.42 0.42 0 203 0.0 133.0128 9.86 9.86 0 28 0.0 85.012 3.77 3.77 0 11 0.0 192.9976 7.92 7.92 0 2 0.0 191.0173 3.48 3.48 0 78 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 103.0056 3.67 3.67 0 33 0.0 133.013 10.22 10.22 0 28 0.0 104.0272 1.01 1.01 0 35 0.0 431.1833 0.61 0.61 0 107 0.0 84.994 4.06 4.06 0 11 0.0 431.3153 0.56 0.56 0 107 0.0 85.0 7.44 7.44 0 201 0.0 242.0498 4.37 4.37 0 16 0.0 191.0175 3.24 3.24 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 223.0638 4.17 4.17 0 81 0.0 208.934 6.29 6.29 0 4 D-SACCHARIC ACID [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 0.0 191.0179 3.38 3.38 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0142 3.62 3.62 0 33 0.0 195.0494 8.38 8.38 0 4 gluconic acid O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 0.0 104.0271 3.47 3.47 0 134 0.0 191.0269 9.95 9.95 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 319805.78 112.9759 4.95 4.95 0 120 0.0 80.9153 5.42 5.42 0 21 0.0 250.0705 2.17 2.17 0 112 0.0 188.0255 2.93 2.93 0 122 0.0 108.0184 6.12 6.12 0 144 236506.395 243.8814 4.01 4.01 0 87 0.0 163.0238 2.08 2.08 0 65 0.0 181.0709 5.11 5.11 0 14 MANNITOL C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 0.0 84.996 3.63 3.63 0 11 0.0 192.9972 10.53 10.53 0 2 200013.42 94.9819 5.31 5.31 0 29 0.0 193.0055 9.78 9.78 0 2 0.0 84.9941 2.49 2.49 0 117 0.0 85.0 10.76 10.76 0 11 0.0 103.0058 3.34 3.34 0 33 577831.45 194.9124 5.39 5.39 0 21 0.0 155.9777 10.99 10.99 0 52 0.0 96.9585 10.77 10.77 0 21 0.0 109.9975 1.04 1.04 0 70 0.0 205.0339 10.1 10.1 0 80 0.0 86.0055 6.0 6.0 0 31 0.0 351.1267 3.2 3.2 0 109 0.0 133.0127 9.95 9.95 0 28 0.0 92.9264 6.29 6.29 0 31 0.0 104.0294 5.21 5.21 0 26 0.0 142.9967 3.46 3.46 0 32 0.0 387.1164 6.5 6.5 0 14 sucrose OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 0.0 191.0186 3.39 3.39 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 289.9485 10.99 10.99 0 36 0.0 209.0478 4.35 4.35 0 143 0.0 293.124 2.82 2.82 0 14 0.0 113.0223 5.2 5.2 0 185 0.0 84.9975 4.73 4.73 0 11 0.0 103.0025 3.4 3.4 0 33 0.0 133.0124 7.81 7.81 0 28 0.0 133.0124 10.85 10.85 0 28 0.0 133.0127 10.37 10.37 0 28 386309.98 248.9421 5.89 5.89 0 51 0.0 84.9975 2.37 2.37 0 11 1384344.25 199.0224 6.58 6.58 0 29 0.0 84.9939 0.86 0.86 0 11 0.0 245.0419 7.81 7.81 0 56 0.0 192.9977 7.81 7.81 0 2 0.0 104.0319 3.71 3.71 0 134 0.0 225.0614 6.74 6.74 0 36 0.0 103.0154 1.29 1.29 0 1 0.0 260.91 3.03 3.03 0 203 0.0 181.0695 5.11 5.11 0 14 Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 0.0 96.958 5.48 5.48 0 21 0.0 163.0241 1.85 1.85 0 65 0.0 135.0278 6.3 6.3 0 13 0.0 192.9977 9.19 9.19 0 2 0.0 108.0183 2.71 2.71 0 144 0.0 182.0728 4.94 4.94 0 14 0.0 426.1233 6.51 6.51 0 90 0.0 191.0175 3.03 3.03 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 132.8652 3.39 3.39 0 28 0.0 205.8387 6.36 6.36 0 57 0.0 193.0698 4.68 4.68 0 4 Quebrachitol COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 184607.45 213.8636 5.53 5.53 0 89 0.0 89.0223 5.59 5.59 0 53 0.0 141.0183 0.89 0.89 0 17 0.0 267.0652 2.32 2.32 0 30 0.0 187.0245 2.93 2.93 0 122 0.0 117.0248 1.61 1.61 0 38 0.0 104.0295 1.89 1.89 0 131 0.0 174.038 3.14 3.14 0 48 0.0 188.0545 2.69 2.69 0 48 N-Acetyl-DL-glutamic acid - 40.0 eV CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) 0.0 133.0129 8.96 8.96 0 28 0.0 133.0126 7.24 7.24 0 28 0.0 310.9475 2.14 2.14 0 92 0.0 133.0124 0.52 0.52 0 28 0.0 195.8185 6.35 6.35 0 5 0.0 179.0537 4.07 4.07 0 44 0.0 186.0383 1.85 1.85 0 82 0.0 84.9978 9.0 9.0 0 11 0.0 191.0182 4.36 4.36 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 133.0121 5.53 5.53 0 28 0.0 84.9976 6.59 6.59 0 73 0.0 103.0056 3.52 3.52 0 33 0.0 84.9938 1.67 1.67 0 11 0.0 433.1116 3.35 3.35 0 56 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV c1(ccc2c(c1)OCC(C2=O)(c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O InChI=1S/C21H22O10/c22-8-15-16(25)17(26)18(27)20(30-15)31-21(10-1-3-11(23)4-2-10)9-29-14-7-12(24)5-6-13(14)19(21)28/h1-7,15-18,20,22-27H,8-9H2/t15-,16-,17+,18-,20+,21?/m1/s1 0.0 84.9976 6.98 6.98 0 11 0.0 129.9602 4.83 4.83 0 256 0.0 84.9955 5.47 5.47 0 11 0.0 84.994 5.26 5.26 0 11 0.0 84.9941 3.11 3.11 0 73 0.0 133.0119 3.39 3.39 0 28 0.0 103.0156 1.64 1.64 0 1 0.0 191.0175 3.59 3.59 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 192.9977 8.0 8.0 0 2 0.0 175.0465 7.24 7.24 0 12 Allantoic acid - 40.0 eV C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) 0.0 241.8994 4.36 4.36 0 16 0.0 207.8358 6.36 6.36 0 57 0.0 85.0119 3.06 3.06 0 73 0.0 86.0056 3.96 3.96 0 31 0.0 310.9464 1.45 1.45 0 92 0.0 464.8034 4.83 4.83 0 161 0.0 104.0271 2.65 2.65 0 118 0.0 85.0118 4.02 4.02 0 71 0.0 85.0121 1.95 1.95 0 75 0.0 223.0626 3.95 3.95 0 81 0.0 85.0085 2.24 2.24 0 11 0.0 191.0278 10.26 10.26 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 306279.545 316.9249 5.88 5.88 0 51 0.0 257.8179 6.39 6.39 0 89 0.0 267.0649 0.64 0.64 0 30 0.0 225.061 5.59 5.59 0 14 alpha-D-glucose OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 0.0 141.0186 2.24 2.24 0 76 0.0 192.0213 6.3 6.3 0 168 0.0 84.9957 3.89 3.89 0 11 0.0 85.0056 9.89 9.89 0 11 0.0 191.0183 10.92 10.92 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 85.0 6.88 6.88 0 11 0.0 85.0059 2.6 2.6 0 94 0.0 239.9032 4.36 4.36 0 16 0.0 84.9975 11.77 11.77 0 11 0.0 197.8078 6.26 6.26 0 5 0.0 84.9937 7.02 7.02 0 256 0.0 84.9941 3.22 3.22 0 11 0.0 86.0056 2.7 2.7 0 31 0.0 193.0048 11.85 11.85 0 2 0.0 102.0082 5.42 5.42 0 114 0.0 193.0049 8.99 8.99 0 2 0.0 85.0084 2.15 2.15 0 11 0.0 103.0129 2.82 2.82 0 1 0.0 104.0295 1.15 1.15 0 35 0.0 191.019 4.59 4.59 0 41 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9942 2.25 2.25 0 34 0.0 104.0318 1.1 1.1 0 101 0.0 85.0058 8.31 8.31 0 11 0.0 199.0345 6.84 6.84 0 29 0.0 179.0539 5.59 5.59 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 103.0141 1.72 1.72 0 1 0.0 160.0598 6.28 6.28 0 5 0.0 87.0067 3.18 3.18 0 22 0.0 191.0184 11.57 11.57 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 313.0727 0.58 0.58 0 30 0.0 242.8975 4.36 4.36 0 16 0.0 187.095 0.76 0.76 0 122 azelaic acid O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) 0.0 163.0239 1.04 1.04 0 65 0.0 85.0 7.58 7.58 0 93 0.0 169.9798 11.12 11.12 0 94 0.0 85.0 10.97 10.97 0 11 0.0 133.0129 6.82 6.82 0 28 L-(?)-Malic acid - 40.0 eV C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 0.0 333.0598 9.85 9.85 0 56 0.0 84.9976 5.95 5.95 0 96 0.0 84.9954 10.95 10.95 0 234 0.0 191.0274 10.58 10.58 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0137 1.97 1.97 0 1 0.0 193.0048 7.56 7.56 0 2 0.0 192.9976 6.77 6.77 0 2 0.0 116.0331 6.31 6.31 0 86 0.0 351.1013 7.24 7.24 0 12 0.0 85.0 10.28 10.28 0 75 0.0 84.9962 2.29 2.29 0 11 0.0 179.054 6.29 6.29 0 4 0.0 192.9976 5.71 5.71 0 2 0.0 191.0276 10.1 10.1 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 209.066 6.29 6.29 0 4 Saccharic acid - 40.0 eV [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 320813.57 204.9988 2.45 2.45 0 147 0.0 103.0131 4.67 4.67 0 33 0.0 179.0536 4.49 4.49 0 14 PSICOSE C1[C@H]([C@H]([C@H](C(CO)(O)O1)O)O)O "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1" 0.0 191.0188 7.24 7.24 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9938 6.01 6.01 0 11 0.0 103.0136 3.97 3.97 0 1 28203104.0 181.0578 4.94 4.94 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 192.9978 7.32 7.32 0 2 0.0 84.9975 10.31 10.31 0 11 0.0 84.9976 0.97 0.97 0 11 0.0 85.0 5.73 5.73 0 11 0.0 85.0083 4.23 4.23 0 97 2865401.85 266.0687 4.94 4.94 0 90 0.0 179.0541 6.74 6.74 0 4 D-FRUCTOSE OCC(=O)[C@@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1 0.0 287.9293 4.37 4.37 0 16 0.0 226.9953 3.46 3.46 0 32 0.0 84.9974 2.88 2.88 0 11 0.0 113.0223 5.58 5.58 0 185 0.0 84.9947 7.02 7.02 0 201 0.0 85.0062 5.97 5.97 0 11 0.0 84.9974 1.06 1.06 0 11 0.0 104.0329 1.32 1.32 0 123 318836.41000000003 194.8909 5.46 5.46 0 21 0.0 84.994 5.77 5.77 0 11 0.0 133.012 6.81 6.81 0 28 0.0 133.0125 7.41 7.41 0 28 0.0 245.043 7.8 7.8 0 56 0.0 179.0548 5.59 5.59 0 14 GLUCOSE C([C@@H]1[C@H]([C@@H]([C@H](C(O)O1)O)O)O)O "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1" 0.0 191.0196 9.85 9.85 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9943 6.49 6.49 0 11 0.0 133.012 7.23 7.23 0 28 0.0 163.0238 2.51 2.51 0 65 0.0 104.0294 2.45 2.45 0 118 0.0 191.0178 3.9 3.9 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 84.9943 4.17 4.17 0 11 0.0 315.0817 6.71 6.71 0 219 0.0 186.0394 1.85 1.85 0 82 246806.1 204.0021 2.45 2.45 0 147 0.0 84.996 2.39 2.39 0 11 0.0 267.0284 0.88 0.88 0 30 0.0 393.1749 2.58 2.58 0 109 0.0 191.018 6.71 6.71 0 6 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 274.0906 3.13 3.13 0 211 0.0 85.006 1.96 1.96 0 11 0.0 104.0272 3.76 3.76 0 134 0.0 104.0328 3.27 3.27 0 191 0.0 84.9976 4.58 4.58 0 11 0.0 93.0077 1.01 1.01 0 43 0.0 191.019 6.82 6.82 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 104.0282 3.75 3.75 0 134 0.0 141.0183 0.66 0.66 0 17 0.0 133.0123 8.38 8.38 0 28 272435.15 449.1177 2.83 2.83 0 29 0.0 191.0181 11.41 11.41 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 85.0117 7.97 7.97 0 11 0.0 227.0764 4.94 4.94 0 14 D-Mannitol OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1" 0.0 255.8209 6.26 6.26 0 89 0.0 104.0311 3.48 3.48 0 85 0.0 158.9778 10.99 10.99 0 52 0.0 85.0085 3.24 3.24 0 11 0.0 191.018 6.82 6.82 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.01 3.32 3.32 0 33 314674.965 146.954 4.02 4.02 0 87 0.0 85.0001 4.1 4.1 0 11 0.0 103.0056 3.39 3.39 0 33 0.0 84.9975 1.19 1.19 0 71 0.0 683.2252 6.51 6.51 0 14 0.0 211.0079 9.14 9.14 0 96 0.0 269.958 10.99 10.99 0 36 0.0 237.0787 3.87 3.87 0 81 0.0 191.0178 11.65 11.65 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 84.9974 3.79 3.79 0 182 0.0 191.0195 6.31 6.31 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 279.0375 2.9 2.9 0 24 0.0 225.0607 5.2 5.2 0 14 L-Glucose O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1 0.0 355.0662 6.32 6.32 0 4 Massbank:PR309201 Coumaroyl + C6H9O8 (isomer of 843, 844, 846) O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=CC1=CC=C(O)C=C1 1S/C15H16O10/c16-8-4-1-7(2-5-8)3-6-9(17)25-13(15(23)24)11(19)10(18)12(20)14(21)22/h1-6,10-13,16,18-20H,(H,21,22)(H,23,24) 0.0 103.0151 1.53 1.53 0 37 0.0 131.0439 6.82 6.82 0 29 L-asparagine CollisionEnergy:102040 N=C(O)C[C@H](N)C(=O)O "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" 0.0 118.0486 6.19 6.19 0 127 0.0 192.9977 8.66 8.66 0 2 745809.7 172.0843 0.93 0.93 0 122 207410.445 371.1096 4.94 4.94 0 29 0.0 193.0059 10.76 10.76 0 2 0.0 163.0239 2.78 2.78 0 65 0.0 192.0212 9.86 9.86 0 168 0.0 84.9976 6.08 6.08 0 11 519428.65 84.0014 4.94 4.94 0 96 0.0 211.0077 8.0 8.0 0 96 0.0 84.9942 2.73 2.73 0 11 0.0 133.0119 4.32 4.32 0 28 0.0 192.0211 10.02 10.02 0 168 0.0 131.0451 6.82 6.82 0 29 L-asparagine CollisionEnergy:102040 N=C(O)C[C@H](N)C(=O)O "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" 0.0 133.0122 6.21 6.21 0 28 0.0 310.9472 2.99 2.99 0 92 0.0 341.11 6.5 6.5 0 14 SUCROSE OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" 0.0 219.013 1.1 1.1 0 32 0.0 84.9996 1.32 1.32 0 11 0.0 84.9936 1.12 1.12 0 11 0.0 96.9674 6.29 6.29 0 21 0.0 310.9457 0.77 0.77 0 92 0.0 169.9793 4.32 4.32 0 93 0.0 161.0432 5.2 5.2 0 60 0.0 153.867 6.27 6.27 0 47 0.0 85.0 6.13 6.13 0 11 0.0 117.0181 1.61 1.61 0 38 0.0 113.0337 6.82 6.82 0 99 0.0 133.0125 10.11 10.11 0 28 0.0 214.8793 4.37 4.37 0 16 0.0 84.9954 3.78 3.78 0 11 0.0 104.0321 6.85 6.85 0 121 388316.845 242.1583 0.67 0.67 0 122 0.0 104.0295 4.16 4.16 0 46 0.0 101.0223 5.58 5.58 0 114 0.0 85.0 7.2 7.2 0 11 0.0 103.0124 3.82 3.82 0 33 0.0 133.0126 7.0 7.0 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 84.9975 1.58 1.58 0 11 0.0 245.8929 4.36 4.36 0 87 0.0 172.0951 1.81 1.81 0 17 0.0 85.0117 3.64 3.64 0 207 0.0 191.0178 5.29 5.29 0 41 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 313.1138 5.84 5.84 0 14 0.0 112.9841 10.73 10.73 0 18 0.0 191.0265 10.23 10.23 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 333169.24 449.1177 2.68 2.68 0 29 0.0 84.9957 10.08 10.08 0 11 0.0 132.0473 6.82 6.82 0 29 0.0 191.0192 10.81 10.81 0 6 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 133.0177 10.01 10.01 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 216.0229 6.82 6.82 0 29 0.0 204.0157 2.45 2.45 0 36 0.0 104.0295 1.62 1.62 0 123 0.0 192.9977 9.55 9.55 0 195 0.0 84.9956 5.93 5.93 0 67 0.0 142.049 3.39 3.39 0 17 0.0 195.811 6.35 6.35 0 5 0.0 84.9997 7.68 7.68 0 11 0.0 84.9941 1.37 1.37 0 198 0.0 240.9015 4.37 4.37 0 87 0.0 84.9976 1.32 1.32 0 11 0.0 186.0385 3.01 3.01 0 17 0.0 205.0343 7.24 7.24 0 80 0.0 84.9941 5.38 5.38 0 11 0.0 164.8354 6.32 6.32 0 47 0.0 191.018 3.46 3.46 0 78 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 205.0344 10.03 10.03 0 80 0.0 209.0293 10.05 10.05 0 4 GALACTARIC ACID [C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-" 0.0 195.8109 6.26 6.26 0 5 0.0 85.0057 6.87 6.87 0 11 0.0 85.0263 4.52 4.52 0 11 0.0 192.9978 9.73 9.73 0 146 0.0 191.0173 4.09 4.09 0 41 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 103.0054 3.9 3.9 0 33 0.0 310.9459 3.75 3.75 0 92 0.0 161.0433 2.15 2.15 0 8 0.0 205.0339 3.38 3.38 0 80 0.0 192.9977 6.62 6.62 0 2 0.0 84.9976 0.97 0.97 0 11 0.0 84.9976 10.96 10.96 0 234 0.0 175.0589 3.22 3.22 0 49 0.0 96.9585 11.26 11.26 0 21 0.0 142.0498 3.01 3.01 0 17 0.0 85.0118 6.2 6.2 0 11 0.0 269.0861 7.2 7.2 0 14 0.0 104.0272 1.43 1.43 0 123 0.0 163.0238 2.22 2.22 0 65 982477.92 245.0251 8.16 8.16 0 29 0.0 163.0238 2.92 2.92 0 65 0.0 243.0611 2.9 2.9 0 24 uridine CollisionEnergy:102040 O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1" 0.0 188.0536 2.69 2.69 0 48 N-Acetyl-DL-glutamic acid - 40.0 eV CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) 0.0 104.033 6.31 6.31 0 127 0.0 85.0 11.95 11.95 0 11 0.0 174.9627 11.85 11.85 0 52 0.0 195.9052 4.36 4.36 0 16 0.0 243.8989 4.37 4.37 0 87 0.0 191.0177 2.91 2.91 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 192.9977 6.21 6.21 0 2 0.0 85.012 4.25 4.25 0 11 0.0 267.0707 7.24 7.24 0 109 0.0 351.1289 3.39 3.39 0 49 0.0 310.9461 1.67 1.67 0 92 0.0 85.0056 5.57 5.57 0 11 0.0 289.0666 2.9 2.9 0 24 3083-77-0 O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1 0.0 84.9998 10.44 10.44 0 11 0.0 159.978 10.99 10.99 0 52 0.0 310.9468 0.99 0.99 0 92 0.0 206.0808 2.15 2.15 0 17 N-Acetyl-DL-phenylalanine CC(=O)NC(Cc1ccccc1)C(=O)O "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)" 0.0 380.8429 4.83 4.83 0 161 0.0 192.9975 11.16 11.16 0 2 0.0 129.018 4.52 4.52 0 33 0.0 310.9472 2.34 2.34 0 92 0.0 201.801 6.26 6.26 0 5 0.0 264.9133 4.37 4.37 0 16 0.0 267.0717 7.23 7.23 0 109 0.0 84.9975 3.37 3.37 0 11 0.0 285.0813 6.82 6.82 0 29 0.0 245.0912 2.91 2.91 0 74 N-ACETYLTRYPTOPHAN CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1" 0.0 192.9977 9.33 9.33 0 2 0.0 245.0921 2.92 2.92 0 74 N-ACETYLTRYPTOPHAN C/C(=N/C(CC1=CNC2=C1C=CC=C2)C(=O)O)/O "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)" 0.0 175.0607 3.39 3.39 0 49 0.0 193.0052 9.66 9.66 0 2 0.0 96.968 9.99 9.99 0 21 0.0 104.0275 4.83 4.83 0 154 0.0 103.0135 3.21 3.21 0 33 0.0 85.0058 3.72 3.72 0 11 0.0 211.0076 6.46 6.46 0 96 0.0 579.1708 2.92 2.92 0 74 0.0 133.0124 8.78 8.78 0 28 L-(?)-Malic acid - 40.0 eV C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 0.0 99.0066 3.46 3.46 0 10 0.0 84.9941 3.75 3.75 0 182 0.0 84.9997 9.27 9.27 0 117 0.0 579.173 2.92 2.92 0 74 0.0 192.9977 9.43 9.43 0 146 0.0 193.0047 9.26 9.26 0 2 0.0 114.9868 10.99 10.99 0 181 0.0 632.7269 4.83 4.83 0 161 0.0 115.9186 5.48 5.48 0 86 0.0 84.9982 9.52 9.52 0 11 0.0 85.0119 6.09 6.09 0 11 0.0 192.9977 10.79 10.79 0 2 0.0 84.9945 3.31 3.31 0 11 0.0 84.9955 9.05 9.05 0 94 35296.4025 96.9609 9.58 9.58 0 21 0.0 175.0453 7.24 7.24 0 12 ALLANTOIC ACID C(C(=O)O)(NC(=N)O)NC(=N)O "InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)" 0.0 84.9941 1.9 1.9 0 11 0.0 205.0122 2.44 2.44 0 36 0.0 310.9474 2.84 2.84 0 92 0.0 112.9841 7.13 7.13 0 99 0.0 85.0056 3.03 3.03 0 207 0.0 261.0852 3.58 3.58 0 74 0.0 225.0595 5.19 5.19 0 14 alpha-D-glucose OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 0.0 85.0059 4.12 4.12 0 97 0.0 96.958 6.67 6.67 0 21 0.0 193.0051 8.87 8.87 0 2 0.0 197.8079 6.35 6.35 0 5 0.0 386.9374 10.99 10.99 0 36 0.0 103.0132 4.28 4.28 0 33 0.0 176.0622 3.39 3.39 0 49 0.0 85.006 3.55 3.55 0 11 0.0 141.0185 1.07 1.07 0 76 0.0 84.9976 4.42 4.42 0 11 0.0 201.0877 7.0 7.0 0 45 0.0 84.9976 5.05 5.05 0 11 0.0 179.0537 5.2 5.2 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 84.9957 9.86 9.86 0 11 0.0 310.9468 2.52 2.52 0 92 0.0 315.081 6.71 6.71 0 219 0.0 195.0497 7.42 7.42 0 4 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 191.0183 0.55 0.55 0 6 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 0.0 214.048 7.42 7.42 0 56 0.0 193.0056 10.34 10.34 0 2 0.0 223.064 3.95 3.95 0 81 0.0 163.024 1.59 1.59 0 65 0.0 143.0335 5.59 5.59 0 164 0.0 449.1068 4.48 4.48 0 56 Hovetrichoside C O=C1c2c(cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC1(O)Cc1ccc(O)cc1 InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21?/m1/s1 0.0 201.0866 7.0 7.0 0 45 0.0 85.012 2.84 2.84 0 11 0.0 173.007 3.46 3.46 0 32 DEHYDROASCORBIC ACID - 40.0 eV C(C(C1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2 0.0 103.0137 1.16 1.16 0 1 0.0 193.0052 9.51 9.51 0 195 0.0 161.0443 1.97 1.97 0 8 MEGLUTOL CollisionEnergy:205060 CC(O)(CC(=O)O)CC(=O)O "InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)" 0.0 85.0056 2.84 2.84 0 11 0.0 85.0117 7.51 7.51 0 11 0.0 85.0058 1.23 1.23 0 11 0.0 431.1181 2.57 2.57 0 122 Licoagroside B Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1 InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1 0.0 223.0625 4.18 4.18 0 81 0.0 191.019 6.71 6.71 0 39 Citric acid nan "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 100.0384 3.01 3.01 0 201 0.0 191.0192 4.36 4.36 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 109.9976 1.59 1.59 0 70 0.0 96.9678 10.07 10.07 0 21 0.0 173.0547 6.28 6.28 0 48 0.0 84.9939 3.95 3.95 0 11 0.0 191.0175 4.19 4.19 0 41 citric acid (Chimeric precursor selection) O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 661325.62 187.0831 0.76 0.76 0 122 AZELAIC ACID O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) 0.0 85.0 9.76 9.76 0 96 0.0 241.8975 4.37 4.37 0 16 468587.92 245.0251 7.49 7.49 0 29 0.0 85.0059 9.15 9.15 0 11 0.0 241.8982 4.37 4.37 0 16 0.0 89.0225 1.39 1.39 0 86 0.0 84.9975 4.23 4.23 0 11 0.0 146.0442 6.3 6.3 0 74 2-acetamido-3-hydroxypropanoic acid CollisionEnergy:102040 CC(O)=NC(CO)C(=O)O "InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)" 0.0 226.9959 3.46 3.46 0 32 0.0 103.0118 3.42 3.42 0 33 0.0 84.9988 5.97 5.97 0 67 0.0 103.0155 2.29 2.29 0 1 0.0 84.994 6.34 6.34 0 11 0.0 219.0141 1.11 1.11 0 32 0.0 205.0339 4.36 4.36 0 80 0.0 192.9977 6.1 6.1 0 2 0.0 192.9978 7.65 7.65 0 2 0.0 179.055 5.2 5.2 0 14 Spectral Match to D-(+)-Mannose from NIST14 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 0.0 104.0294 3.43 3.43 0 85 0.0 101.0223 5.2 5.2 0 114 0.0 84.9976 2.09 2.09 0 11 0.0 181.0697 4.95 4.95 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 459.3466 0.55 0.55 0 107 0.0 96.9585 10.91 10.91 0 21 0.0 201.8009 6.36 6.36 0 5 0.0 384.1159 6.51 6.51 0 14 1732545.3 186.0991 0.85 0.85 0 122 0.0 192.9978 8.17 8.17 0 2 0.0 133.0121 8.56 8.56 0 28 0.0 115.0016 6.71 6.71 0 10 0.0 335.0593 7.23 7.23 0 109 54830.2775 181.0714 4.94 4.94 0 14 Sorbitol OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 0.0 85.012 3.9 3.9 0 11 0.0 205.0345 6.31 6.31 0 80 0.0 84.9977 0.39 0.39 0 11 0.0 191.0193 10.04 10.04 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 191.0269 10.21 10.21 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 199.8045 6.26 6.26 0 5 0.0 84.9941 3.62 3.62 0 117 0.0 174.9556 11.76 11.76 0 52 0.0 84.994 3.47 3.47 0 11 326387.455 134.8834 5.08 5.08 0 155 0.0 104.0271 6.97 6.97 0 121 0.0 359.1188 5.83 5.83 0 14 0.0 85.999 5.88 5.88 0 31 0.0 104.0201 1.05 1.05 0 101 0.0 100.9315 6.51 6.51 0 114 4913626.5 112.976 5.88 5.88 0 120 0.0 84.9972 4.14 4.14 0 11 0.0 297.077 0.59 0.59 0 30 0.0 191.018 6.5 6.5 0 39 CITRIC ACID C(C(=O)O)C(CC(=O)O)(C(=O)O)O "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" 0.0 103.0026 3.36 3.36 0 33 267641.69 173.0683 0.81 0.81 0 122 0.0 104.0293 3.74 3.74 0 134 0.0 197.8073 0.15 0.15 0 5 0.0 85.012 2.61 2.61 0 11 0.0 112.9839 6.45 6.45 0 18 0.0 85.0 11.61 11.61 0 11 0.0 93.0078 1.28 1.28 0 43 0.0 84.9956 5.31 5.31 0 11 0.0 85.012 2.43 2.43 0 34 0.0 187.0228 3.92 3.92 0 122 0.0 104.0273 3.12 3.12 0 134 0.0 272.9594 10.99 10.99 0 36 0.0 103.0082 3.44 3.44 0 33 0.0 104.0271 4.93 4.93 0 26 0.0 85.0118 5.8 5.8 0 11 0.0 104.0294 5.04 5.04 0 154 0.0 161.0434 5.59 5.59 0 60 0.0 145.0601 6.72 6.72 0 29 Spectral Match to L-Glutamine from NIST14 nan nan 0.0 111.987 10.99 10.99 0 181 0.0 103.0133 2.63 2.63 0 33 0.0 250.0715 2.17 2.17 0 112 0.0 84.9977 2.46 2.46 0 117 0.0 192.9976 10.9 10.9 0 2 0.0 84.994 4.25 4.25 0 11 0.0 104.0321 4.25 4.25 0 46 0.0 134.8927 6.28 6.28 0 13 0.0 192.9969 5.53 5.53 0 2 0.0 85.0084 3.01 3.01 0 11 0.0 143.0523 3.01 3.01 0 17 0.0 245.0419 8.55 8.55 0 29 0.0 192.9976 6.45 6.45 0 146 0.0 143.0335 5.2 5.2 0 164 0.0 84.9981 7.51 7.51 0 11 0.0 103.013 4.91 4.91 0 37 0.0 205.0347 9.85 9.85 0 80 0.0 310.9462 3.41 3.41 0 92 0.0 132.0395 7.24 7.24 0 12 0.0 251.0748 5.53 5.53 0 14 0.0 132.8653 8.06 8.06 0 28 0.0 179.055 4.07 4.07 0 44 0.0 103.0153 3.82 3.82 0 33 0.0 193.0713 4.67 4.67 0 4 Quebrachitol COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 0.0 85.0 6.62 6.62 0 11 0.0 89.0223 5.2 5.2 0 53 0.0 195.0493 7.79 7.79 0 4 1726059 - 40.0 eV C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 0.0 84.9942 4.67 4.67 0 198 0.0 104.02 3.23 3.23 0 191 0.0 133.0124 6.5 6.5 0 28 0.0 216.0865 1.94 1.94 0 211 0.0 85.0082 7.03 7.03 0 11 0.0 133.013 6.71 6.71 0 28 D-malic acid CollisionEnergy:102040 O=C(O)C[C@@H](O)C(=O)O "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1" 0.0 100.9319 5.48 5.48 0 114 -160.056 -160 0.8281 0 716 960 14 Cosine 0.8281 45.99 45 0.8359 0 716 719 14 Cosine 0.8359 45.991 45 0.8309 0 716 739 14 Cosine 0.8309 0.016 0 0.9015 0 716 707 14 Cosine 0.9015 -46.002 -46 0.8425 0 716 709 14 Cosine 0.8425 -45.989 -45 0.8661 0 716 706 14 Cosine 0.8661 4.842 4 0.745 0 629 711 90 Cosine 0.745 -22.019 -22 0.8623 0 711 712 90 Cosine 0.8623 -0.003 0 0.9944 0 147 289 11 Cosine 0.9944 0.001 0 0.9723 0 1305 1294 52 Cosine 0.9723 1.001 1 0.9395 0 1305 1296 52 Cosine 0.9395 -2.999 -2 0.9702 0 1305 1298 52 Cosine 0.9702 0.012 0 0.9904 0 792 400 11 Cosine 0.9904 0.0 0 0.9524 0 1070 917 168 Cosine 0.9524 -0.0 0 0.9627 0 1070 1225 168 Cosine 0.9627 -0.0 0 0.9652 0 1070 1237 168 Cosine 0.9652 -0.007 0 0.9896 0 1038 888 2 Cosine 0.9896 0.007 0 0.9928 0 1038 1111 2 Cosine 0.9928 0.007 0 0.9935 0 1038 1135 2 Cosine 0.9935 0.007 0 0.9894 0 1038 1166 2 Cosine 0.9894 -0.01 0 0.9765 0 909 1243 21 Cosine 0.9765 -0.001 0 0.9814 0 909 1286 21 Cosine 0.9814 -0.01 0 0.9707 0 909 1234 21 Cosine 0.9707 -0.009 0 0.9951 0 909 913 21 Cosine 0.9951 -0.003 0 0.9577 0 909 1210 21 Cosine 0.9577 -0.001 0 0.9798 0 909 1277 21 Cosine 0.9798 -0.001 0 0.9681 0 909 1313 21 Cosine 0.9681 -0.003 0 0.9906 0 412 518 207 Cosine 0.9906 -0.003 0 1.0 0 412 408 207 Cosine 1.0 -0.001 0 0.994 0 1127 1260 2 Cosine 0.994 0.008 0 0.9946 0 1127 1266 2 Cosine 0.9946 -0.001 0 0.9928 0 1127 1219 2 Cosine 0.9928 0.007 0 0.9939 0 1127 1129 2 Cosine 0.9939 -0.008 0 0.9918 0 1127 811 2 Cosine 0.9918 0.0 0 0.9727 0 76 106 1 Cosine 0.9727 -0.001 0 0.9632 0 554 553 122 Cosine 0.9632 244.094 244 0.7328 0 554 320 122 Cosine 0.7328 1.002 1 0.8063 0 554 387 122 Cosine 0.8063 0.001 0 0.9619 0 554 389 122 Cosine 0.9619 2.001 2 0.9696 0 723 426 22 Cosine 0.9696 43.99 43 0.8885 0 203 201 82 Cosine 0.8885 -1.996 -1 0.9651 0 938 939 5 Cosine 0.9651 -1.997 -1 0.8163 0 938 894 5 Cosine 0.8163 -0.0 0 0.9913 0 938 895 5 Cosine 0.9913 0.001 0 0.9808 0 918 1074 28 Cosine 0.9808 -0.005 0 0.9636 0 918 1235 28 Cosine 0.9636 0.001 0 0.9745 0 918 954 28 Cosine 0.9745 0.0 0 0.9831 0 918 1000 28 Cosine 0.9831 -0.001 0 0.9665 0 918 808 28 Cosine 0.9665 0.0 0 0.9695 0 918 1027 28 Cosine 0.9695 0.001 0 0.9838 0 918 1046 28 Cosine 0.9838 -0.002 0 0.9892 0 1330 732 11 Cosine 0.9892 0.0 0 0.9933 0 1330 1275 11 Cosine 0.9933 0.0 0 0.9925 0 1330 1325 11 Cosine 0.9925 -0.002 0 0.9871 0 1330 125 11 Cosine 0.9871 0.001 0 0.9443 0 428 393 92 Cosine 0.9443 0.0 0 0.9545 0 428 319 92 Cosine 0.9545 0.001 0 0.9392 0 428 529 92 Cosine 0.9392 0.0 0 0.9137 0 428 75 92 Cosine 0.9137 0.001 0 0.9511 0 428 246 92 Cosine 0.9511 0.001 0 0.9303 0 428 283 92 Cosine 0.9303 -0.0 0 0.9137 0 428 145 92 Cosine 0.9137 0.0 0 0.9276 0 428 475 92 Cosine 0.9276 -0.001 0 0.9464 0 428 41 92 Cosine 0.9464 -0.0 0 0.9243 0 428 174 92 Cosine 0.9243 0.001 0 0.9411 0 428 361 92 Cosine 0.9411 0.004 0 0.9903 0 605 837 11 Cosine 0.9903 0.0 0 0.9886 0 605 1104 11 Cosine 0.9886 -0.0 0 0.9831 0 1288 1279 6 Cosine 0.9831 -0.001 0 0.9698 0 1288 998 6 Cosine 0.9698 -0.002 0 0.9712 0 1288 509 6 Cosine 0.9712 -0.002 0 0.9702 0 1288 439 6 Cosine 0.9702 -0.001 0 0.9745 0 1288 460 6 Cosine 0.9745 -0.001 0 0.9797 0 1288 1287 6 Cosine 0.9797 0.001 0 0.9698 0 1288 1323 6 Cosine 0.9698 -0.001 0 0.9328 0 1031 1030 29 Cosine 0.9328 -45.989 -45 0.7879 0 1031 1142 29 Cosine 0.7879 -0.0 0 0.976 0 287 237 65 Cosine 0.976 0.0 0 0.9803 0 287 157 65 Cosine 0.9803 0.004 0 1.0 0 175 209 131 Cosine 1.0 0.0 0 0.9778 0 790 737 155 Cosine 0.9778 0.038 0 0.9274 0 760 754 185 Cosine 0.9274 -0.038 0 0.8546 0 760 818 185 Cosine 0.8546 42.046 42 0.9595 0 474 608 143 Cosine 0.9595 -0.05 0 0.9063 0 985 1023 99 Cosine 0.9063 -0.0 0 0.8992 0 985 1059 99 Cosine 0.8992 0.015 0 1.0 0 166 164 38 Cosine 1.0 0.008 0 0.9919 0 166 162 38 Cosine 0.9919 0.012 0 0.9842 0 242 781 11 Cosine 0.9842 0.012 0 0.9896 0 242 837 11 Cosine 0.9896 7.982 7 0.7423 0 484 483 32 Cosine 0.7423 -7.982 -7 0.7315 0 484 490 32 Cosine 0.7315 -0.001 0 0.9373 0 659 576 41 Cosine 0.9373 -0.0 0 0.9577 0 659 587 41 Cosine 0.9577 -0.001 0 0.9668 0 659 663 41 Cosine 0.9668 1.997 1 0.8637 0 945 944 89 Cosine 0.8637 -0.0 0 0.9791 0 945 892 89 Cosine 0.9791 -41.957 -41 0.9147 0 945 810 89 Cosine 0.9147 0.0 0 0.9298 0 10 405 203 Cosine 0.9298 -0.005 0 0.9756 0 1224 1235 28 Cosine 0.9756 -0.0 0 0.9788 0 1224 1171 28 Cosine 0.9788 0.0 0 0.9806 0 1224 1249 28 Cosine 0.9806 0.0 0 0.9591 0 1224 1177 28 Cosine 0.9591 -0.001 0 0.9614 0 1224 887 28 Cosine 0.9614 0.0 0 0.9747 0 1224 1231 28 Cosine 0.9747 -0.0 0 0.9693 0 1224 1094 28 Cosine 0.9693 -0.0 0 0.9649 0 1224 1046 28 Cosine 0.9649 -0.001 0 0.9794 0 1224 1068 28 Cosine 0.9794 -0.0 0 0.9786 0 1224 1253 28 Cosine 0.9786 0.014 0 0.9871 0 534 873 11 Cosine 0.9871 0.012 0 0.9853 0 534 1064 11 Cosine 0.9853 -0.004 0 0.9877 0 534 250 11 Cosine 0.9877 0.018 0 0.9853 0 534 584 11 Cosine 0.9853 -0.008 0 0.9947 0 1129 1260 2 Cosine 0.9947 -0.007 0 0.9938 0 1129 1174 2 Cosine 0.9938 -0.007 0 0.9936 0 1129 1195 2 Cosine 0.9936 0.0 0 0.9953 0 1129 1266 2 Cosine 0.9953 0.0 0 0.9935 0 1129 876 2 Cosine 0.9935 -0.008 0 0.9935 0 1129 1274 2 Cosine 0.9935 0.0 0 0.9958 0 1129 1089 2 Cosine 0.9958 -0.001 0 0.9945 0 1129 811 2 Cosine 0.9945 0.0 0 0.9953 0 1129 1284 2 Cosine 0.9953 0.001 0 0.9617 0 498 482 78 Cosine 0.9617 0.0 0 0.9898 0 521 550 33 Cosine 0.9898 0.008 0 0.9866 0 521 328 33 Cosine 0.9866 -0.0 0 0.9717 0 1253 1074 28 Cosine 0.9717 0.005 0 0.9792 0 1253 1235 28 Cosine 0.9792 -0.001 0 0.9775 0 1253 1171 28 Cosine 0.9775 -0.001 0 0.9662 0 1253 954 28 Cosine 0.9662 0.0 0 0.9687 0 1253 1000 28 Cosine 0.9687 -0.001 0 0.9773 0 1253 1249 28 Cosine 0.9773 -0.0 0 0.9832 0 1253 1231 28 Cosine 0.9832 -0.0 0 0.9714 0 1253 1046 28 Cosine 0.9714 -0.001 0 0.9709 0 1253 1068 28 Cosine 0.9709 -0.002 0 1.0 0 80 103 35 Cosine 1.0 0.132 0 0.9042 0 26 22 107 Cosine 0.9042 -0.002 0 0.9918 0 573 1226 11 Cosine 0.9918 0.012 0 0.9918 0 573 526 11 Cosine 0.9918 -0.003 0 0.992 0 573 580 11 Cosine 0.992 -0.003 0 0.9895 0 573 589 11 Cosine 0.9895 28.031 28 0.927 0 22 21 107 Cosine 0.927 -0.005 0 0.9867 0 1099 1051 201 Cosine 0.9867 -0.152 0 0.9701 0 623 621 16 Cosine 0.9701 -0.152 0 0.9732 0 623 622 16 Cosine 0.9732 -22.863 -22 0.7798 0 623 626 16 Cosine 0.7798 -0.15 0 0.9399 0 623 614 16 Cosine 0.9399 -46.145 -46 0.7833 0 623 616 16 Cosine 0.7833 -0.001 0 0.9675 0 439 466 6 Cosine 0.9675 0.001 0 0.9601 0 439 20 6 Cosine 0.9601 -0.002 0 0.9683 0 439 1279 6 Cosine 0.9683 0.0 0 0.9764 0 439 376 6 Cosine 0.9764 -0.0 0 0.959 0 439 549 6 Cosine 0.959 0.0 0 0.9594 0 439 407 6 Cosine 0.9594 0.0 0 0.9678 0 439 509 6 Cosine 0.9678 14.015 14 0.9608 0 585 545 81 Cosine 0.9608 -0.001 0 0.9492 0 585 555 81 Cosine 0.9492 0.0 0 0.9568 0 585 557 81 Cosine 0.9568 0.001 0 0.9648 0 585 586 81 Cosine 0.9648 0.132 0 0.9531 0 908 904 4 Cosine 0.9531 -146.132 -146 0.7972 0 908 930 4 Cosine 0.7972 -0.095 0 0.7258 0 908 1242 4 Cosine 0.7258 -0.001 0 0.9661 0 460 466 6 Cosine 0.9661 -0.001 0 0.9726 0 460 1279 6 Cosine 0.9726 0.0 0 0.9668 0 460 509 6 Cosine 0.9668 -0.0 0 0.9724 0 460 1287 6 Cosine 0.9724 -0.001 0 0.9664 0 460 1323 6 Cosine 0.9664 -0.012 0 0.9887 0 514 473 33 Cosine 0.9887 -0.001 0 0.9859 0 514 432 33 Cosine 0.9859 -0.004 0 0.9899 0 514 450 33 Cosine 0.9899 -0.008 0 0.9899 0 514 453 33 Cosine 0.9899 -0.002 0 0.9913 0 514 476 33 Cosine 0.9913 -0.009 0 0.985 0 514 503 33 Cosine 0.985 0.002 0 0.9854 0 514 539 33 Cosine 0.9854 0.001 0 0.9853 0 514 595 33 Cosine 0.9853 0.001 0 0.9817 0 514 666 33 Cosine 0.9817 -15.995 -15 0.8067 0 1153 906 4 Cosine 0.8067 -15.995 -15 0.7801 0 1153 1009 4 Cosine 0.7801 0.0 0 0.9601 0 1153 1097 4 Cosine 0.9601 -0.0 0 0.9458 0 1153 1117 4 Cosine 0.9458 -0.0 0 0.8172 0 494 532 134 Cosine 0.8172 0.0 0 0.7842 0 494 417 134 Cosine 0.7842 -0.002 0 1.0 0 494 527 134 Cosine 1.0 -0.005 0 0.8612 0 494 524 134 Cosine 0.8612 -0.001 0 0.8612 0 494 528 134 Cosine 0.8612 0.0 0 0.9929 0 1232 1255 39 Cosine 0.9929 -0.007 0 0.9854 0 1232 921 39 Cosine 0.9854 -0.008 0 0.9822 0 1232 994 39 Cosine 0.9822 -0.008 0 0.9853 0 1232 1019 39 Cosine 0.9853 -0.008 0 0.9877 0 1232 1069 39 Cosine 0.9877 -0.007 0 0.9881 0 1232 1222 39 Cosine 0.9881 0.008 0 0.9885 0 1232 1241 39 Cosine 0.9885 -0.001 0 0.9875 0 1232 1248 39 Cosine 0.9875 0.0 0 0.9946 0 1232 1252 39 Cosine 0.9946 -0.001 0 0.9895 0 1232 1256 39 Cosine 0.9895 -0.0 0 0.9248 0 718 852 120 Cosine 0.9248 -16.046 -16 0.9345 0 785 1210 21 Cosine 0.9345 -0.001 0 0.9747 0 252 253 112 Cosine 0.9747 1.003 1 0.7912 0 387 553 122 Cosine 0.7912 1.001 1 0.8187 0 387 389 122 Cosine 0.8187 -0.0 0 0.8001 0 879 343 144 Cosine 0.8001 -2.012 -2 0.7727 0 566 619 87 Cosine 0.7727 -0.018 0 0.7482 0 566 620 87 Cosine 0.7482 -0.0 0 0.9714 0 237 351 65 Cosine 0.9714 0.0 0 0.9454 0 237 84 65 Cosine 0.9454 0.0 0 0.9788 0 237 157 65 Cosine 0.9788 0.0 0 0.9735 0 237 202 65 Cosine 0.9735 0.0 0 0.9639 0 237 316 65 Cosine 0.9639 0.0 0 0.9693 0 237 383 65 Cosine 0.9693 1.002 1 0.849 0 741 708 14 Cosine 0.849 -160.039 -160 0.8886 0 741 961 14 Cosine 0.8886 -0.001 0 0.937 0 741 719 14 Cosine 0.937 2.017 2 0.8493 0 741 750 14 Cosine 0.8493 -132.043 -132 0.8309 0 741 844 14 Cosine 0.8309 -0.001 0 0.9599 0 741 739 14 Cosine 0.9599 -0.013 0 0.9585 0 741 709 14 Cosine 0.9585 -70.004 -70 0.8355 0 741 807 14 Cosine 0.8355 0.0 0 0.9686 0 741 706 14 Cosine 0.9686 0.002 0 0.988 0 515 240 11 Cosine 0.988 0.004 0 0.9896 0 515 126 11 Cosine 0.9896 -0.002 0 0.9872 0 515 347 11 Cosine 0.9872 -0.004 0 0.9893 0 515 577 11 Cosine 0.9893 0.008 0 0.9961 0 1266 1260 2 Cosine 0.9961 0.008 0 0.995 0 1266 1195 2 Cosine 0.995 -0.0 0 0.994 0 1266 811 2 Cosine 0.994 0.001 0 0.9942 0 1266 876 2 Cosine 0.9942 0.0 0 0.9944 0 1266 1011 2 Cosine 0.9944 0.001 0 0.995 0 1266 1089 2 Cosine 0.995 0.008 0 0.994 0 1266 1213 2 Cosine 0.994 0.008 0 0.9947 0 1266 1219 2 Cosine 0.9947 -0.001 0 0.9943 0 1266 1278 2 Cosine 0.9943 -104.04 -104 0.8875 0 771 980 29 Cosine 0.8875 -0.0 0 0.9938 0 1219 1260 2 Cosine 0.9938 -0.009 0 0.9916 0 1219 811 2 Cosine 0.9916 -0.008 0 0.9938 0 1219 1011 2 Cosine 0.9938 0.0 0 0.9842 0 311 513 117 Cosine 0.9842 0.004 0 0.9874 0 311 306 117 Cosine 0.9874 -0.006 0 0.9896 0 311 1196 117 Cosine 0.9896 -0.004 0 0.9938 0 1275 1226 11 Cosine 0.9938 -0.006 0 0.9928 0 1275 210 11 Cosine 0.9928 0.006 0 0.9942 0 1275 526 11 Cosine 0.9942 -0.003 0 0.9942 0 1275 580 11 Cosine 0.9942 0.012 0 0.992 0 1275 838 11 Cosine 0.992 0.012 0 0.9939 0 1275 1105 11 Cosine 0.9939 -0.0 0 0.9919 0 1275 1264 11 Cosine 0.9919 0.003 0 0.9884 0 453 456 33 Cosine 0.9884 0.0 0 0.9892 0 453 471 33 Cosine 0.9892 0.003 0 0.9939 0 453 473 33 Cosine 0.9939 -0.006 0 0.9959 0 453 476 33 Cosine 0.9959 -0.007 0 0.993 0 453 539 33 Cosine 0.993 0.008 0 0.9927 0 453 432 33 Cosine 0.9927 0.004 0 1.0 0 453 450 33 Cosine 1.0 -0.002 0 0.9892 0 453 480 33 Cosine 0.9892 -0.007 0 0.9961 0 453 595 33 Cosine 0.9961 97.951 97 0.9309 0 782 1210 21 Cosine 0.9309 0.021 0 0.9934 0 782 794 21 Cosine 0.9934 4.0 4 0.937 0 1298 1296 52 Cosine 0.937 -18.978 -18 0.9562 0 1298 1329 52 Cosine 0.9562 -18.985 -18 0.9534 0 1298 1333 52 Cosine 0.9534 3.0 3 0.9628 0 1298 1294 52 Cosine 0.9628 0.009 0 0.9585 0 1277 1243 21 Cosine 0.9585 0.0 0 0.9911 0 1277 1286 21 Cosine 0.9911 0.009 0 0.9351 0 1277 1234 21 Cosine 0.9351 0.009 0 0.9746 0 1277 913 21 Cosine 0.9746 0.002 0 0.9776 0 1277 1210 21 Cosine 0.9776 0.0 0 0.9908 0 1277 1313 21 Cosine 0.9908 -0.0 0 0.9029 0 86 158 70 Cosine 0.9029 0.0 0 0.8886 0 1247 612 80 Cosine 0.8886 0.001 0 0.9237 0 1247 927 80 Cosine 0.9237 0.0 0 0.8972 0 1247 459 80 Cosine 0.8972 0.0 0 0.9375 0 1247 1071 80 Cosine 0.9375 0.001 0 0.9481 0 1247 1221 80 Cosine 0.9481 0.0 0 0.9464 0 1247 1238 80 Cosine 0.9464 -6.921 -6 0.8906 0 869 911 31 Cosine 0.8906 -0.007 0 1.0 0 869 853 31 Cosine 1.0 0.0 0 0.9602 0 869 340 31 Cosine 0.9602 42.048 42 0.8949 0 429 323 109 Cosine 0.8949 84.055 84 0.7935 0 429 1067 109 Cosine 0.7935 -0.005 0 0.9738 0 1231 1235 28 Cosine 0.9738 -0.0 0 0.9721 0 1231 1171 28 Cosine 0.9721 -0.0 0 0.9587 0 1231 954 28 Cosine 0.9587 0.0 0 0.9737 0 1231 1249 28 Cosine 0.9737 0.0 0 0.9588 0 1231 1261 28 Cosine 0.9588 -0.0 0 0.9643 0 1231 1046 28 Cosine 0.9643 -0.001 0 0.9674 0 1231 1068 28 Cosine 0.9674 -0.0 0 0.9615 0 1231 1094 28 Cosine 0.9615 -6.927 -6 0.8906 0 911 853 31 Cosine 0.8906 -0.002 0 1.0 0 761 704 26 Cosine 1.0 -30.01 -30 0.7637 0 489 492 32 Cosine 0.7637 -160.04 -160 0.8429 0 960 707 14 Cosine 0.8429 -27.998 -27 0.8824 0 960 843 14 Cosine 0.8824 46.006 46 0.9083 0 960 961 14 Cosine 0.9083 -296.109 -296 0.9475 0 960 962 14 Cosine 0.9475 3.0 3 0.9169 0 960 963 14 Cosine 0.9169 -0.001 0 0.9775 0 466 376 6 Cosine 0.9775 -0.001 0 0.9644 0 466 407 6 Cosine 0.9644 0.001 0 0.9708 0 466 509 6 Cosine 0.9708 -0.001 0 0.9704 0 466 1279 6 Cosine 0.9704 0.0 0 0.9744 0 466 1287 6 Cosine 0.9744 0.0 0 0.9741 0 466 1323 6 Cosine 0.9741 -16.989 -16 0.7797 0 1304 1300 36 Cosine 0.7797 -19.99 -19 0.7856 0 1304 1301 36 Cosine 0.7856 42.049 42 0.9149 0 358 807 14 Cosine 0.9149 0.0 0 0.8843 0 754 818 185 Cosine 0.8843 -0.008 0 0.9914 0 676 1188 11 Cosine 0.9914 -0.0 0 0.9914 0 676 93 11 Cosine 0.9914 0.003 0 0.9923 0 676 577 11 Cosine 0.9923 -0.002 0 0.9934 0 676 546 11 Cosine 0.9934 -0.001 0 0.994 0 676 1208 11 Cosine 0.994 -0.004 0 0.9919 0 676 102 11 Cosine 0.9919 -0.003 0 0.9952 0 676 1037 11 Cosine 0.9952 0.003 0 0.9887 0 473 471 33 Cosine 0.9887 0.011 0 0.9895 0 473 432 33 Cosine 0.9895 0.007 0 0.9939 0 473 450 33 Cosine 0.9939 -0.009 0 0.9927 0 473 476 33 Cosine 0.9927 -0.006 0 0.9887 0 473 480 33 Cosine 0.9887 -0.01 0 0.9909 0 473 539 33 Cosine 0.9909 -0.011 0 0.9901 0 473 595 33 Cosine 0.9901 -0.011 0 0.9892 0 473 666 33 Cosine 0.9892 0.0 0 0.9264 0 1120 16 28 Cosine 0.9264 -0.001 0 0.9233 0 1120 468 28 Cosine 0.9233 -0.001 0 0.9339 0 1120 601 28 Cosine 0.9339 0.0 0 0.927 0 1282 16 28 Cosine 0.927 -0.001 0 0.9324 0 1282 601 28 Cosine 0.9324 -0.001 0 0.9575 0 1261 1016 28 Cosine 0.9575 0.005 0 0.967 0 1261 1235 28 Cosine 0.967 -0.0 0 0.9638 0 1261 1249 28 Cosine 0.9638 0.0 0 0.9514 0 1261 1177 28 Cosine 0.9514 -0.001 0 0.9615 0 1261 1068 28 Cosine 0.9615 67.983 67 0.9467 0 857 856 51 Cosine 0.9467 -0.003 0 0.9927 0 289 1293 11 Cosine 0.9927 -0.0 0 0.9912 0 289 1181 11 Cosine 0.9912 -0.0 0 0.9944 0 289 1044 11 Cosine 0.9944 0.0 0 0.991 0 289 1332 11 Cosine 0.991 0.011 0 0.9947 0 289 250 11 Cosine 0.9947 -0.015 0 0.9952 0 289 362 11 Cosine 0.9952 -0.002 0 0.9929 0 289 1112 11 Cosine 0.9929 -46.003 -46 0.8481 0 980 1142 29 Cosine 0.8481 -0.012 0 0.7153 0 980 1030 29 Cosine 0.7153 -46.003 -46 0.8816 0 980 1102 29 Cosine 0.8816 250.095 250 0.7567 0 980 336 29 Cosine 0.7567 250.095 250 0.7387 0 980 359 29 Cosine 0.7387 -0.015 0 0.9936 0 53 263 11 Cosine 0.9936 -0.012 0 0.989 0 53 115 11 Cosine 0.989 0.001 0 0.9777 0 1121 1119 56 Cosine 0.9777 -88.018 -88 0.8917 0 1121 1223 56 Cosine 0.8917 0.0 0 0.9911 0 1122 1310 2 Cosine 0.9911 0.0 0 0.9907 0 1122 1199 2 Cosine 0.9907 0.0 0 0.9917 0 1122 1111 2 Cosine 0.9917 0.0 0 0.993 0 1122 1135 2 Cosine 0.993 0.005 0 0.8191 0 524 532 134 Cosine 0.8191 -0.005 0 0.7682 0 524 417 134 Cosine 0.7682 0.003 0 0.8612 0 524 527 134 Cosine 0.8612 0.004 0 1.0 0 524 528 134 Cosine 1.0 -20.049 -20 0.7689 0 1008 299 36 Cosine 0.7689 0.003 0 0.9723 0 121 357 1 Cosine 0.9723 0.002 0 0.9742 0 121 560 1 Cosine 0.9742 0.0 0 0.9327 0 739 719 14 Cosine 0.9327 2.016 2 0.8371 0 739 750 14 Cosine 0.8371 0.002 0 0.9526 0 739 706 14 Cosine 0.9526 -0.012 0 0.9441 0 739 709 14 Cosine 0.9441 -70.005 -70 0.8409 0 739 807 14 Cosine 0.8409 -0.001 0 0.9409 0 799 1286 21 Cosine 0.9409 0.0 0 0.9728 0 799 990 21 Cosine 0.9728 -0.0 0 0.9891 0 202 157 65 Cosine 0.9891 -0.135 0 0.9883 0 914 901 13 Cosine 0.9883 0.0 0 0.9916 0 1192 1143 2 Cosine 0.9916 -1.001 -1 0.8642 0 708 706 14 Cosine 0.8642 1.015 1 0.8452 0 708 709 14 Cosine 0.8452 1.003 1 0.8274 0 708 719 14 Cosine 0.8274 -160.055 -160 0.7479 0 965 712 90 Cosine 0.7479 0.0 0 0.9691 0 407 376 6 Cosine 0.9691 -0.0 0 0.9672 0 464 1138 28 Cosine 0.9672 -0.147 0 0.9328 0 464 468 28 Cosine 0.9328 1.997 1 0.8744 0 941 940 57 Cosine 0.8744 0.002 0 0.9483 0 670 668 4 Cosine 0.9483 14.016 14 0.8399 0 670 1009 4 Cosine 0.8399 -43.954 -43 0.8093 0 810 944 89 Cosine 0.8093 -41.957 -41 0.9192 0 810 892 89 Cosine 0.9192 0.0 0 0.9139 0 823 757 53 Cosine 0.9139 -1.032 -1 0.7148 0 58 398 17 Cosine 0.7148 0.0 0 0.8806 0 58 33 17 Cosine 0.8806 -1.031 -1 0.7463 0 58 461 17 Cosine 0.7463 -0.0 0 0.951 0 280 29 30 Cosine 0.951 46.008 46 0.8754 0 280 24 30 Cosine 0.8754 0.002 0 0.9659 0 389 553 122 Cosine 0.9659 -0.925 0 0.7432 0 389 51 122 Cosine 0.7432 0.059 0 0.7411 0 389 39 122 Cosine 0.7411 -0.007 0 0.9919 0 164 162 38 Cosine 0.9919 14.016 14 0.7527 0 422 337 48 Cosine 0.7527 14.017 14 0.7901 0 422 338 48 Cosine 0.7901 0.983 0 0.7681 0 422 900 48 Cosine 0.7681 -0.001 0 0.9585 0 338 337 48 Cosine 0.9585 -0.005 0 0.9654 0 1177 1235 28 Cosine 0.9654 0.0 0 0.9635 0 1177 1249 28 Cosine 0.9635 -0.001 0 0.9485 0 1177 887 28 Cosine 0.9485 -0.001 0 0.9606 0 1177 1068 28 Cosine 0.9606 -0.0 0 0.9575 0 1177 1094 28 Cosine 0.9575 -0.001 0 0.9642 0 1074 808 28 Cosine 0.9642 -0.0 0 0.98 0 1074 954 28 Cosine 0.98 0.0 0 0.9872 0 1074 1000 28 Cosine 0.9872 0.0 0 0.9724 0 1074 1027 28 Cosine 0.9724 0.0 0 0.9779 0 1074 1046 28 Cosine 0.9779 0.0 0 0.9612 0 1074 1171 28 Cosine 0.9612 0.0 0 0.9441 0 246 393 92 Cosine 0.9441 0.001 0 0.9397 0 246 319 92 Cosine 0.9397 0.002 0 0.9367 0 246 529 92 Cosine 0.9367 -0.001 0 0.9182 0 246 75 92 Cosine 0.9182 -0.002 0 0.9351 0 246 41 92 Cosine 0.9351 -0.001 0 0.908 0 246 145 92 Cosine 0.908 0.0 0 0.9452 0 246 283 92 Cosine 0.9452 0.0 0 0.934 0 246 361 92 Cosine 0.934 0.001 0 0.9201 0 246 475 92 Cosine 0.9201 0.0 0 0.9281 0 16 1152 28 Cosine 0.9281 0.001 0 0.9297 0 16 468 28 Cosine 0.9297 0.001 0 0.9564 0 16 601 28 Cosine 0.9564 3.986 3 0.8579 0 934 895 5 Cosine 0.8579 0.001 0 0.9736 0 575 574 44 Cosine 0.9736 0.001 0 0.9625 0 204 201 82 Cosine 0.9625 0.008 0 0.9907 0 1181 221 11 Cosine 0.9907 -0.002 0 0.988 0 1181 290 11 Cosine 0.988 0.014 0 0.991 0 1181 362 11 Cosine 0.991 -0.002 0 0.9888 0 1181 536 11 Cosine 0.9888 -0.004 0 0.988 0 1181 765 11 Cosine 0.988 0.014 0 0.9934 0 1181 875 11 Cosine 0.9934 -0.0 0 0.9904 0 1181 1044 11 Cosine 0.9904 0.002 0 0.9891 0 1181 1112 11 Cosine 0.9891 0.001 0 0.9887 0 610 609 39 Cosine 0.9887 -0.001 0 0.9825 0 610 994 39 Cosine 0.9825 -0.001 0 0.9846 0 610 1019 39 Cosine 0.9846 -0.0 0 0.959 0 808 954 28 Cosine 0.959 -0.001 0 0.9653 0 808 1000 28 Cosine 0.9653 -0.001 0 0.9487 0 808 1027 28 Cosine 0.9487 0.014 0 0.9783 0 981 410 73 Cosine 0.9783 -0.003 0 0.9783 0 981 415 73 Cosine 0.9783 0.0 0 0.987 0 503 471 33 Cosine 0.987 0.008 0 0.9843 0 503 432 33 Cosine 0.9843 0.003 0 0.987 0 503 480 33 Cosine 0.987 -0.0 0 0.9913 0 176 347 11 Cosine 0.9913 -15.995 -15 0.9197 0 454 645 56 Cosine 0.9197 100.052 100 0.7882 0 454 1223 56 Cosine 0.7882 0.014 0 0.9942 0 1044 362 11 Cosine 0.9942 0.0 0 0.99 0 1044 1332 11 Cosine 0.99 44.967 44 0.8679 0 686 1052 256 Cosine 0.8679 0.001 0 0.9922 0 796 952 11 Cosine 0.9922 -0.004 0 0.9873 0 796 1112 11 Cosine 0.9873 -0.0 0 0.9918 0 796 1245 11 Cosine 0.9918 0.012 0 0.9898 0 765 505 11 Cosine 0.9898 0.002 0 0.9883 0 765 290 11 Cosine 0.9883 0.003 0 0.988 0 765 369 11 Cosine 0.988 0.0 0 0.9884 0 765 347 11 Cosine 0.9884 0.014 0 0.9866 0 765 440 11 Cosine 0.9866 -0.0 0 0.9884 0 765 556 11 Cosine 0.9884 0.004 0 0.9901 0 765 638 11 Cosine 0.9901 -0.012 0 0.9887 0 765 865 11 Cosine 0.9887 0.018 0 1.0 0 415 410 73 Cosine 1.0 0.147 0 0.936 0 468 1138 28 Cosine 0.936 0.0 0 0.9352 0 468 601 28 Cosine 0.9352 -0.002 0 0.981 0 171 106 1 Cosine 0.981 -0.002 0 0.9673 0 509 1279 6 Cosine 0.9673 0.0 0 0.9707 0 509 376 6 Cosine 0.9707 -0.001 0 0.9755 0 509 1287 6 Cosine 0.9755 -0.001 0 0.9591 0 509 1319 6 Cosine 0.9591 -0.001 0 0.9671 0 509 1323 6 Cosine 0.9671 -0.008 0 0.9963 0 1135 1213 2 Cosine 0.9963 0.0 0 0.9939 0 1135 1278 2 Cosine 0.9939 0.0 0 0.9931 0 1135 876 2 Cosine 0.9931 0.0 0 0.9957 0 1135 1111 2 Cosine 0.9957 -0.007 0 0.993 0 1135 1180 2 Cosine 0.993 -176.055 -176 0.811 0 1072 1075 12 Cosine 0.811 43.007 43 0.8644 0 1072 1079 12 Cosine 0.8644 0.001 0 0.9812 0 1072 1081 12 Cosine 0.9812 -0.998 0 0.866 0 614 617 16 Cosine 0.866 0.002 0 0.9491 0 614 621 16 Cosine 0.9491 0.001 0 0.9682 0 614 622 16 Cosine 0.9682 1.996 1 0.9784 0 614 618 16 Cosine 0.9784 -23.014 -23 0.7912 0 614 626 16 Cosine 0.7912 45.994 45 0.8038 0 614 616 16 Cosine 0.8038 0.0 0 0.9701 0 559 340 31 Cosine 0.9701 0.001 0 0.9029 0 145 529 92 Cosine 0.9029 0.0 0 0.9021 0 145 75 92 Cosine 0.9021 -0.001 0 0.9062 0 145 41 92 Cosine 0.9062 0.0 0 0.9137 0 145 475 92 Cosine 0.9137 -83.961 -83 0.9329 0 691 690 161 Cosine 0.9329 0.002 0 1.0 0 333 301 118 Cosine 1.0 -0.014 0 0.987 0 569 111 71 Cosine 0.987 0.012 0 0.9833 0 220 1257 75 Cosine 0.9833 14.016 14 0.9502 0 555 545 81 Cosine 0.9502 0.0 0 0.9498 0 555 586 81 Cosine 0.9498 0.011 0 0.9912 0 263 1332 11 Cosine 0.9912 -0.001 0 0.9913 0 1256 1255 39 Cosine 0.9913 0.0 0 0.9824 0 1256 1268 39 Cosine 0.9824 -0.009 0 0.9857 0 1256 1069 39 Cosine 0.9857 -0.0 0 0.991 0 1256 1248 39 Cosine 0.991 -0.008 0 0.9916 0 1256 1241 39 Cosine 0.9916 -0.009 0 0.9868 0 1256 1019 39 Cosine 0.9868 -0.008 0 0.9845 0 1256 921 39 Cosine 0.9845 -0.001 0 0.992 0 1256 1252 39 Cosine 0.992 -0.008 0 0.9877 0 1256 1222 39 Cosine 0.9877 -1.997 -1 0.8728 0 944 892 89 Cosine 0.8728 -0.002 0 0.8694 0 819 748 14 Cosine 0.8694 -46.007 -46 0.864 0 819 750 14 Cosine 0.864 -46.006 -46 0.8857 0 819 752 14 Cosine 0.8857 -0.0 0 0.8927 0 819 755 14 Cosine 0.8927 46.006 46 0.8672 0 819 820 14 Cosine 0.8672 46.007 46 0.8692 0 819 824 14 Cosine 0.8692 -44.025 -44 0.8627 0 819 1065 14 Cosine 0.8627 -0.0 0 0.8483 0 264 94 76 Cosine 0.8483 0.0 0 0.9683 0 917 1225 168 Cosine 0.9683 0.0 0 0.9723 0 917 1237 168 Cosine 0.9723 0.002 0 0.9921 0 546 369 11 Cosine 0.9921 -0.002 0 0.9952 0 546 102 11 Cosine 0.9952 -0.004 0 0.9931 0 546 1264 11 Cosine 0.9931 -0.011 0 0.988 0 1229 781 11 Cosine 0.988 0.001 0 0.9726 0 1287 1279 6 Cosine 0.9726 -0.001 0 0.9704 0 1287 376 6 Cosine 0.9704 -0.0 0 0.9752 0 1287 1323 6 Cosine 0.9752 -0.006 0 0.9959 0 1037 1188 11 Cosine 0.9959 0.006 0 0.993 0 1037 813 11 Cosine 0.993 -0.003 0 0.9961 0 1037 93 11 Cosine 0.9961 0.0 0 0.9964 0 1037 577 11 Cosine 0.9964 0.003 0 0.9933 0 1037 1332 11 Cosine 0.9933 0.002 0 0.9986 0 1037 1208 11 Cosine 0.9986 0.008 0 0.9971 0 1037 250 11 Cosine 0.9971 0.026 0 0.9981 0 1037 649 11 Cosine 0.9981 -0.006 0 0.9936 0 1037 837 11 Cosine 0.9936 0.01 0 0.9897 0 325 1183 94 Cosine 0.9897 2.994 2 0.8578 0 618 617 16 Cosine 0.8578 25.024 25 0.7777 0 618 632 16 Cosine 0.7777 -1.994 -1 0.9729 0 618 621 16 Cosine 0.9729 -1.995 -1 0.9731 0 618 622 16 Cosine 0.9731 0.008 0 0.992 0 1332 1188 11 Cosine 0.992 0.003 0 0.99 0 1332 577 11 Cosine 0.99 0.003 0 0.9914 0 1332 880 11 Cosine 0.9914 0.015 0 0.9909 0 1332 362 11 Cosine 0.9909 0.001 0 0.992 0 1332 1208 11 Cosine 0.992 1.997 1 0.9423 0 894 936 5 Cosine 0.9423 -1.997 -1 0.7988 0 894 895 5 Cosine 0.7988 -1.997 -1 0.9442 0 894 893 5 Cosine 0.9442 0.003 0 0.9842 0 435 69 11 Cosine 0.9842 0.007 0 0.9602 0 340 853 31 Cosine 0.9602 -0.0 0 0.9938 0 1334 1195 2 Cosine 0.9938 1.076 1 0.8656 0 789 804 114 Cosine 0.8656 0.986 0 0.8532 0 789 817 114 Cosine 0.8532 0.007 0 0.9907 0 1180 1310 2 Cosine 0.9907 0.007 0 0.9922 0 1180 1278 2 Cosine 0.9922 -0.007 0 0.9917 0 1180 1111 2 Cosine 0.9917 0.01 0 0.9959 0 250 1208 11 Cosine 0.9959 -0.018 0 0.9956 0 250 649 11 Cosine 0.9956 0.009 0 0.9924 0 250 1112 11 Cosine 0.9924 -0.001 0 0.9737 0 357 560 1 Cosine 0.9737 0.001 0 0.9575 0 663 767 41 Cosine 0.9575 -0.001 0 0.9699 0 663 587 41 Cosine 0.9699 -0.018 0 1.0 0 267 296 34 Cosine 1.0 -0.012 0 1.0 0 99 89 101 Cosine 1.0 0.0 0 0.9922 0 1149 526 11 Cosine 0.9922 -0.009 0 0.9919 0 1149 580 11 Cosine 0.9919 0.006 0 0.9899 0 1149 838 11 Cosine 0.9899 0.01 0 0.992 0 1149 1226 11 Cosine 0.992 0.006 0 0.9926 0 1149 1293 11 Cosine 0.9926 86.047 86 0.7432 0 1030 1017 29 Cosine 0.7432 46.006 46 0.8475 0 824 748 14 Cosine 0.8475 -0.0 0 0.9564 0 824 750 14 Cosine 0.9564 0.001 0 0.9775 0 824 752 14 Cosine 0.9775 46.007 46 0.8995 0 824 755 14 Cosine 0.8995 0.001 0 0.9782 0 824 820 14 Cosine 0.9782 -0.0 0 0.9298 0 824 647 14 Cosine 0.9298 0.0 0 0.9708 0 183 222 1 Cosine 0.9708 35.751 35 0.8206 0 898 893 5 Cosine 0.8206 -35.751 -35 0.8368 0 898 936 5 Cosine 0.8368 0.001 0 0.9721 0 1323 1279 6 Cosine 0.9721 -0.001 0 0.9712 0 1323 376 6 Cosine 0.9712 15.996 15 0.9378 0 24 25 30 Cosine 0.9378 1.0 1 0.8496 0 617 621 16 Cosine 0.8496 0.999 0 0.8762 0 617 622 16 Cosine 0.8762 -22.016 -22 0.7189 0 617 626 16 Cosine 0.7189 28.018 28 0.7045 0 617 632 16 Cosine 0.7045 -0.012 0 0.8766 0 40 39 122 Cosine 0.8766 14.027 14 0.8102 0 40 47 122 Cosine 0.8102 0.996 0 0.9054 0 40 51 122 Cosine 0.9054 84.979 84 0.9472 0 1109 600 93 Cosine 0.9472 -84.984 -84 0.962 0 1307 1183 94 Cosine 0.962 -0.004 0 0.9955 0 1293 1226 11 Cosine 0.9955 -0.006 0 0.9939 0 1293 210 11 Cosine 0.9939 0.012 0 0.9926 0 1293 362 11 Cosine 0.9926 0.006 0 0.9955 0 1293 526 11 Cosine 0.9955 -0.003 0 0.995 0 1293 580 11 Cosine 0.995 0.026 0 0.9958 0 1293 649 11 Cosine 0.9958 0.012 0 0.9931 0 1293 838 11 Cosine 0.9931 -0.0 0 0.9937 0 1293 1264 11 Cosine 0.9937 -0.0 0 0.966 0 1027 954 28 Cosine 0.966 0.0 0 0.9741 0 1027 1000 28 Cosine 0.9741 0.0 0 0.9622 0 1027 1046 28 Cosine 0.9622 116.047 116 0.7949 0 1223 645 56 Cosine 0.7949 -119.012 -119 0.7354 0 1223 1095 56 Cosine 0.7354 -88.017 -88 0.8614 0 1223 1119 56 Cosine 0.8614 -126.01 -126 0.9155 0 863 1187 96 Cosine 0.9155 -0.002 0 0.9801 0 863 1218 96 Cosine 0.9801 -0.996 0 0.8925 0 863 710 96 Cosine 0.8925 -0.002 0 1.0 0 1290 1292 234 Cosine 1.0 -0.001 0 0.9814 0 1268 1255 39 Cosine 0.9814 -0.008 0 0.9771 0 1268 921 39 Cosine 0.9771 -0.008 0 0.9772 0 1268 1222 39 Cosine 0.9772 -0.008 0 0.9782 0 1268 1241 39 Cosine 0.9782 0.0 0 0.977 0 1268 1248 39 Cosine 0.977 0.0 0 0.9757 0 222 106 1 Cosine 0.9757 0.007 0 0.9932 0 1108 1278 2 Cosine 0.9932 -0.001 0 0.9918 0 1108 1274 2 Cosine 0.9918 -0.008 0 0.9915 0 1108 811 2 Cosine 0.9915 -0.008 0 0.9933 0 1011 1260 2 Cosine 0.9933 -0.007 0 0.9924 0 1011 1174 2 Cosine 0.9924 -0.007 0 0.9939 0 1011 1195 2 Cosine 0.9939 -0.008 0 0.9931 0 1011 1213 2 Cosine 0.9931 0.0 0 0.9936 0 1011 876 2 Cosine 0.9936 -0.0 0 0.9944 0 1011 1089 2 Cosine 0.9944 0.0 0 0.9931 0 1011 986 2 Cosine 0.9931 -0.114 0 0.9341 0 922 801 86 Cosine 0.9341 -27.011 -27 0.8905 0 922 138 86 Cosine 0.8905 176.056 176 0.8341 0 1075 1081 12 Cosine 0.8341 -0.009 0 0.9813 0 272 363 11 Cosine 0.9813 -0.0 0 0.7767 0 906 1009 4 Cosine 0.7767 -15.996 -15 0.8114 0 906 1097 4 Cosine 0.8114 -15.995 -15 0.7997 0 906 1117 4 Cosine 0.7997 -0.0 0 0.993 0 830 1111 2 Cosine 0.993 0.001 0 0.9866 0 1248 1255 39 Cosine 0.9866 -0.009 0 0.9831 0 1248 1069 39 Cosine 0.9831 -0.008 0 0.9794 0 1248 921 39 Cosine 0.9794 -0.009 0 0.9845 0 1248 1019 39 Cosine 0.9845 -0.008 0 0.9844 0 1248 1222 39 Cosine 0.9844 -0.008 0 0.9889 0 1248 1241 39 Cosine 0.9889 0.001 0 0.9887 0 1248 1252 39 Cosine 0.9887 -146.0 -146 0.7834 0 904 930 4 Cosine 0.7834 14.016 14 0.7355 0 904 1097 4 Cosine 0.7355 14.017 14 0.7292 0 904 1117 4 Cosine 0.7292 -0.997 0 0.8477 0 304 303 147 Cosine 0.8477 -0.007 0 0.9807 0 666 471 33 Cosine 0.9807 -0.001 0 0.9866 0 666 476 33 Cosine 0.9866 -0.001 0 0.9867 0 666 539 33 Cosine 0.9867 -0.005 0 0.9807 0 666 480 33 Cosine 0.9807 -0.0 0 0.8942 0 647 750 14 Cosine 0.8942 -0.001 0 0.9208 0 647 752 14 Cosine 0.9208 -46.007 -46 0.8343 0 647 755 14 Cosine 0.8343 -0.001 0 0.9183 0 647 820 14 Cosine 0.9183 -0.008 0 0.9867 0 1069 1255 39 Cosine 0.9867 0.0 0 0.9857 0 1069 609 39 Cosine 0.9857 0.0 0 0.9841 0 1069 994 39 Cosine 0.9841 0.0 0 0.9868 0 1069 1019 39 Cosine 0.9868 -0.001 0 0.982 0 1069 1222 39 Cosine 0.982 -0.001 0 0.9834 0 1069 1241 39 Cosine 0.9834 -0.008 0 0.9891 0 1069 1252 39 Cosine 0.9891 -0.004 0 0.9832 0 871 1104 11 Cosine 0.9832 0.0 0 0.9713 0 560 106 1 Cosine 0.9713 -160.052 -160 0.8724 0 709 961 14 Cosine 0.8724 -0.012 0 0.9209 0 709 719 14 Cosine 0.9209 2.004 2 0.848 0 709 750 14 Cosine 0.848 2.003 2 0.8307 0 709 752 14 Cosine 0.8307 0.014 0 0.966 0 709 706 14 Cosine 0.966 -0.008 0 0.9943 0 1089 1260 2 Cosine 0.9943 0.0 0 0.9943 0 1089 1143 2 Cosine 0.9943 -0.007 0 0.9953 0 1089 1174 2 Cosine 0.9953 -0.007 0 0.995 0 1089 1195 2 Cosine 0.995 -0.007 0 0.9946 0 1089 1213 2 Cosine 0.9946 -0.0 0 0.9952 0 1089 876 2 Cosine 0.9952 0.0 0 0.9949 0 1089 1284 2 Cosine 0.9949 0.002 0 0.9932 0 1259 126 11 Cosine 0.9932 -0.003 0 0.9935 0 1259 448 11 Cosine 0.9935 0.0 0 0.9901 0 70 93 11 Cosine 0.9901 -0.003 0 0.9876 0 831 369 11 Cosine 0.9876 -0.008 0 0.9896 0 831 1054 11 Cosine 0.9896 -0.006 0 0.9911 0 831 102 11 Cosine 0.9911 0.008 0 0.9881 0 831 400 11 Cosine 0.9881 0.006 0 0.9903 0 831 932 11 Cosine 0.9903 -0.002 0 1.0 0 590 578 97 Cosine 1.0 -15.996 -15 0.7751 0 1009 1097 4 Cosine 0.7751 14.017 14 0.8574 0 1009 668 4 Cosine 0.8574 -23.016 -23 0.7712 0 628 626 16 Cosine 0.7712 -7.982 -7 0.736 0 483 98 32 Cosine 0.736 -0.001 0 0.9348 0 483 490 32 Cosine 0.9348 53.988 53 0.7676 0 483 492 32 Cosine 0.7676 -0.004 0 0.9905 0 369 102 11 Cosine 0.9905 -0.003 0 0.9881 0 369 347 11 Cosine 0.9881 -0.011 0 0.9865 0 369 440 11 Cosine 0.9865 -0.0 0 0.9897 0 369 638 11 Cosine 0.9897 -0.009 0 0.9883 0 369 865 11 Cosine 0.9883 0.003 0 0.9898 0 369 932 11 Cosine 0.9898 15.044 15 0.7805 0 1051 397 201 Cosine 0.7805 -0.009 0 0.9902 0 865 638 11 Cosine 0.9902 -0.012 0 0.9884 0 865 347 11 Cosine 0.9884 -0.012 0 0.9859 0 865 556 11 Cosine 0.9859 -0.009 0 0.9834 0 865 156 11 Cosine 0.9834 0.002 0 0.9871 0 865 440 11 Cosine 0.9871 -0.008 0 0.9924 0 93 1188 11 Cosine 0.9924 -0.003 0 0.9925 0 93 577 11 Cosine 0.9925 0.003 0 0.9898 0 93 837 11 Cosine 0.9898 -0.002 0 0.9913 0 93 1112 11 Cosine 0.9913 -0.001 0 0.9949 0 93 1208 11 Cosine 0.9949 0.006 0 1.0 0 124 144 123 Cosine 1.0 0.003 0 1.0 0 124 165 123 Cosine 1.0 -0.012 0 0.9898 0 837 1188 11 Cosine 0.9898 0.006 0 0.9908 0 837 577 11 Cosine 0.9908 -0.004 0 0.9924 0 837 1208 11 Cosine 0.9924 0.004 0 0.9897 0 837 638 11 Cosine 0.9897 0.0 0 0.9617 0 1094 1171 28 Cosine 0.9617 0.0 0 0.9633 0 1094 1249 28 Cosine 0.9633 -0.0 0 0.9501 0 1094 887 28 Cosine 0.9501 -0.001 0 0.9615 0 1094 1068 28 Cosine 0.9615 -30.995 -30 0.845 0 1119 1095 56 Cosine 0.845 46.005 46 0.8468 0 820 748 14 Cosine 0.8468 -0.001 0 0.9543 0 820 750 14 Cosine 0.9543 0.0 0 0.9747 0 820 752 14 Cosine 0.9747 46.006 46 0.8911 0 820 755 14 Cosine 0.8911 -0.007 0 0.9871 0 1222 1255 39 Cosine 0.9871 0.0 0 0.9861 0 1222 1241 39 Cosine 0.9861 -0.001 0 0.9842 0 1222 1019 39 Cosine 0.9842 -0.0 0 0.9805 0 1222 921 39 Cosine 0.9805 -0.007 0 0.988 0 1222 1252 39 Cosine 0.988 -0.006 0 0.9742 0 1068 1235 28 Cosine 0.9742 -0.0 0 0.9714 0 1068 1171 28 Cosine 0.9714 -0.001 0 0.9752 0 1068 1249 28 Cosine 0.9752 0.0 0 0.9676 0 1068 887 28 Cosine 0.9676 -0.0 0 0.9742 0 316 351 65 Cosine 0.9742 0.0 0 0.9752 0 316 157 65 Cosine 0.9752 0.0 0 0.9669 0 316 383 65 Cosine 0.9669 -0.001 0 0.9672 0 549 1279 6 Cosine 0.9672 -0.003 0 0.9877 0 584 660 11 Cosine 0.9877 0.001 0 0.9259 0 992 993 219 Cosine 0.9259 0.01 0 0.992 0 290 221 11 Cosine 0.992 -0.01 0 0.9902 0 290 505 11 Cosine 0.9902 0.002 0 0.9921 0 290 592 11 Cosine 0.9921 0.001 0 0.9899 0 290 536 11 Cosine 0.9899 -0.016 0 0.9921 0 290 594 11 Cosine 0.9921 -0.012 0 0.9901 0 290 1054 11 Cosine 0.9901 30.049 30 0.7154 0 56 25 30 Cosine 0.7154 -58.004 -58 0.8871 0 420 219 211 Cosine 0.8871 0.011 0 0.9923 0 221 536 11 Cosine 0.9923 0.0 0 0.7473 0 532 417 134 Cosine 0.7473 0.002 0 0.8172 0 532 527 134 Cosine 0.8172 0.001 0 0.8191 0 532 528 134 Cosine 0.8191 -0.013 0 1.0 0 444 436 191 Cosine 1.0 0.011 0 0.9853 0 660 440 11 Cosine 0.9853 -0.002 0 0.9881 0 660 536 11 Cosine 0.9881 0.0 0 0.9888 0 660 638 11 Cosine 0.9888 -0.0 0 0.9863 0 77 120 43 Cosine 0.9863 -0.008 0 0.9837 0 1019 1255 39 Cosine 0.9837 0.0 0 0.9878 0 1019 994 39 Cosine 0.9878 0.0 0 0.9866 0 1019 609 39 Cosine 0.9866 -0.008 0 0.9866 0 1019 1252 39 Cosine 0.9866 -0.001 0 0.7682 0 528 417 134 Cosine 0.7682 0.001 0 0.8612 0 528 527 134 Cosine 0.8612 -0.0 0 0.9281 0 1152 601 28 Cosine 0.9281 204.093 204 0.7791 0 359 1142 29 Cosine 0.7791 204.093 204 0.7723 0 359 1102 29 Cosine 0.7723 0.0 0 0.8696 0 359 336 29 Cosine 0.8696 -0.0 0 0.9591 0 1319 376 6 Cosine 0.9591 -0.006 0 0.9878 0 1133 813 11 Cosine 0.9878 -0.018 0 0.9918 0 1133 210 11 Cosine 0.9918 0.016 0 0.9948 0 1133 1245 11 Cosine 0.9948 -46.005 -46 0.8491 0 707 706 14 Cosine 0.8491 -0.002 0 1.0 0 500 478 85 Cosine 1.0 -1.0 -1 0.9278 0 1294 1296 52 Cosine 0.9278 -0.011 0 0.9874 0 440 240 11 Cosine 0.9874 0.013 0 0.9876 0 440 536 11 Cosine 0.9876 0.011 0 0.9884 0 440 638 11 Cosine 0.9884 -0.014 0 0.9869 0 440 347 11 Cosine 0.9869 0.001 0 0.9776 0 1021 994 39 Cosine 0.9776 0.007 0 0.9884 0 450 456 33 Cosine 0.9884 0.004 0 0.9892 0 450 471 33 Cosine 0.9892 -0.002 0 0.9959 0 450 476 33 Cosine 0.9959 -0.002 0 0.993 0 450 539 33 Cosine 0.993 -0.003 0 0.9961 0 450 595 33 Cosine 0.9961 0.003 0 0.9927 0 450 432 33 Cosine 0.9927 0.002 0 0.9892 0 450 480 33 Cosine 0.9892 -96.945 -96 0.7338 0 568 620 87 Cosine 0.7338 -0.006 0 0.9928 0 577 1188 11 Cosine 0.9928 -0.006 0 0.9899 0 577 813 11 Cosine 0.9899 0.002 0 0.9952 0 577 1208 11 Cosine 0.9952 0.0 0 0.9839 0 471 550 33 Cosine 0.9839 0.008 0 0.9857 0 471 432 33 Cosine 0.9857 -0.003 0 1.0 0 471 480 33 Cosine 1.0 -0.007 0 0.9855 0 471 539 33 Cosine 0.9855 -0.008 0 0.9866 0 471 595 33 Cosine 0.9866 299.109 299 0.9202 0 962 963 14 Cosine 0.9202 -342.115 -342 0.9345 0 962 961 14 Cosine 0.9345 -0.0 0 0.9332 0 1187 1134 96 Cosine 0.9332 3.001 3 0.9737 0 1301 1300 36 Cosine 0.9737 14.016 14 0.9653 0 545 586 81 Cosine 0.9653 -0.0 0 0.9647 0 1326 376 6 Cosine 0.9647 -0.003 0 1.0 0 537 531 182 Cosine 1.0 -0.007 0 0.9853 0 921 1255 39 Cosine 0.9853 0.0 0 0.9853 0 921 1241 39 Cosine 0.9853 -0.007 0 0.9865 0 921 1252 39 Cosine 0.9865 -10.029 -10 0.7924 0 372 375 24 Cosine 0.7924 -0.001 0 0.8731 0 755 748 14 Cosine 0.8731 -46.007 -46 0.8978 0 755 750 14 Cosine 0.8978 -46.006 -46 0.9135 0 755 752 14 Cosine 0.9135 -44.025 -44 0.8542 0 755 1065 14 Cosine 0.8542 146.037 146 0.8123 0 930 1242 4 Cosine 0.8123 0.002 0 0.9598 0 154 703 37 Cosine 0.9598 14.016 14 0.733 0 1024 1002 29 Cosine 0.733 154.037 154 0.7144 0 1024 1017 29 Cosine 0.7144 0.001 0 0.9131 0 1024 1018 29 Cosine 0.9131 -1.003 -1 0.78 0 1024 1026 29 Cosine 0.78 14.016 14 0.8762 0 884 924 127 Cosine 0.8762 70.074 70 0.7795 0 64 34 122 Cosine 0.7795 14.015 14 0.9451 0 64 51 122 Cosine 0.9451 0.984 0 0.916 0 64 47 122 Cosine 0.916 126.084 126 0.7083 0 714 1102 29 Cosine 0.7083 -0.008 0 0.9917 0 1274 1143 2 Cosine 0.9917 -0.009 0 0.9919 0 1274 811 2 Cosine 0.9919 0.0 0 0.9774 0 351 383 65 Cosine 0.9774 0.0 0 0.9813 0 1225 1237 168 Cosine 0.9813 -0.0 0 0.9051 0 1134 951 96 Cosine 0.9051 0.004 0 0.9915 0 347 8 11 Cosine 0.9915 -0.003 0 0.9901 0 347 638 11 Cosine 0.9901 -0.0 0 0.9428 0 601 1159 28 Cosine 0.9428 14.015 14 0.7825 0 1018 1002 29 Cosine 0.7825 -1.002 -1 0.8449 0 1018 1026 29 Cosine 0.8449 -0.0 0 0.9626 0 887 1249 28 Cosine 0.9626 0.0 0 0.9575 0 887 1159 28 Cosine 0.9575 -0.001 0 0.9209 0 393 41 92 Cosine 0.9209 -0.0 0 0.9131 0 393 75 92 Cosine 0.9131 -0.001 0 0.8976 0 393 174 92 Cosine 0.8976 0.0 0 0.9196 0 393 283 92 Cosine 0.9196 -0.0 0 0.9373 0 393 319 92 Cosine 0.9373 0.0 0 0.9507 0 393 361 92 Cosine 0.9507 0.001 0 0.9167 0 393 475 92 Cosine 0.9167 0.001 0 0.9297 0 393 529 92 Cosine 0.9297 -43.006 -43 0.8704 0 961 963 14 Cosine 0.8704 -160.039 -160 0.8796 0 961 706 14 Cosine 0.8796 -160.04 -160 0.8496 0 961 719 14 Cosine 0.8496 -162.056 -162 0.8616 0 961 750 14 Cosine 0.8616 -90.035 -90 0.8517 0 961 807 14 Cosine 0.8517 -27.996 -27 0.9335 0 961 844 14 Cosine 0.9335 -0.001 0 0.818 0 98 100 32 Cosine 0.818 -0.0 0 0.9933 0 102 932 11 Cosine 0.9933 -0.0 0 0.9757 0 913 1243 21 Cosine 0.9757 0.009 0 0.975 0 913 1286 21 Cosine 0.975 -0.001 0 0.9697 0 913 1234 21 Cosine 0.9697 0.007 0 0.9501 0 913 1210 21 Cosine 0.9501 0.009 0 0.9616 0 913 1313 21 Cosine 0.9616 -0.001 0 0.9214 0 41 319 92 Cosine 0.9214 -0.0 0 0.9212 0 41 529 92 Cosine 0.9212 -0.001 0 0.9277 0 41 75 92 Cosine 0.9277 -0.001 0 0.9323 0 41 283 92 Cosine 0.9323 -0.0 0 0.9192 0 41 475 92 Cosine 0.9192 -0.002 0 0.9259 0 41 361 92 Cosine 0.9259 -0.0 0 0.9368 0 756 821 60 Cosine 0.9368 -10.968 -10 0.9782 0 897 928 47 Cosine 0.9782 -0.003 0 0.9946 0 880 458 11 Cosine 0.9946 0.05 0 0.9065 0 1023 1059 99 Cosine 0.9065 0.005 0 0.9741 0 1249 1235 28 Cosine 0.9741 -0.0 0 0.9786 0 1249 1171 28 Cosine 0.9786 -18.974 -18 0.7726 0 632 616 16 Cosine 0.7726 27.018 27 0.7937 0 632 621 16 Cosine 0.7937 27.019 27 0.7687 0 632 622 16 Cosine 0.7687 0.011 0 0.9909 0 536 505 11 Cosine 0.9909 0.005 0 0.8877 0 1032 1043 121 Cosine 0.8877 56.059 56 0.7858 0 34 51 122 Cosine 0.7858 -0.003 0 1.0 0 582 591 46 Cosine 1.0 -0.09 0 0.9746 0 817 804 114 Cosine 0.9746 0.091 0 0.9652 0 817 966 114 Cosine 0.9652 0.0 0 0.9581 0 817 753 114 Cosine 0.9581 -0.001 0 0.9923 0 539 476 33 Cosine 0.9923 0.001 0 0.9894 0 539 432 33 Cosine 0.9894 -0.004 0 0.9855 0 539 480 33 Cosine 0.9855 -0.001 0 0.9914 0 539 595 33 Cosine 0.9914 -0.005 0 0.972 0 1046 1235 28 Cosine 0.972 0.0 0 0.9655 0 1046 1171 28 Cosine 0.9655 -0.0 0 0.973 0 1046 954 28 Cosine 0.973 0.0 0 0.98 0 1046 1000 28 Cosine 0.98 -0.015 0 0.9866 0 156 326 11 Cosine 0.9866 -0.0 0 0.9842 0 156 638 11 Cosine 0.9842 -0.008 0 0.9855 0 156 1034 11 Cosine 0.9855 1.994 1 0.9544 0 619 620 87 Cosine 0.9544 30.045 30 0.9098 0 194 398 17 Cosine 0.9098 29.043 29 0.7278 0 194 401 17 Cosine 0.7278 -0.006 0 0.9906 0 518 408 207 Cosine 0.9906 -0.0 0 0.9497 0 767 587 41 Cosine 0.9497 46.005 46 0.8794 0 844 843 14 Cosine 0.8794 -0.0 0 0.7826 0 1273 949 18 Cosine 0.7826 -0.007 0 0.9904 0 1255 1241 39 Cosine 0.9904 0.0 0 0.9938 0 1255 1252 39 Cosine 0.9938 204.093 204 0.8137 0 336 1142 29 Cosine 0.8137 204.093 204 0.8052 0 336 1102 29 Cosine 0.8052 -0.002 0 0.9967 0 1245 210 11 Cosine 0.9967 -0.001 0 0.9731 0 1279 376 6 Cosine 0.9731 -0.005 0 0.977 0 1235 1171 28 Cosine 0.977 69.058 69 0.7918 0 1020 1017 29 Cosine 0.7918 0.997 0 0.8534 0 302 299 36 Cosine 0.8534 -0.002 0 1.0 0 165 144 123 Cosine 1.0 0.008 0 0.9921 0 1209 1207 195 Cosine 0.9921 -0.003 0 1.0 0 860 864 67 Cosine 1.0 0.001 0 0.8905 0 461 398 17 Cosine 0.8905 43.99 43 0.8822 0 461 396 17 Cosine 0.8822 1.003 1 0.7998 0 461 401 17 Cosine 0.7998 1.996 1 0.909 0 936 5 5 Cosine 0.909 3.993 3 0.8523 0 936 895 5 Cosine 0.8523 -0.002 0 0.988 0 1112 69 11 Cosine 0.988 -0.0 0 0.9889 0 136 669 198 Cosine 0.9889 2.997 2 0.7699 0 627 620 87 Cosine 0.7699 43.989 43 0.8652 0 396 398 17 Cosine 0.8652 -0.0 0 0.9013 0 1071 612 80 Cosine 0.9013 0.0 0 0.9517 0 1071 927 80 Cosine 0.9517 -0.0 0 0.9236 0 1071 459 80 Cosine 0.9236 -0.0 0 0.9756 0 1071 1221 80 Cosine 0.9756 -0.0 0 0.9727 0 1071 1238 80 Cosine 0.9727 -0.0 0 0.9808 0 781 495 11 Cosine 0.9808 0.018 0 0.9832 0 781 548 11 Cosine 0.9832 -0.0 0 0.9164 0 1238 612 80 Cosine 0.9164 0.0 0 0.963 0 1238 927 80 Cosine 0.963 -0.0 0 0.9397 0 1238 459 80 Cosine 0.9397 0.0 0 0.9833 0 1238 1221 80 Cosine 0.9833 -1.997 -1 0.9438 0 893 937 5 Cosine 0.9438 0.031 0 0.9974 0 649 1226 11 Cosine 0.9974 -0.032 0 0.9964 0 649 210 11 Cosine 0.9964 -0.021 0 0.9979 0 649 526 11 Cosine 0.9979 -0.029 0 0.9976 0 649 580 11 Cosine 0.9976 0.028 0 0.997 0 649 1208 11 Cosine 0.997 0.014 0 0.9956 0 649 838 11 Cosine 0.9956 0.026 0 0.9955 0 649 1264 11 Cosine 0.9955 -0.0 0 0.9901 0 1217 1203 146 Cosine 0.9901 0.008 0 0.984 0 550 328 33 Cosine 0.984 0.006 0 0.9866 0 550 476 33 Cosine 0.9866 0.003 0 0.9839 0 550 480 33 Cosine 0.9839 0.01 0 0.9861 0 550 540 33 Cosine 0.9861 -0.008 0 0.9897 0 550 595 33 Cosine 0.9897 0.001 0 0.9224 0 529 319 92 Cosine 0.9224 0.001 0 0.9106 0 529 75 92 Cosine 0.9106 0.001 0 0.9333 0 529 283 92 Cosine 0.9333 0.001 0 0.9418 0 529 361 92 Cosine 0.9418 0.0 0 0.9022 0 529 475 92 Cosine 0.9022 0.001 0 0.9108 0 249 224 8 Cosine 0.9108 0.0 0 0.8782 0 459 612 80 Cosine 0.8782 -0.001 0 0.9316 0 459 927 80 Cosine 0.9316 -0.001 0 0.9407 0 459 1221 80 Cosine 0.9407 -0.0 0 0.9925 0 986 1143 2 Cosine 0.9925 -0.007 0 0.9937 0 986 1195 2 Cosine 0.9937 0.0 0 0.9931 0 986 876 2 Cosine 0.9931 0.0 0 0.9879 0 69 240 11 Cosine 0.9879 -0.002 0 0.8712 0 434 463 49 Cosine 0.8712 -176.07 -176 0.9041 0 434 462 49 Cosine 0.9041 -1.003 -1 0.8241 0 434 465 49 Cosine 0.8241 0.009 0 0.9452 0 1313 1243 21 Cosine 0.9452 0.0 0 0.9855 0 1313 1286 21 Cosine 0.9855 0.002 0 0.9763 0 1313 1210 21 Cosine 0.9763 64.031 64 0.7843 0 398 247 17 Cosine 0.7843 -1.003 -1 0.742 0 398 401 17 Cosine 0.742 0.006 0 0.9908 0 886 1188 11 Cosine 0.9908 0.0 0 0.9803 0 259 383 65 Cosine 0.9803 0.0 0 0.9465 0 1142 1102 29 Cosine 0.9465 -0.017 0 0.9569 0 1142 1158 29 Cosine 0.9569 -46.005 -46 0.8167 0 374 375 24 Cosine 0.8167 0.006 0 0.9867 0 1336 813 11 Cosine 0.9867 -0.007 0 0.9865 0 1333 1329 52 Cosine 0.9865 -45.992 -45 0.7495 0 616 621 16 Cosine 0.7495 -45.993 -45 0.7902 0 616 622 16 Cosine 0.7902 -0.0 0 0.9936 0 888 1111 2 Cosine 0.9936 -0.018 0 1.0 0 594 592 11 Cosine 1.0 67.989 67 0.8637 0 1076 1066 109 Cosine 0.8637 0.001 0 0.9671 0 1076 1067 109 Cosine 0.9671 176.068 176 0.8913 0 462 463 49 Cosine 0.8913 -0.001 0 0.908 0 174 319 92 Cosine 0.908 -0.001 0 0.9045 0 174 283 92 Cosine 0.9045 -0.001 0 0.9007 0 174 361 92 Cosine 0.9007 -0.0 0 0.9892 0 813 1188 11 Cosine 0.9892 0.007 0 0.9944 0 813 1208 11 Cosine 0.9944 -0.002 0 0.9921 0 1264 8 11 Cosine 0.9921 -0.004 0 0.9953 0 1264 1226 11 Cosine 0.9953 -0.006 0 0.9937 0 1264 210 11 Cosine 0.9937 0.006 0 0.9952 0 1264 526 11 Cosine 0.9952 -0.003 0 0.995 0 1264 580 11 Cosine 0.995 0.012 0 0.995 0 1264 838 11 Cosine 0.995 0.0 0 0.9142 0 75 319 92 Cosine 0.9142 -0.0 0 0.9233 0 75 283 92 Cosine 0.9233 -0.001 0 0.9113 0 75 361 92 Cosine 0.9113 0.001 0 0.9142 0 75 475 92 Cosine 0.9142 251.884 251 0.7989 0 690 687 161 Cosine 0.7989 0.0 0 0.9913 0 1310 1199 2 Cosine 0.9913 -26.015 -26 0.972 0 650 456 33 Cosine 0.972 0.0 0 0.9398 0 283 319 92 Cosine 0.9398 -0.0 0 0.929 0 283 361 92 Cosine 0.929 0.001 0 0.9093 0 283 475 92 Cosine 0.9093 0.0 0 0.9563 0 896 939 5 Cosine 0.9563 -1.996 -1 0.933 0 896 895 5 Cosine 0.933 -23.016 -23 0.7855 0 626 621 16 Cosine 0.7855 -23.015 -23 0.7956 0 626 622 16 Cosine 0.7956 67.988 67 0.8705 0 1067 1066 109 Cosine 0.8705 -0.001 0 0.974 0 378 384 74 Cosine 0.974 -334.082 -334 0.8306 0 378 380 74 Cosine 0.8306 -334.08 -334 0.8284 0 378 381 74 Cosine 0.8284 99.047 99 0.7393 0 378 919 74 Cosine 0.7393 334.081 334 0.823 0 384 380 74 Cosine 0.823 334.079 334 0.8204 0 384 381 74 Cosine 0.8204 99.048 99 0.75 0 384 919 74 Cosine 0.75 -1.001 -1 0.9437 0 463 465 49 Cosine 0.9437 -0.0 0 0.9933 0 1213 1260 2 Cosine 0.9933 -0.001 0 0.9938 0 1213 1195 2 Cosine 0.9938 -0.008 0 0.9938 0 1213 876 2 Cosine 0.9938 -0.007 0 0.9946 0 1213 1111 2 Cosine 0.9946 0.008 0 0.9937 0 1213 1278 2 Cosine 0.9937 0.0 0 0.9891 0 1234 1243 21 Cosine 0.9891 0.009 0 0.9389 0 1234 1286 21 Cosine 0.9389 -0.002 0 1.0 0 685 729 154 Cosine 1.0 0.002 0 0.9922 0 432 476 33 Cosine 0.9922 0.0 0 0.9904 0 432 595 33 Cosine 0.9904 0.005 0 0.9857 0 432 480 33 Cosine 0.9857 0.01 0 0.997 0 526 1226 11 Cosine 0.997 -0.012 0 0.9959 0 526 210 11 Cosine 0.9959 0.009 0 0.9973 0 526 580 11 Cosine 0.9973 -0.006 0 0.9952 0 526 838 11 Cosine 0.9952 0.002 0 0.9112 0 381 380 74 Cosine 0.9112 0.001 0 0.9624 0 1171 1000 28 Cosine 0.9624 -15.995 -15 0.8315 0 488 1001 10 Cosine 0.8315 -0.002 0 0.9892 0 1196 306 117 Cosine 0.9892 -0.0 0 0.9875 0 1203 950 146 Cosine 0.9875 -0.001 0 0.994 0 1195 1260 2 Cosine 0.994 -0.007 0 0.9939 0 1195 1143 2 Cosine 0.9939 -0.007 0 0.9943 0 1195 876 2 Cosine 0.9943 3.0 3 0.8508 0 1295 1297 181 Cosine 0.8508 0.008 0 0.9948 0 1208 1188 11 Cosine 0.9948 0.0 0 0.9923 0 1278 1111 2 Cosine 0.9923 0.0 0 0.9925 0 1278 1284 2 Cosine 0.9925 0.002 0 0.9765 0 1210 1286 21 Cosine 0.9765 -0.002 0 0.9955 0 210 1226 11 Cosine 0.9955 -0.003 0 0.9957 0 210 580 11 Cosine 0.9957 -0.018 0 0.9937 0 210 838 11 Cosine 0.9937 -67.947 -67 0.8496 0 299 1300 36 Cosine 0.8496 -0.001 0 0.9254 0 361 319 92 Cosine 0.9254 0.001 0 0.9136 0 361 475 92 Cosine 0.9136 115.041 115 0.7106 0 507 919 74 Cosine 0.7106 46.005 46 0.8571 0 748 752 14 Cosine 0.8571 -0.007 0 0.9925 0 1174 1143 2 Cosine 0.9925 -0.007 0 0.993 0 1174 876 2 Cosine 0.993 0.007 0 0.9931 0 1174 1284 2 Cosine 0.9931 113.978 113 0.8575 0 1299 1300 36 Cosine 0.8575 -0.001 0 0.9921 0 595 476 33 Cosine 0.9921 -0.005 0 0.9866 0 595 480 33 Cosine 0.9866 0.008 0 0.9913 0 505 638 11 Cosine 0.9913 0.001 0 0.9393 0 1048 1049 45 Cosine 0.9393 -0.001 0 0.9687 0 750 752 14 Cosine 0.9687 0.002 0 0.9969 0 1226 580 11 Cosine 0.9969 0.016 0 0.9947 0 1226 838 11 Cosine 0.9947 0.001 0 0.9134 0 319 475 92 Cosine 0.9134 0.0 0 0.9537 0 1097 1117 4 Cosine 0.9537 -0.009 0 0.993 0 1260 811 2 Cosine 0.993 -0.008 0 0.9935 0 1260 876 2 Cosine 0.9935 0.0 0 0.7829 0 822 751 164 Cosine 0.7829 53.989 53 0.7311 0 492 490 32 Cosine 0.7311 -0.002 0 0.971 0 106 273 1 Cosine 0.971 -0.008 0 0.9839 0 363 240 11 Cosine 0.9839 244.095 244 0.728 0 320 553 122 Cosine 0.728 0.0 0 0.9848 0 994 609 39 Cosine 0.9848 -0.001 0 0.978 0 994 959 39 Cosine 0.978 -0.008 0 0.9826 0 994 1252 39 Cosine 0.9826 0.009 0 0.9585 0 1243 1286 21 Cosine 0.9585 0.004 0 0.9891 0 556 8 11 Cosine 0.9891 0.06 0 0.7258 0 39 553 122 Cosine 0.7258 0.984 0 0.96 0 39 51 122 Cosine 0.96 14.015 14 0.8751 0 39 47 122 Cosine 0.8751 -0.001 0 0.9722 0 621 622 16 Cosine 0.9722 -0.001 0 0.9125 0 612 927 80 Cosine 0.9125 -0.001 0 0.9249 0 612 1221 80 Cosine 0.9249 0.002 0 0.9391 0 719 706 14 Cosine 0.9391 -70.005 -70 0.847 0 719 807 14 Cosine 0.847 0.0 0 0.9924 0 1143 1284 2 Cosine 0.9924 -70.003 -70 0.8615 0 706 807 14 Cosine 0.8615 -0.0 0 0.9682 0 927 1221 80 Cosine 0.9682 -0.008 0 0.9911 0 1241 1252 39 Cosine 0.9911 0.0 0 0.9701 0 966 804 114 Cosine 0.9701 -0.015 0 0.9949 0 580 838 11 Cosine 0.9949 -0.002 0 0.7842 0 527 417 134 Cosine 0.7842 -0.016 0 0.9903 0 770 838 11 Cosine 0.9903 0.008 0 0.9893 0 400 984 11 Cosine 0.9893 -0.001 0 0.9806 0 954 1000 28 Cosine 0.9806 nf_output/networking/clustersummary_with_groups.tsv0000644000000000000000000015444014652135346022276 0ustar rootrootcluster index parent mass RTMean ATTRIBUTE_condition:GNPSGROUP:WT ATTRIBUTE_condition:GNPSGROUP:HN ATTRIBUTE_condition:GNPSGROUP:NifH ATTRIBUTE_condition:GNPSGROUP:Argon ATTRIBUTE_condition:GNPSGROUP:C ATTRIBUTE_condition:GNPSGROUP:QC 1 106.03963666865631 0.068792604 0.0 2 160.8407213925656 0.15010205 0.0 3 162.8375246931903 0.15010205 0.0 4 195.8101708909831 0.15010205 0.0 5 197.8072597670436 0.15010205 0.0 6 106.03933617366758 0.16980761 0.0 7 90.00798623688479 0.3601483 0.0 8 84.99772706582407 0.39350966 0.0 9 84.9988846629439 0.39464524 0.0 10 260.9104667397305 0.41850305 0.0 11 84.99698741336563 0.44541538 0.0 12 92.02392646110296 0.45183653 0.0 13 84.99899882019922 0.45640144 0.0 14 90.00787230251325 0.4905137 0.0 15 84.99757059082468 0.51163626 0.0 16 133.01242026082576 0.51761454 0.0 17 96.9581253375832 0.5279029 0.0 18 501.3583194563994 0.5428216 0.0 19 455.35421187721965 0.54299504 0.0 20 191.01830008259364 0.5476472 0.0 21 459.3465890401712 0.5532131 0.0 22 431.3152761466517 0.56076443 0.0 23 293.1759454856371 0.57258606 0.0 24 313.0726648595477 0.5830232 0.0 25 297.07698214914035 0.5913711 0.0 26 431.1833007935049 0.6076747 0.0 27 431.15297067023965 0.6173482 3026182.9 28 470.1609898756046 0.6173482 264825.685 29 267.06493482618305 0.6381554 0.0 30 84.9976120167458 0.643843 0.0 31 108.0072019865784 0.6562676 0.0 32 121.02754466346862 0.65949875 0.0 33 141.01828550452862 0.66362315 0.0 34 242.15832061546732 0.67027295 388316.845 35 104.02953185872347 0.6746178 0.0 36 84.99739849911577 0.6972246 0.0 37 200.0552040125904 0.6986922 0.0 38 84.9958120038194 0.7520609 0.0 39 187.08307956188332 0.75656706 661325.62 40 187.0950228442196 0.75791943 0.0 41 310.94573946174114 0.7712725 0.0 42 85.01183687184854 0.7730688 0.0 43 104.0317807668528 0.7789779 0.0 44 103.01578183632856 0.7836271 0.0 45 84.99754896412131 0.79263926 0.0 46 104.02947208663498 0.802169 0.0 47 173.0682938097365 0.81036985 267641.69 48 103.01347813617244 0.8124913 0.0 49 104.02714588504526 0.81912625 0.0 50 104.02952912576067 0.8255969 0.0 51 186.09912209637423 0.85108936 1732545.3 52 84.9950183772125 0.85427237 0.0 53 84.99390334298634 0.8629079 0.0 54 84.99727712769439 0.86831415 0.0 55 102.01256142125342 0.8732586 0.0 56 267.02838964059094 0.87539417 0.0 57 109.99758961519451 0.87903005 0.0 58 141.01833766716837 0.89412844 0.0 59 99.00666702435896 0.8944507 0.0 60 103.01302901656749 0.89814353 0.0 61 104.03179709506566 0.90143114 0.0 62 163.0238221056769 0.9051723 0.0 63 310.9456186832283 0.9176091 0.0 64 172.08433409823198 0.9338869 745809.7 65 104.02949405336504 0.9414159 0.0 66 85.01200806243385 0.9474513 0.0 67 85.00842460850458 0.9492081 0.0 68 84.99612576561046 0.9530128 0.0 69 84.99764069748626 0.9657445 0.0 70 84.99762999867266 0.9664224 0.0 71 145.0485405431715 0.96775347 0.0 72 104.02792174620242 0.96978325 0.0 73 104.03160609831168 0.98051393 0.0 74 128.01046547531232 0.988858 0.0 75 310.9468120350052 0.9899387 0.0 76 103.0138034665756 0.9966882 0.0 77 93.00768789825642 1.005426 0.0 78 90.0078396579058 1.0065733 0.0 79 102.01177863369296 1.0103809 0.0 80 104.02720611838292 1.0110548 0.0 81 84.99430994836972 1.0179573 0.0 82 85.00583447254667 1.0278958 0.0 83 104.02947329037664 1.0315964 0.0 84 163.023930108649 1.0400558 0.0 85 103.01570449589286 1.0416611 0.0 86 109.99751861286592 1.0421175 0.0 87 102.00847807323154 1.0448596 0.0 88 103.01502618369284 1.0453995 0.0 89 104.020082432112 1.0491974 0.0 90 102.01226861404606 1.0542676 0.0 91 103.01246006508195 1.0569174 0.0 92 105.02653999783328 1.0608904 0.0 93 84.99744675121052 1.0629061 0.0 94 141.0185413670085 1.067259 0.0 95 85.01197161838962 1.0877461 0.0 96 102.00828005993934 1.0929456 0.0 97 84.99594967509736 1.097886 0.0 98 219.01298760825608 1.0982652 0.0 99 104.0318137005521 1.100898 0.0 100 219.0140664158845 1.1069344 0.0 101 102.01401129512246 1.1145753 0.0 102 84.99364374772841 1.121908 0.0 103 104.02953046295318 1.145881 0.0 104 84.99714255180211 1.1576414 0.0 105 102.01472065540985 1.1619763 0.0 106 103.0136664794994 1.1649466 0.0 107 104.02720154177564 1.1704236 0.0 108 102.01170052856855 1.1775745 0.0 109 103.01540928443916 1.1835911 0.0 110 103.01390261882293 1.1853174 0.0 111 84.99746129849883 1.1916862 0.0 112 163.0239261922234 1.192126 0.0 113 104.03278518064567 1.1944582 0.0 114 84.9941075803853 1.2026126 0.0 115 85.00575104934049 1.2283354 0.0 116 130.04864980569502 1.2406509 0.0 117 104.03201276052364 1.249679 0.0 118 104.02009450907924 1.2595228 0.0 119 343.11501998642694 1.2808752 361345.565 120 93.00775780933829 1.2837954 0.0 121 103.01537036087586 1.2909701 0.0 122 104.02728344987987 1.3078468 0.0 123 104.02912986562652 1.3159932 0.0 124 104.0329104970472 1.320799 0.0 125 84.99762841418466 1.3219118 0.0 126 84.99955326840583 1.3249946 0.0 127 105.02082119225128 1.3331379 0.0 128 102.01194106612608 1.3388084 0.0 129 85.01190328272729 1.3394438 0.0 130 89.02255700860836 1.340697 0.0 131 163.0240386281884 1.3531144 0.0 132 85.00622875707573 1.361197 0.0 133 84.99593501273392 1.3631879 0.0 134 102.01441237025236 1.3677841 0.0 135 103.01357486003027 1.3729477 0.0 136 84.99410346682589 1.3729564 0.0 137 130.04866202268056 1.3832562 0.0 138 89.02254289326874 1.389221 0.0 139 104.0315115467565 1.4092002 0.0 140 104.03268952267192 1.414034 0.0 141 104.02942706635812 1.4241552 0.0 142 84.99747699904624 1.4271117 0.0 143 85.00581965267568 1.4290552 0.0 144 104.02717092138386 1.4326112 0.0 145 310.9464294067951 1.4519806 0.0 146 102.0122064883257 1.4606309 0.0 147 84.99411357240186 1.4697678 0.0 148 102.0139777994987 1.4909644 0.0 149 105.02078058086438 1.5039713 0.0 150 104.02717762613293 1.5061266 0.0 151 104.02933248711707 1.5072047 0.0 152 218.1030294259552 1.5250574 0.0 153 104.031665387583 1.5285974 0.0 154 103.0150577238719 1.5293773 0.0 155 104.01676406208118 1.5431 0.0 156 84.9974793876164 1.5847467 0.0 157 163.02404133044132 1.5879569 0.0 158 109.99760871882364 1.592544 0.0 159 104.0317175136899 1.6003655 0.0 160 104.0273768891878 1.6082075 0.0 161 118.0203406365082 1.6112751 0.0 162 117.01811083854332 1.6130259 0.0 163 102.01156925344053 1.6130311 0.0 164 117.0248308584378 1.6146036 0.0 165 104.02952567637762 1.6151717 0.0 166 117.0096494931136 1.6151705 339865.42 167 85.00569882885844 1.6175312 0.0 168 84.99407367043136 1.62332 0.0 169 105.0208769177866 1.6344289 0.0 170 104.01680740051609 1.6408906 0.0 171 103.01556385301004 1.6446002 0.0 172 85.01193586848233 1.6498454 0.0 173 84.99542617614748 1.6592582 0.0 174 310.9461423929736 1.6669374 0.0 175 104.03324250678962 1.6670904 0.0 176 84.99376801303347 1.670347 0.0 177 104.02955742612345 1.6726358 0.0 178 84.99739685014093 1.6748623 0.0 179 102.00842153599513 1.69275 0.0 180 163.02411972324182 1.699864 0.0 181 103.01557494685728 1.7011383 0.0 182 102.01176204640676 1.7086736 0.0 183 103.01406525062988 1.7231445 0.0 184 237.0385068813076 1.7342104 0.0 185 121.02730477947053 1.73602 0.0 186 237.039494433824 1.7374167 0.0 187 85.00843523530571 1.7430668 0.0 188 104.03170208177072 1.7485089 0.0 189 105.02091847549076 1.7557849 0.0 190 104.02925996081308 1.7627927 0.0 191 84.9940550081014 1.779941 0.0 192 104.0274271593666 1.7801261 0.0 193 104.0327302374119 1.7980012 0.0 194 172.09505309001335 1.8050158 0.0 195 84.99632365150953 1.8078455 0.0 196 85.01195209706259 1.8124008 0.0 197 104.02004410131195 1.813386 0.0 198 84.99777225017296 1.8182477 0.0 199 104.03229041137855 1.8254771 0.0 200 102.01205743043232 1.8269641 0.0 201 186.03938259060783 1.8457808 0.0 202 163.02406014410622 1.8459861 0.0 203 142.04906604421015 1.8462867 0.0 204 186.03825278312536 1.8473492 0.0 205 84.99586545763759 1.8505201 0.0 206 105.0208119347754 1.8532032 0.0 207 102.0140675786886 1.8614224 0.0 208 84.99753893818001 1.8854011 0.0 209 104.02951297389592 1.889921 0.0 210 84.99410165299653 1.8959724 0.0 211 104.02717923598324 1.9025232 0.0 212 84.99348852225222 1.9121923 0.0 213 194.1014032737837 1.9132408 0.0 214 103.01239219666306 1.9141792 0.0 215 194.1008437238188 1.9154147 0.0 216 103.01560777573592 1.9280344 0.0 217 84.99733857291179 1.9344074 0.0 218 85.00009730386896 1.9383048 0.0 219 216.0864696000167 1.93837 0.0 220 85.01210853035606 1.9499502 0.0 221 85.00601020897591 1.960115 0.0 222 103.0137200397382 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85.00842435201564 2.1485772 0.0 251 103.01546320094825 2.1674366 0.0 252 250.07047136422065 2.173733 0.0 253 250.0714755071809 2.1741974 0.0 254 84.99740191554497 2.182035 0.0 255 104.03162101417682 2.1981766 0.0 256 104.02941176582613 2.2049866 0.0 257 85.00574115810115 2.2145693 0.0 258 175.0221647275779 2.2157457 0.0 259 163.02379724151646 2.2222857 0.0 260 85.01201766624564 2.2319417 0.0 261 104.02715633448108 2.2339284 0.0 262 102.01124233746646 2.236008 0.0 263 85.00845693023268 2.2370262 0.0 264 141.01856728277446 2.2408314 0.0 265 104.03181201755348 2.2426386 0.0 266 102.00823179994084 2.244238 0.0 267 84.99421605301141 2.246368 0.0 268 128.03294664992208 2.2486556 0.0 269 112.98616957074891 2.2508724 0.0 270 84.99752404478465 2.2561224 0.0 271 375.18363992871457 2.268596 0.0 272 84.99616852481235 2.2864463 0.0 273 103.01549676676424 2.2934272 0.0 274 109.9975902018593 2.3062665 0.0 275 351.1840320641739 2.3085027 0.0 276 373.16809367448616 2.3133655 0.0 277 115.00154763231647 2.3166273 0.0 278 191.01801066061464 2.3168297 0.0 279 85.00586984621926 2.317817 0.0 280 267.0651606452247 2.3192604 0.0 281 105.020792098674 2.3269048 0.0 282 117.01769955556756 2.3337593 0.0 283 310.9471965034651 2.3371599 0.0 284 104.02714690330906 2.3474338 0.0 285 104.03181389167824 2.3510003 0.0 286 104.02950892560364 2.3513978 0.0 287 163.02400485053408 2.354545 0.0 288 104.02830859158664 2.365157 0.0 289 84.9975269609288 2.3674026 0.0 290 84.99595107275458 2.3872533 0.0 291 165.01658605574357 2.4032707 0.0 292 102.01172921085318 2.4057627 0.0 293 84.9977074497625 2.4084735 0.0 294 84.9939457850215 2.4114416 0.0 295 103.01345583490324 2.4244297 0.0 296 85.01197509602889 2.4268968 0.0 297 231.02737957762045 2.4280038 0.0 298 104.027105542507 2.4418416 0.0 299 205.01220260279337 2.444776 0.0 300 105.01511030841044 2.4451075 0.0 301 104.02938491958574 2.445682 0.0 302 204.01574285124 2.4461598 0.0 303 204.00211229911903 2.44914 246806.1 304 204.9987881641672 2.44914 320813.57 305 105.0080554733686 2.450162 292090.885 306 84.9976532024941 2.4570622 0.0 307 135.96894745161205 2.4794931 0.0 308 104.03208805800412 2.4831045 0.0 309 102.00827525499176 2.484337 0.0 310 105.02088414601626 2.4844706 0.0 311 84.99406982702718 2.4888 0.0 312 112.98368387157473 2.4921973 0.0 313 104.02004249945186 2.4931593 0.0 314 160.9225700438608 2.4957252 477562.3 315 181.057633078282 2.5054827 1416609.45 316 163.02384812557705 2.5056057 0.0 317 103.01522644434608 2.5095277 0.0 318 181.06902620525312 2.5113983 0.0 319 310.94681372904495 2.524114 0.0 320 431.118115614354 2.568628 0.0 321 191.01766860664145 2.5687175 0.0 322 84.99579146361475 2.5715203 0.0 323 393.174898612623 2.578283 0.0 324 104.03174012243052 2.5947857 0.0 325 85.00586310665453 2.5952675 0.0 326 85.01199593192827 2.6055162 0.0 327 84.99410510478059 2.6205149 0.0 328 103.0133448716025 2.6269214 0.0 329 112.9836766359083 2.6337903 0.0 330 134.04574257973496 2.6393764 0.0 331 105.02084234461232 2.6419 0.0 332 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9.487847 0.0 1206 84.99996029970754 9.494523 0.0 1207 193.0051568765268 9.51389 0.0 1208 84.99820602042612 9.5152645 0.0 1209 192.99774382270184 9.547809 0.0 1210 96.96093973491396 9.580456 35296.4025 1211 133.0121853439021 9.616036 0.0 1212 84.99996547217734 9.62352 0.0 1213 193.0052006590628 9.658603 0.0 1214 104.02944260551348 9.672882 0.0 1215 104.02939529902984 9.700915 0.0 1216 169.97978627425974 9.720897 0.0 1217 192.9977881300076 9.7253895 0.0 1218 84.99999552467283 9.760493 0.0 1219 193.00547809351096 9.783005 0.0 1220 84.99732957210031 9.814279 0.0 1221 205.03474202714355 9.845625 0.0 1222 191.01957623486413 9.848939 0.0 1223 333.05981569544736 9.849311 0.0 1224 133.01281300356257 9.859079 0.0 1225 192.02118758375752 9.86278 0.0 1226 84.9957255187117 9.863864 0.0 1227 111.00682745530796 9.865051 0.0 1228 104.02708419251132 9.87672 0.0 1229 85.00557983835792 9.889857 0.0 1230 84.99762432959304 9.931873 0.0 1231 133.01274649847423 9.946368 0.0 1232 191.0268687167484 9.954715 0.0 1233 194.94495515837843 9.980871 0.0 1234 96.9680158871284 9.9874 0.0 1235 133.01769729194376 10.006827 0.0 1236 111.00680662528562 10.012509 0.0 1237 192.0211223830688 10.0247555 0.0 1238 205.0344398437794 10.028018 0.0 1239 84.99750951940221 10.038232 0.0 1240 104.0268431848184 10.038639 0.0 1241 191.0192807363593 10.044088 0.0 1242 209.02931722269184 10.048381 0.0 1243 96.96775385942264 10.072021 0.0 1244 84.99768513059902 10.075164 0.0 1245 84.99573129555434 10.079209 0.0 1246 111.00672333096546 10.083572 0.0 1247 205.03393023525595 10.097935 0.0 1248 191.02756245589123 10.098237 0.0 1249 133.01251969668152 10.1052265 0.0 1250 84.99992723760785 10.140889 0.0 1251 84.9948416074667 10.147513 0.0 1252 191.026919886467 10.206744 0.0 1253 133.01295435856116 10.219761 0.0 1254 84.99752210662851 10.221112 0.0 1255 191.02649819226508 10.232354 0.0 1256 191.02780541089857 10.258511 0.0 1257 85.0000003392911 10.276454 0.0 1258 104.02948476691716 10.278051 0.0 1259 84.9974864446873 10.309872 0.0 1260 193.0056041490412 10.335545 0.0 1261 133.0126824302871 10.369247 0.0 1262 103.01296685948432 10.384846 0.0 1263 84.99772906671897 10.415798 0.0 1264 84.9997517886407 10.441458 0.0 1265 103.01277573465744 10.527652 0.0 1266 192.9971504729343 10.534448 0.0 1267 84.99754827246677 10.563759 0.0 1268 191.02739157173025 10.578787 0.0 1269 84.99997768886392 10.613267 0.0 1270 84.99777112169394 10.631306 0.0 1271 192.9973722172469 10.636892 0.0 1272 169.97961205752986 10.703596 0.0 1273 112.98411575909256 10.72752 0.0 1274 193.00589278512092 10.756558 0.0 1275 84.99998434255917 10.758322 0.0 1276 85.00002507247154 10.76087 0.0 1277 96.9584850935349 10.772836 0.0 1278 192.9976864527168 10.794753 0.0 1279 191.0192062491525 10.807525 0.0 1280 84.9977462410396 10.824109 0.0 1281 112.98391229507978 10.82852 0.0 1282 133.01235562829092 10.849402 0.0 1283 85.00000565353558 10.889623 0.0 1284 192.99764285249563 10.896053 0.0 1285 103.01317080951058 10.911237 0.0 1286 96.95850104212047 10.911674 0.0 1287 191.01828777392035 10.917848 0.0 1288 191.0193807400778 10.924061 0.0 1289 169.97967989645207 10.939964 0.0 1290 84.99543615003896 10.950349 0.0 1291 192.9960648213348 10.95072 0.0 1292 84.99758803100208 10.96233 0.0 1293 85.00001340234458 10.971743 0.0 1294 158.9778102921241 10.98621 0.0 1295 114.9868123491334 10.986757 0.0 1296 159.97797505556449 10.987133 0.0 1297 111.98704876603352 10.98747 0.0 1298 155.97774473988724 10.987531 0.0 1299 386.9374429982775 10.988066 0.0 1300 272.9594304932351 10.988331 0.0 1301 269.95795356738745 10.988741 0.0 1302 130.98140845415932 10.990308 0.0 1303 312.9649913509528 10.99112 0.0 1304 289.948549293894 10.993488 0.0 1305 158.97694516665865 11.0571785 0.0 1306 84.99753994030777 11.076026 0.0 1307 169.9798236815123 11.12169 0.0 1308 103.0127473358693 11.128575 0.0 1309 84.99755601415455 11.152321 0.0 1310 192.99753841644028 11.161377 0.0 1311 84.9999840370216 11.173993 0.0 1312 193.00523559598625 11.177195 0.0 1313 96.95848330667954 11.2565775 0.0 1314 84.99761909367858 11.278473 0.0 1315 193.0053890453804 11.322409 0.0 1316 85.00001917671766 11.335128 0.0 1317 96.95850046090116 11.3736725 0.0 1318 84.997589701271 11.408951 0.0 1319 191.0180861589463 11.409723 0.0 1320 84.99980717000602 11.469478 0.0 1321 191.0179965244491 11.512101 0.0 1322 192.9976870574309 11.544554 0.0 1323 191.0184133870254 11.573254 0.0 1324 84.99747587887303 11.5899 0.0 1325 85.00001555116896 11.605562 0.0 1326 191.0178106052317 11.64722 0.0 1327 192.99747069536 11.691959 0.0 1328 104.02725513527236 11.712691 0.0 1329 174.95563347837913 11.759483 0.0 1330 84.99997776952927 11.760391 0.0 1331 304.9140259409222 11.762474 0.0 1332 84.99753590477381 11.766397 0.0 1333 174.96271780644037 11.84507 0.0 1334 193.00480551722248 11.854538 0.0 1335 84.99751403078383 11.918625 0.0 1336 85.0000177982939 11.948685 0.0 nf_output/MSNLIB-POSITIVE.mgf.tsv0000644000000000000000000000000114652135340015323 0ustar rootroot nf_output/metadata/0000755000000000000000000000000014652135335013366 5ustar rootrootnf_output/metadata/merged_metadata.tsv0000644000000000000000000001134214652135335017230 0ustar rootrootfilename sample_id internal_ID source_taxon condition_detailed ATTRIBUTE_condition sample_type 20221109_PMA_MAPP_01_22_001_neg.mzML MAPP_001 Medicago truncatula, Sinorhizobium meliloti WT1 WT sample 20221109_PMA_MAPP_01_22_002_neg.mzML MAPP_002 Medicago truncatula, Sinorhizobium meliloti WT1 WT sample 20221109_PMA_MAPP_01_22_003_neg.mzML MAPP_003 Medicago truncatula, Sinorhizobium meliloti WT2 WT sample 20221109_PMA_MAPP_01_22_004_neg.mzML MAPP_004 Medicago truncatula, Sinorhizobium meliloti WT2 WT sample 20221109_PMA_MAPP_01_22_005_neg.mzML MAPP_005 Medicago truncatula, Sinorhizobium meliloti WT3 WT sample 20221109_PMA_MAPP_01_22_006_neg.mzML MAPP_006 Medicago truncatula, Sinorhizobium meliloti WT3 WT sample 20221109_PMA_MAPP_01_22_007_neg.mzML MAPP_007 Medicago truncatula, Sinorhizobium meliloti WT4 WT sample 20221109_PMA_MAPP_01_22_008_neg.mzML MAPP_008 Medicago truncatula, Sinorhizobium meliloti WT4 WT sample 20221109_PMA_MAPP_01_22_009_neg.mzML MAPP_009 Medicago truncatula, Sinorhizobium meliloti HN1 HN sample 20221109_PMA_MAPP_01_22_010_neg.mzML MAPP_010 Medicago truncatula, Sinorhizobium meliloti HN1 HN sample 20221109_PMA_MAPP_01_22_011_neg.mzML MAPP_011 Medicago truncatula, Sinorhizobium meliloti HN2 HN sample 20221109_PMA_MAPP_01_22_012_neg.mzML MAPP_012 Medicago truncatula, Sinorhizobium meliloti HN2 HN sample 20221109_PMA_MAPP_01_22_013_neg.mzML MAPP_013 Medicago truncatula, Sinorhizobium meliloti HN3 HN sample 20221109_PMA_MAPP_01_22_014_neg.mzML MAPP_014 Medicago truncatula, Sinorhizobium meliloti HN3 HN sample 20221109_PMA_MAPP_01_22_015_neg.mzML MAPP_015 Medicago truncatula, Sinorhizobium meliloti HN4 HN sample 20221109_PMA_MAPP_01_22_016_neg.mzML MAPP_016 Medicago truncatula, Sinorhizobium meliloti HN4 HN sample 20221109_PMA_MAPP_01_22_017_neg.mzML MAPP_017 Medicago truncatula, Sinorhizobium meliloti NifH1 NifH sample 20221109_PMA_MAPP_01_22_018_neg.mzML MAPP_018 Medicago truncatula, Sinorhizobium meliloti NifH1 NifH sample 20221109_PMA_MAPP_01_22_019_neg.mzML MAPP_019 Medicago truncatula, Sinorhizobium meliloti NifH2 NifH sample 20221109_PMA_MAPP_01_22_020_neg.mzML MAPP_020 Medicago truncatula, Sinorhizobium meliloti NifH2 NifH sample 20221109_PMA_MAPP_01_22_021_neg.mzML MAPP_021 Medicago truncatula, Sinorhizobium meliloti NifH3 NifH sample 20221109_PMA_MAPP_01_22_022_neg.mzML MAPP_022 Medicago truncatula, Sinorhizobium meliloti NifH3 NifH sample 20221109_PMA_MAPP_01_22_023_neg.mzML MAPP_023 Medicago truncatula, Sinorhizobium meliloti NifH4 NifH sample 20221109_PMA_MAPP_01_22_024_neg.mzML MAPP_024 Medicago truncatula, Sinorhizobium meliloti NifH4 NifH sample 20221109_PMA_MAPP_01_22_025_neg.mzML MAPP_025 Medicago truncatula, Sinorhizobium meliloti Argon1 Argon sample 20221109_PMA_MAPP_01_22_026_neg.mzML MAPP_026 Medicago truncatula, Sinorhizobium meliloti Argon1 Argon sample 20221109_PMA_MAPP_01_22_027_neg.mzML MAPP_027 Medicago truncatula, Sinorhizobium meliloti Argon2 Argon sample 20221109_PMA_MAPP_01_22_028_neg.mzML MAPP_028 Medicago truncatula, Sinorhizobium meliloti Argon2 Argon sample 20221109_PMA_MAPP_01_22_029_neg.mzML MAPP_029 Medicago truncatula, Sinorhizobium meliloti Argon3 Argon sample 20221109_PMA_MAPP_01_22_030_neg.mzML MAPP_030 Medicago truncatula, Sinorhizobium meliloti Argon3 Argon sample 20221109_PMA_MAPP_01_22_031_neg.mzML MAPP_031 Medicago truncatula, Sinorhizobium meliloti Argon4 Argon sample 20221109_PMA_MAPP_01_22_032_neg.mzML MAPP_032 Medicago truncatula, Sinorhizobium meliloti Argon4 Argon sample 20221109_PMA_MAPP_01_22_033_neg_post_01.mzML MAPP_033 Medicago truncatula, Sinorhizobium meliloti C1 C sample 20221109_PMA_MAPP_01_22_033_neg_post_02.mzML MAPP_033 Medicago truncatula, Sinorhizobium meliloti C1 C sample 20221109_PMA_MAPP_01_22_033_neg.mzML MAPP_033 Medicago truncatula, Sinorhizobium meliloti C1 C sample 20221109_PMA_MAPP_01_22_034_neg.mzML MAPP_034 Medicago truncatula, Sinorhizobium meliloti C1 C sample 20221109_PMA_MAPP_01_22_035_neg.mzML MAPP_035 Medicago truncatula, Sinorhizobium meliloti C2 C sample 20221109_PMA_MAPP_01_22_036_neg.mzML MAPP_036 Medicago truncatula, Sinorhizobium meliloti C2 C sample 20221109_PMA_MAPP_01_22_QC01_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC02_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC03_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC04_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC05_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC06_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC 20221109_PMA_MAPP_01_22_QC00_neg.mzML QC Medicago truncatula, Sinorhizobium meliloti QC QC QC nf_output/PNNL-LIPIDS-POSITIVE.mgf.tsv0000644000000000000000000000000114652135337016076 0ustar rootroot nf_output/GNPS-SELLECKCHEM-FDA-PART2.mgf.tsv0000644000000000000000000000000114652135336016606 0ustar rootroot nf_output/CMMC-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335014724 0ustar rootroot nf_output/GNPS-LIBRARY.mgf.tsv0000644000000000000000000000000114652135340014750 0ustar rootroot nf_output/GNPS-PRESTWICKPHYTOCHEM.mgf.tsv0000644000000000000000000000000114652135335016504 0ustar rootroot nf_output/library/0000755000000000000000000000000014652135741013253 5ustar rootrootnf_output/library/merged_results_with_gnps.tsv0000644000000000000000000021135514652135741021126 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 CCMSLIB00010102475 1018 spectra_filtered.mgf BERKELEY-LAB.mgf 0.999503 2937000.0 0 6.86987 7 0.000900269 131.045 -1 temp/spectra_filtered.mgf1018 1 L-asparagine CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 131.046 0.0 1 N/A N/A N=C(O)C[C@H](N)C(=O)O """InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1""" N/A 3 Negative BERKELEY-LAB 131.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N DCXYFEDJOCDNAF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102475 CCMSLIB00004702110 709 spectra_filtered.mgf MONA.mgf 0.999382 35700000.0 0 78.4546 8 0.0142059 181.058 -1 temp/spectra_filtered.mgf709 1 Sorbitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011047 [M-H]- 181.072 0.0 1 N/A N/A OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 N/A 3 negative MONA 181.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702110 CCMSLIB00010102438 1024 spectra_filtered.mgf BERKELEY-LAB.mgf 0.999227 170100.0 0 16.0685 7 0.00210571 131.044 -1 temp/spectra_filtered.mgf1024 1 L-asparagine CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 131.046 0.0 1 N/A N/A N=C(O)C[C@H](N)C(=O)O """InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1""" N/A 3 Negative BERKELEY-LAB 131.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N DCXYFEDJOCDNAF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102438 CCMSLIB00006679373 152 spectra_filtered.mgf MONA.mgf 0.998897 1308800.0 0 0.0 8 0.0 218.103 -1 temp/spectra_filtered.mgf152 1 PANTOTHENIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037917 M-H 218.103 0.0 1 N/A N/A CC(C)(CO)[C@H](/C(=N/CCC(=O)O)/O)O """InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1""" N/A 3 negative MONA 218.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N GHOKWGTUZJEAQD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Fatty Acids and Conjugates Branched fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679373 CCMSLIB00010102727 919 spectra_filtered.mgf BERKELEY-LAB.mgf 0.998228 644000.0 0 12.3286 6 0.00180054 146.044 -1 temp/spectra_filtered.mgf919 1 2-acetamido-3-hydroxypropanoic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 146.046 0.0 1 N/A N/A CC(O)=NC(CO)C(=O)O """InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)""" N/A 3 Negative BERKELEY-LAB 146.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H9NO4 JJIHLJJYMXLCOY-UHFFFAOYSA-N JJIHLJJYMXLCOY Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102727 CCMSLIB00000578376 741 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.997537 955000.0 0 0.505618 7 9.15527e-05 181.071 -1 temp/spectra_filtered.mgf741 1 MANNITOL LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 181.071 182.079 0 69-65-8 6251 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 N/A 1 Negative GNPS-EMBL-MCF 181.071 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H14O6 FBPFZTCFMRRESA-UHFFFAOYSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578376 CCMSLIB00006678681 820 spectra_filtered.mgf MONA.mgf 0.997426 945700.0 0 6.73222 6 0.00120544 179.055 -1 temp/spectra_filtered.mgf820 1 GLUCOSE ESI Orbitrap isolated MoNA MoNA:MoNA038230 M-H 179.056 0.0 1 N/A N/A C([C@@H]1[C@H]([C@@H]([C@H](C(O)O1)O)O)O)O """InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1""" N/A 3 negative MONA 179.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006678681 CCMSLIB00004702110 719 spectra_filtered.mgf MONA.mgf 0.997217 389000.0 0 12.7246 8 0.00230408 181.07 -1 temp/spectra_filtered.mgf719 1 Sorbitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011047 [M-H]- 181.072 0.0 1 N/A N/A OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 N/A 3 negative MONA 181.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702110 CCMSLIB00004702110 706 spectra_filtered.mgf MONA.mgf 0.996852 6980000.0 0 3.37077 8 0.000610352 181.071 -1 temp/spectra_filtered.mgf706 1 Sorbitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011047 [M-H]- 181.072 0.0 1 N/A N/A OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 N/A 3 negative MONA 181.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702110 CCMSLIB00003139388 824 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.99605 911000.0 0 11.7601 7 0.00210571 179.054 -1 temp/spectra_filtered.mgf824 1 Spectral Match to D-(+)-Mannose from NIST14 ESI QQQ Isolated Data from Kevin Bush Data deposited by fevargas M-H 179.056 180.063 1 3458284 N/A C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 N/A 3 Negative GNPS-NIST14-MATCHES 179.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139388 CCMSLIB00006679276 1069 spectra_filtered.mgf MONA.mgf 0.995621 5581000.0 0 6.31057 8 0.00120544 191.019 -1 temp/spectra_filtered.mgf1069 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679276 1256 spectra_filtered.mgf MONA.mgf 0.995296 3866000.0 0 40.819 8 0.00779724 191.028 -1 temp/spectra_filtered.mgf1256 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00010102857 918 spectra_filtered.mgf BERKELEY-LAB.mgf 0.995115 7195000.0 0 6.76822 6 0.000900269 133.013 -1 temp/spectra_filtered.mgf918 1 D-malic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 133.014 0.0 1 N/A N/A O=C(O)C[C@@H](O)C(=O)O """InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1""" N/A 3 Negative BERKELEY-LAB 133.014 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H6O5 BJEPYKJPYRNKOW-UWTATZPHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102857 CCMSLIB00003139388 752 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.995013 1256700.0 0 5.62439 7 0.00100708 179.055 -1 temp/spectra_filtered.mgf752 1 Spectral Match to D-(+)-Mannose from NIST14 ESI QQQ Isolated Data from Kevin Bush Data deposited by fevargas M-H 179.056 180.063 1 3458284 N/A C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 N/A 3 Negative GNPS-NIST14-MATCHES 179.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139388 CCMSLIB00006679276 1232 spectra_filtered.mgf MONA.mgf 0.99482 5014000.0 0 36.106 8 0.00689697 191.027 -1 temp/spectra_filtered.mgf1232 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00010102857 1046 spectra_filtered.mgf BERKELEY-LAB.mgf 0.994797 881800.0 0 10.5538 6 0.00140381 133.013 -1 temp/spectra_filtered.mgf1046 1 D-malic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 133.014 0.0 1 N/A N/A O=C(O)C[C@@H](O)C(=O)O """InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1""" N/A 3 Negative BERKELEY-LAB 133.014 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H6O5 BJEPYKJPYRNKOW-UWTATZPHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102857 CCMSLIB00006679276 1241 spectra_filtered.mgf MONA.mgf 0.994115 4157400.0 0 3.67451 8 0.000701904 191.019 -1 temp/spectra_filtered.mgf1241 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006680002 384 spectra_filtered.mgf MONA.mgf 0.9934 1472200.0 0 3.67317 12 0.000900269 245.092 -1 temp/spectra_filtered.mgf384 1 N-ACETYLTRYPTOPHAN ESI Orbitrap isolated MoNA MoNA:MoNA038157 M-H 245.093 0.0 1 N/A N/A C/C(=N/C(CC1=CNC2=C1C=CC=C2)C(=O)O)/O """InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)""" N/A 3 negative MONA 245.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C13H14N2O3 DZTHIGRZJZPRDV-UHFFFAOYSA-N DZTHIGRZJZPRDV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Tryptophan alkaloids Simple indole alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006680002 CCMSLIB00010102857 1235 spectra_filtered.mgf BERKELEY-LAB.mgf 0.993348 502500.0 0 27.7612 6 0.00369263 133.018 -1 temp/spectra_filtered.mgf1235 1 D-malic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 133.014 0.0 1 N/A N/A O=C(O)C[C@@H](O)C(=O)O """InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1""" N/A 3 Negative BERKELEY-LAB 133.014 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H6O5 BJEPYKJPYRNKOW-UWTATZPHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102857 CCMSLIB00006679276 921 spectra_filtered.mgf MONA.mgf 0.993338 12678000.0 0 2.63606 8 0.00050354 191.02 -1 temp/spectra_filtered.mgf921 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679276 1268 spectra_filtered.mgf MONA.mgf 0.992783 2322800.0 0 38.7421 8 0.00740051 191.027 -1 temp/spectra_filtered.mgf1268 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006683470 1252 spectra_filtered.mgf MONA.mgf 0.99216 4025000.0 0 36.106 8 0.00689697 191.027 -1 temp/spectra_filtered.mgf1252 1 CITRIC ACID ESI qTof isolated MoNA MoNA:MoNA034872 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006683470 CCMSLIB00006679276 609 spectra_filtered.mgf MONA.mgf 0.991954 2210000.0 0 4.23367 8 0.000808716 191.019 -1 temp/spectra_filtered.mgf609 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00005464466 378 spectra_filtered.mgf GNPS-MSMLS.mgf 0.991939 388200.0 0 7.34634 12 0.00180054 245.091 -1 temp/spectra_filtered.mgf378 1 N-ACETYLTRYPTOPHAN ESI Orbitrap Commercial Dorrestein Kelly Weldon M-H 245.093 246.1 -1 87-32-1 N/A CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O """InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1""" N/A 1 Negative GNPS-MSMLS 245.093 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H14N2O3 DZTHIGRZJZPRDV-LBPRGKRZSA-N DZTHIGRZJZPRDV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005464466 CCMSLIB00010124818 224 spectra_filtered.mgf BERKELEY-LAB.mgf 0.991193 2702500.0 0 10.6118 6 0.00170898 161.044 -1 temp/spectra_filtered.mgf224 1 MEGLUTOL CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 161.046 0.0 1 N/A N/A CC(O)(CC(=O)O)CC(=O)O """InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)""" N/A 3 Negative BERKELEY-LAB 161.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N NPOAOTPXWNWTSH Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010124818 CCMSLIB00006679276 1222 spectra_filtered.mgf MONA.mgf 0.990767 5478000.0 0 2.07689 8 0.000396729 191.02 -1 temp/spectra_filtered.mgf1222 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679276 1019 spectra_filtered.mgf MONA.mgf 0.990684 1351900.0 0 5.27212 8 0.00100708 191.019 -1 temp/spectra_filtered.mgf1019 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00003139388 750 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.990428 677400.0 0 12.8679 7 0.00230408 179.054 -1 temp/spectra_filtered.mgf750 1 Spectral Match to D-(+)-Mannose from NIST14 ESI QQQ Isolated Data from Kevin Bush Data deposited by fevargas M-H 179.056 180.063 1 3458284 N/A C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 N/A 3 Negative GNPS-NIST14-MATCHES 179.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003139388 CCMSLIB00010102857 1000 spectra_filtered.mgf BERKELEY-LAB.mgf 0.990377 2560600.0 0 7.57123 6 0.00100708 133.013 -1 temp/spectra_filtered.mgf1000 1 D-malic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 133.014 0.0 1 N/A N/A O=C(O)C[C@@H](O)C(=O)O """InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1""" N/A 3 Negative BERKELEY-LAB 133.014 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H6O5 BJEPYKJPYRNKOW-UWTATZPHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102857 CCMSLIB00006679276 1255 spectra_filtered.mgf MONA.mgf 0.990151 4081000.0 0 34.0291 8 0.00650024 191.027 -1 temp/spectra_filtered.mgf1255 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00005463597 961 spectra_filtered.mgf GNPS-MSMLS.mgf 0.989273 16752000.0 0 2.8629 9 0.000976562 341.11 -1 temp/spectra_filtered.mgf961 1 SUCROSE ESI Orbitrap Commercial Dorrestein Fernando Vargas M-H 341.109 342.116 -1 57-50-1 na OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O """InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1""" N/A 1 Negative GNPS-MSMLS 341.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005463597 CCMSLIB00006125014 1027 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.988837 2040000.0 0 8.37424 6 0.00111389 133.013 -1 temp/spectra_filtered.mgf1027 1 L-(?)-Malic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 133.014 0.0 1 N/A C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 133.014 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125014 CCMSLIB00006679276 610 spectra_filtered.mgf MONA.mgf 0.988184 1636600.0 0 9.42591 8 0.00180054 191.018 -1 temp/spectra_filtered.mgf610 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679276 1248 spectra_filtered.mgf MONA.mgf 0.988058 2728600.0 0 39.7805 7 0.00759888 191.028 -1 temp/spectra_filtered.mgf1248 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006125014 1171 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.986677 480100.0 0 12.0451 6 0.00160217 133.012 -1 temp/spectra_filtered.mgf1171 1 L-(?)-Malic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 133.014 0.0 1 N/A C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 133.014 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N BJEPYKJPYRNKOW Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty Acids and Conjugates Dicarboxylic acids|Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125014 CCMSLIB00006679276 1021 spectra_filtered.mgf MONA.mgf 0.985902 1041400.0 0 10.4644 8 0.0019989 191.018 -1 temp/spectra_filtered.mgf1021 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679685 1242 spectra_filtered.mgf MONA.mgf 0.985384 154600.0 0 3.35791 9 0.000701904 209.029 -1 temp/spectra_filtered.mgf1242 1 GALACTARIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037836 M-H 209.03 0.0 1 N/A N/A [C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O """InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-""" N/A 3 negative MONA 209.03 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H10O8 DSLZVSRJTYRBFB-DUHBMQHGSA-N DSLZVSRJTYRBFB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679685 CCMSLIB00004716513 441 spectra_filtered.mgf MONA.mgf 0.985261 402500.0 0 19.1345 7 0.00331116 173.043 -1 temp/spectra_filtered.mgf441 1 Shikimic Acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF025450 [M-H]- 173.046 0.0 1 N/A N/A O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 N/A 3 negative MONA 173.046 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H10O5 JXOHGGNKMLTUBP-HSUXUTPPSA-N JXOHGGNKMLTUBP Organic oxygen compounds Organooxygen compounds Alcohols and polyols Phenolic acids (C6-C1) Shikimic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004716513 CCMSLIB00000479610 994 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.983629 1293400.0 0 83.7882 7 0.0160065 191.019 -1 temp/spectra_filtered.mgf994 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00012334073 40 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.982481 296700.0 0 16.0663 7 0.00300598 187.095 -1 temp/spectra_filtered.mgf40 1 azelaic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 187.098 188.105 1 N/A N/A O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 187.098 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N BDJRBEYXGGNYIS Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012334073 CCMSLIB00006679276 998 spectra_filtered.mgf MONA.mgf 0.98242 756500.0 0 10.4644 7 0.0019989 191.018 -1 temp/spectra_filtered.mgf998 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679276 959 spectra_filtered.mgf MONA.mgf 0.981836 990500.0 0 10.4644 7 0.0019989 191.018 -1 temp/spectra_filtered.mgf959 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00012293459 439 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.976062 544100.0 0 13.1004 8 0.00250244 191.018 -1 temp/spectra_filtered.mgf439 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00012293459 376 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.975532 568600.0 0 12.062 8 0.00230408 191.018 -1 temp/spectra_filtered.mgf376 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00010102471 374 spectra_filtered.mgf BERKELEY-LAB.mgf 0.974275 599000.0 0 3.70386 7 0.000900269 243.061 -1 temp/spectra_filtered.mgf374 1 uridine CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 243.062 0.0 1 N/A N/A O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O """InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1""" N/A 3 Negative BERKELEY-LAB 243.062 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N DRTQHJPVMGBUCF N/A N/A N/A Nucleosides Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00010102471 CCMSLIB00000578096 805 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.974002 541800.0 0 6.23072 7 0.00119019 191.018 -1 temp/spectra_filtered.mgf805 1 CITRATE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 191.019 192.027 0 77-92-9 311 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) N/A 1 Negative GNPS-EMBL-MCF 191.019 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578096 CCMSLIB00000578096 1047 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.97377 442800.0 0 5.19227 7 0.000991821 191.018 -1 temp/spectra_filtered.mgf1047 1 CITRATE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 191.019 192.027 0 77-92-9 311 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) N/A 1 Negative GNPS-EMBL-MCF 191.019 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578096 CCMSLIB00006679584 784 spectra_filtered.mgf MONA.mgf 0.973584 479700.0 0 16.2158 6 0.00309753 191.017 -1 temp/spectra_filtered.mgf784 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037731 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679584 CCMSLIB00006679276 460 spectra_filtered.mgf MONA.mgf 0.973153 927900.0 0 11.0235 7 0.00210571 191.018 -1 temp/spectra_filtered.mgf460 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037792 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679276 CCMSLIB00006679584 1287 spectra_filtered.mgf MONA.mgf 0.972524 881400.0 0 8.94662 7 0.00170898 191.018 -1 temp/spectra_filtered.mgf1287 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037731 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679584 CCMSLIB00012293459 278 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.972118 379400.0 0 10.4644 9 0.0019989 191.018 -1 temp/spectra_filtered.mgf278 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00004702807 39 spectra_filtered.mgf MONA.mgf 0.971347 929900.0 0 79.6793 6 0.0149078 187.083 -1 temp/spectra_filtered.mgf39 1 AZELAIC ACID N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF011744 [M-H]- 187.098 0.0 1 N/A N/A O=C(O)CCCCCCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) N/A 3 negative MONA 187.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N BDJRBEYXGGNYIS Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Dicarboxylic acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004702807 CCMSLIB00006678861 647 spectra_filtered.mgf MONA.mgf 0.970886 309900.0 0 13.3792 6 0.00239563 179.054 -1 temp/spectra_filtered.mgf647 1 PSICOSE ESI Orbitrap isolated MoNA MoNA:MoNA037789 M-H 179.056 0.0 1 N/A N/A C1[C@H]([C@H]([C@H](C(CO)(O)O1)O)O)O """InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1""" N/A 3 negative MONA 179.056 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H12O6 LKDRXBCSQODPBY-JDJSBBGDSA-N LKDRXBCSQODPBY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006678861 CCMSLIB00012293459 466 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.970365 580000.0 0 7.34901 9 0.00140381 191.019 -1 temp/spectra_filtered.mgf466 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00000479610 1319 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.969634 597800.0 0 88.5007 7 0.0169067 191.018 -1 temp/spectra_filtered.mgf1319 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00012433024 320 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.969501 1369200.0 0 4.38878 8 0.00189209 431.118 -1 temp/spectra_filtered.mgf320 1 Licoagroside B ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 431.12 432.127 1 N/A N/A Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)cco1 InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1 WCVUIHQUPRXYKT-RGCIIANRSA-N 1 Negative MSNLIB-NEGATIVE 431.12 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H24O12 WCVUIHQUPRXYKT-RGCIIANRSA-N WCVUIHQUPRXYKT N/A N/A N/A mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012433024 CCMSLIB00006683474 1081 spectra_filtered.mgf MONA.mgf 0.969196 1985300.0 0 9.67583 6 0.00169373 175.045 -1 temp/spectra_filtered.mgf1081 1 ALLANTOIC ACID ESI qTof isolated MoNA MoNA:MoNA035212 M-H 175.047 0.0 1 N/A N/A C(C(=O)O)(NC(=N)O)NC(=N)O """InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)""" N/A 3 negative MONA 175.047 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C4H8N4O4 NUCLJNSWZCHRKL-UHFFFAOYSA-N NUCLJNSWZCHRKL Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006683474 CCMSLIB00012293459 407 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.969001 378900.0 0 13.1004 8 0.00250244 191.018 -1 temp/spectra_filtered.mgf407 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00006113933 640 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.968643 965200.0 0 13.409 6 0.00210571 157.035 -1 temp/spectra_filtered.mgf640 1 Allantoin - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 157.037 0.0 1 N/A C1(C(=NC(=N1)O)O)NC(=N)O InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 157.037 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H6N4O3 POJWUDADGALRAB-UHFFFAOYSA-N POJWUDADGALRAB Organoheterocyclic compounds Azoles Imidazoles mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006113933 CCMSLIB00000479610 1323 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.968579 694900.0 0 86.9033 7 0.0166016 191.018 -1 temp/spectra_filtered.mgf1323 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00000479610 549 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.967036 732400.0 0 90.0183 7 0.0171967 191.018 -1 temp/spectra_filtered.mgf549 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00000479610 1288 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.966454 1048300.0 0 81.7114 7 0.0156097 191.019 -1 temp/spectra_filtered.mgf1288 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00000578096 1321 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.965689 530200.0 0 5.19227 7 0.000991821 191.018 -1 temp/spectra_filtered.mgf1321 1 CITRATE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 191.019 192.027 0 77-92-9 311 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) N/A 1 Negative GNPS-EMBL-MCF 191.019 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578096 CCMSLIB00012258303 247 spectra_filtered.mgf CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0.965143 251500.0 0 5.84934 6 0.00120544 206.081 -1 temp/spectra_filtered.mgf247 1 N-Acetyl-DL-phenylalanine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H]- 206.082 207.09 1 N/A N/A CC(=O)NC(Cc1ccccc1)C(=O)O """InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)""" CBQJSKKFNMDLON-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-NEGATIVE-LIBRARY 206.082 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H13NO3 CBQJSKKFNMDLON-UHFFFAOYSA-N CBQJSKKFNMDLON Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012258303 CCMSLIB00012293459 509 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.963164 599300.0 0 13.1004 9 0.00250244 191.018 -1 temp/spectra_filtered.mgf509 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00004694328 739 spectra_filtered.mgf MONA.mgf 0.963156 634800.0 0 13.8201 8 0.00250244 181.07 -1 temp/spectra_filtered.mgf739 1 Mannitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003265 [M-H]- 181.072 0.0 1 N/A N/A OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 N/A 3 negative MONA 181.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004694328 CCMSLIB00006679584 659 spectra_filtered.mgf MONA.mgf 0.961749 672300.0 0 11.0235 6 0.00210571 191.018 -1 temp/spectra_filtered.mgf659 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037731 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679584 CCMSLIB00012293459 1326 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.960968 389300.0 0 11.5028 8 0.00219727 191.018 -1 temp/spectra_filtered.mgf1326 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00000479610 1279 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.96091 794800.0 0 82.7498 7 0.0158081 191.019 -1 temp/spectra_filtered.mgf1279 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00006679584 663 spectra_filtered.mgf MONA.mgf 0.958296 937700.0 0 5.27212 6 0.00100708 191.019 -1 temp/spectra_filtered.mgf663 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037731 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679584 CCMSLIB00000479610 767 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.958171 456000.0 0 90.0183 7 0.0171967 191.018 -1 temp/spectra_filtered.mgf767 1 Citric acid DI-ESI Orbitrap Commercial Alexandrov Theodore Prasad M-H 191.035 192.027 1 77-92-9 19782904 N/A """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative GNPS-EMBL-MCF 191.035 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:CCMSLIB00000479610 CCMSLIB00012352986 1153 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.955762 234300.0 0 8.21412 9 0.00160217 195.049 -1 temp/spectra_filtered.mgf1153 1 gluconic acid ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 195.051 196.058 1 N/A N/A O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 RGHNJXZEOKUKBD-SQOUGZDYSA-N 1 Negative MSNLIB-NEGATIVE 195.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N RGHNJXZEOKUKBD Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012352986 CCMSLIB00012293459 20 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.954968 312400.0 0 8.94662 8 0.00170898 191.018 -1 temp/spectra_filtered.mgf20 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00006126681 1072 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.950912 2418300.0 0 2.8766 6 0.00050354 175.046 -1 temp/spectra_filtered.mgf1072 1 Allantoic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 175.047 0.0 1 N/A C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 175.047 UPDATE-SINGLE-ANNOTATED-GOLD Gold C4H8N4O4 NUCLJNSWZCHRKL-UHFFFAOYSA-N NUCLJNSWZCHRKL Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Pseudoalkaloids Purine alkaloids Alkaloids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006126681 CCMSLIB00012334707 748 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.949151 152200.0 0 11.1189 6 0.00250244 225.059 -1 temp/spectra_filtered.mgf748 1 alpha-D-glucose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 225.062 180.063 1 N/A N/A OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N 1 Negative MSNLIB-NEGATIVE 225.062 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012334707 CCMSLIB00006112686 1097 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.948326 321600.0 0 6.64953 9 0.001297 195.05 -1 temp/spectra_filtered.mgf1097 1 1726059 - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 195.051 0.0 1 N/A C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 195.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O7 RGHNJXZEOKUKBD-MGCNEYSASA-N RGHNJXZEOKUKBD Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112686 CCMSLIB00012293459 587 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.947604 672900.0 0 13.1004 8 0.00250244 191.018 -1 temp/spectra_filtered.mgf587 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00012326381 755 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.944939 241800.0 0 5.76284 6 0.001297 225.061 -1 temp/spectra_filtered.mgf755 1 L-Glucose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 225.062 180.063 1 N/A N/A O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1 GZCGUPFRVQAUEE-VANKVMQKSA-N 1 Negative MSNLIB-NEGATIVE 225.062 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 GZCGUPFRVQAUEE-VANKVMQKSA-N GZCGUPFRVQAUEE Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012326381 CCMSLIB00012334707 819 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.943515 255800.0 0 4.40688 6 0.000991821 225.061 -1 temp/spectra_filtered.mgf819 1 alpha-D-glucose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 225.062 180.063 1 N/A N/A OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N 1 Negative MSNLIB-NEGATIVE 225.062 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N WQZGKKKJIJFFOK Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides|Flavonoids Disaccharides|Flavones|Monosaccharides|Polysaccharides Carbohydrates|Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012334707 CCMSLIB00005719626 707 spectra_filtered.mgf LDB_NEGATIVE.mgf 0.943503 476500.0 0 2.62067 7 0.000595093 227.076 -1 temp/spectra_filtered.mgf707 1 D-Mannitol LC-ESI Orbitrap Isolated Jean-Luc WOLFENDER Pierre-Marie ALLARD Damien OLIVIER [M-H+HCOOH] 227.077 182.079 1 N/A N/A OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO """InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1""" N/A 3 Negative LDB_NEGATIVE 227.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005719626 CCMSLIB00000578370 1009 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.940894 365000.0 0 10.6522 10 0.00190735 179.054 -1 temp/spectra_filtered.mgf1009 1 D-FRUCTOSE LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 179.056 180.063 0 57-48-7 439163 OCC(=O)[C@@H](O)[C@@H](O)[C@@H](O)CO InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 179.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O6 BJHIKXHVCXFQLS-ZXEDONINSA-N BJHIKXHVCXFQLS Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578370 CCMSLIB00012340446 960 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.938868 31030000.0 0 6.14902 10 0.00238037 387.116 -1 temp/spectra_filtered.mgf960 1 sucrose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 387.114 342.116 1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 1 Negative MSNLIB-NEGATIVE 387.114 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012340446 CCMSLIB00012293459 576 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.937169 424700.0 0 14.1389 8 0.00270081 191.017 -1 temp/spectra_filtered.mgf576 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00006679584 482 spectra_filtered.mgf MONA.mgf 0.932687 755600.0 0 10.4644 6 0.0019989 191.018 -1 temp/spectra_filtered.mgf482 1 CITRIC ACID ESI Orbitrap isolated MoNA MoNA:MoNA037731 M-H 191.02 0.0 1 N/A N/A C(C(=O)O)C(CC(=O)O)(C(=O)O)O """InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)""" N/A 3 negative MONA 191.02 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006679584 CCMSLIB00012405947 525 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.930711 742900.0 0 5.33021 18 0.00231934 435.128 -1 temp/spectra_filtered.mgf525 1 Coatlin A ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 435.13 436.137 1 N/A N/A O=C(c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc1)C(O)Cc1ccc(O)cc1 InChI=1S/C21H24O10/c22-8-14-18(28)19(29)20(30)21(31-14)15-12(24)6-5-11(17(15)27)16(26)13(25)7-9-1-3-10(23)4-2-9/h1-6,13-14,18-25,27-30H,7-8H2/t13?,14-,18-,19+,20-,21+/m1/s1 CSATWRZOLKGPRW-KXIDKYMXSA-N 1 Negative MSNLIB-NEGATIVE 435.13 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H24O10 CSATWRZOLKGPRW-KXIDKYMXSA-N CSATWRZOLKGPRW Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Flavonoids Chalcones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012405947 CCMSLIB00005719626 716 spectra_filtered.mgf LDB_NEGATIVE.mgf 0.928773 2081000.0 0 73.9834 7 0.0167999 227.06 -1 temp/spectra_filtered.mgf716 1 D-Mannitol LC-ESI Orbitrap Isolated Jean-Luc WOLFENDER Pierre-Marie ALLARD Damien OLIVIER [M-H+HCOOH] 227.077 182.079 1 N/A N/A OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO """InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1""" N/A 3 Negative LDB_NEGATIVE 227.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N FBPFZTCFMRRESA Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005719626 CCMSLIB00003140202 1002 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.919662 147500.0 0 13.0433 6 0.00189209 145.06 -1 temp/spectra_filtered.mgf1002 1 Spectral Match to L-Glutamine from NIST14 ESI HCD Isolated Data from Kevin Bush Data deposited by fevargas M-H 145.062 0.0 1 56859 N/A N/A N/A N/A 3 Negative GNPS-NIST14-MATCHES 145.062 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:CCMSLIB00003140202 CCMSLIB00006112686 1117 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.90548 185100.0 0 8.6835 8 0.00169373 195.049 -1 temp/spectra_filtered.mgf1117 1 1726059 - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 195.051 0.0 1 N/A C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 195.051 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H12O7 RGHNJXZEOKUKBD-MGCNEYSASA-N RGHNJXZEOKUKBD Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112686 CCMSLIB00006126553 492 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.904999 651100.0 0 11.5537 7 0.0019989 173.007 -1 temp/spectra_filtered.mgf492 1 DEHYDROASCORBIC ACID - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 173.009 0.0 1 N/A C(C(C1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 173.009 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H6O6 SBJKKFFYIZUCET-UHFFFAOYSA-N SBJKKFFYIZUCET Organoheterocyclic compounds Lactones Gamma butyrolactones Polyketides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006126553 CCMSLIB00012293459 498 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.903795 418600.0 0 14.1389 8 0.00270081 191.017 -1 temp/spectra_filtered.mgf498 1 citric acid (Chimeric precursor selection) ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 191.02 192.027 1 N/A N/A O=C(O)CC(O)(CC(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N 1 Negative MSNLIB-NEGATIVE 191.02 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N KRKNYBCHXYNGOX Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012293459 CCMSLIB00006125340 338 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.903221 575900.0 0 7.95168 7 0.00149536 188.055 -1 temp/spectra_filtered.mgf338 1 N-Acetyl-DL-glutamic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 188.056 0.0 1 N/A CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 188.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N RFMMMVDNIPUKGG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125340 CCMSLIB00012294255 375 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.885053 348200.0 0 4.85633 6 0.00140381 289.067 -1 temp/spectra_filtered.mgf375 1 3083-77-0 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+FA]- 289.068 244.07 1 N/A N/A O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1 DRTQHJPVMGBUCF-CCXZUQQUSA-N 1 Negative MSNLIB-NEGATIVE 289.068 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H12N2O6 DRTQHJPVMGBUCF-CCXZUQQUSA-N DRTQHJPVMGBUCF N/A N/A N/A Nucleosides Pyrimidine nucleos(t)ides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012294255 CCMSLIB00004683510 454 spectra_filtered.mgf SUMNER.mgf 0.873922 571400.0 0 7.82114 10 0.00338745 433.112 -1 temp/spectra_filtered.mgf454 1 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV LC-ESI impact HD Isolated Sumner Sumner M-H 433.115 0.0 1 N/A N/A c1(ccc2c(c1)OCC(C2=O)(c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O InChI=1S/C21H22O10/c22-8-15-16(25)17(26)18(27)20(30-15)31-21(10-1-3-11(23)4-2-10)9-29-14-7-12(24)5-6-13(14)19(21)28/h1-7,15-18,20,22-27H,8-9H2/t15-,16-,17+,18-,20+,21?/m1/s1 N/A 3 Negative SUMNER 433.115 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H22O10 BTODFHHNMFOZHK-FEUJFKKFSA-N BTODFHHNMFOZHK Phenylpropanoids and polyketides Isoflavonoids Isoflavans Isoflavonoids Isoflavanones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004683510 CCMSLIB00006113163 1041 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.872258 194000.0 0 4.33583 10 0.00167847 387.113 -1 temp/spectra_filtered.mgf1041 1 beta-Lactose - 40.0 eV ESI Orbitrap Isolated PI Data Collector Unknown 387.115 0.0 1 N/A C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 387.115 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 GUBGYTABKSRVRQ-DCSYEGIMSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006113163 CCMSLIB00004719612 668 spectra_filtered.mgf MONA.mgf 0.834755 367300.0 0 3.63545 8 0.000701904 193.071 -1 temp/spectra_filtered.mgf668 1 Quebrachitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026692 [M-H]- 193.072 0.0 1 N/A N/A COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 N/A 3 negative MONA 193.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H14O6 DSCFFEYYQKSRSV-UHFFFAOYSA-N DSCFFEYYQKSRSV Organic oxygen compounds Organooxygen compounds Alcohols and polyols Polyols Cyclitols Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719612 CCMSLIB00012354280 1100 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.833767 243800.0 0 0.271607 9 9.15527e-05 337.078 -1 temp/spectra_filtered.mgf1100 1 129499-78-1 ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M-H]- 337.078 338.085 1 N/A N/A O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 MLSJBGYKDYSOAE-DCWMUDTNSA-N 1 Negative MSNLIB-NEGATIVE 337.078 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H18O11 MLSJBGYKDYSOAE-DCWMUDTNSA-N MLSJBGYKDYSOAE Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Saccharides Monosaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012354280 CCMSLIB00006125340 337 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.832053 462000.0 0 12.7389 6 0.00239563 188.054 -1 temp/spectra_filtered.mgf337 1 N-Acetyl-DL-glutamic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 188.056 0.0 1 N/A CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 188.056 UPDATE-SINGLE-ANNOTATED-GOLD Gold C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N RFMMMVDNIPUKGG Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006125340 CCMSLIB00005740091 930 spectra_filtered.mgf MASSBANK.mgf 0.80194 1201700.0 0 0.515694 7 0.000183105 355.066 -1 temp/spectra_filtered.mgf930 1 Massbank:PR309201 Coumaroyl + C6H9O8 (isomer of 843, 844, 846) ESI qTof Isolated Massbank Massbank M-H 355.066 0.0 1 N/A N/A O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=CC1=CC=C(O)C=C1 1S/C15H16O10/c16-8-4-1-7(2-5-8)3-6-9(17)25-13(15(23)24)11(19)10(18)12(20)14(21)22/h1-6,10-13,16,18-20H,(H,21,22)(H,23,24) N/A 3 Negative MASSBANK 355.066 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H16O10 LWEUFDJHDOPWFE-UHFFFAOYSA-N LWEUFDJHDOPWFE Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Phenylpropanoids (C6-C3) Cinnamic acids and derivatives Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00005740091 CCMSLIB00000578273 908 spectra_filtered.mgf GNPS-EMBL-MCF.mgf 0.76409 439200.0 0 459.231 7 0.095993 208.934 -1 temp/spectra_filtered.mgf908 1 D-SACCHARIC ACID LC-ESI Q-Exactive Plus Commercial standard Alexandrov Theodore Prasad M-H 209.03 210.038 0 576-42-1 33037 [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 N/A 1 Negative GNPS-EMBL-MCF 209.03 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N DSLZVSRJTYRBFB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00000578273 CCMSLIB00004719612 670 spectra_filtered.mgf MONA.mgf 0.761909 413000.0 0 11.4596 7 0.00221252 193.07 -1 temp/spectra_filtered.mgf670 1 Quebrachitol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026692 [M-H]- 193.072 0.0 1 N/A N/A COC1C(O)C(O)C(O)C(O)C1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3 N/A 3 negative MONA 193.072 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C7H14O6 DSCFFEYYQKSRSV-UHFFFAOYSA-N DSCFFEYYQKSRSV Organic oxygen compounds Organooxygen compounds Alcohols and polyols Polyols Cyclitols Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00004719612 CCMSLIB00006112861 904 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.755551 409000.0 0 172.202 8 0.0359955 209.066 -1 temp/spectra_filtered.mgf904 1 Saccharic acid - 40.0 eV ESI Orbitrap Isolated PI Data Collector M-H 209.03 0.0 1 N/A [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 209.03 UPDATE-SINGLE-ANNOTATED-GOLD Gold C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N DSLZVSRJTYRBFB Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Fatty Acids and Conjugates Hydroxy fatty acids Fatty acids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00006112861 CCMSLIB00012340437 953 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.743773 604600.0 0 1.86139 7 0.000701904 377.087 -1 temp/spectra_filtered.mgf953 1 sucrose ESI Orbitrap Crude Tomas Pluskal Corinna Brungs [M+Cl]- 377.086 342.116 1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 1 Negative MSNLIB-NEGATIVE 377.086 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N CZMRCDWAGMRECN Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012340437 CCMSLIB00012430812 645 spectra_filtered.mgf MSNLIB-NEGATIVE.mgf 0.7095 473400.0 0 4.8925 7 0.00219727 449.107 -1 temp/spectra_filtered.mgf645 1 Hovetrichoside C ESI Orbitrap Isolated Tomas Pluskal Corinna Brungs [M-H]- 449.109 450.116 1 N/A N/A O=C1c2c(cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC1(O)Cc1ccc(O)cc1 InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21?/m1/s1 KJIWCKSQHHNTTL-CTAUWVKESA-N 1 Negative MSNLIB-NEGATIVE 449.109 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H22O11 KJIWCKSQHHNTTL-CTAUWVKESA-N KJIWCKSQHHNTTL Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Aurones Shikimates and Phenylpropanoids mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00012430812 nf_output/MMV_NEGATIVE.mgf.tsv0000644000000000000000000000000114652135335015024 0ustar rootroot nf_output/library_intermediate/0000755000000000000000000000000014652135731016004 5ustar rootrootnf_output/library_intermediate/merged_results.tsv0000644000000000000000000005707014652135731021577 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 1018 spectra_filtered.mgf *..* :41 487 -1 0 131.046 -1 0.999503 0 0 1981080.0 2937000.0 L-asparagine CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf1018 -1 BERKELEY-LAB.mgf 6.86987 7 0 0.000900269 131.045 0 CCMSLIB00010102475 709 spectra_filtered.mgf *..* :11047 29510 -1 0 181.072 -1 0.999382 0 0 376.766 35700000.0 Sorbitol [M-H]- MONA temp/spectra_filtered.mgf709 -1 MONA.mgf 78.4546 8 0 0.0142059 181.058 0 CCMSLIB00004702110 1024 spectra_filtered.mgf *..* :4 450 -1 0 131.046 -1 0.999227 0 0 6266080.0 170100.0 L-asparagine CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf1024 -1 BERKELEY-LAB.mgf 16.0685 7 0 0.00210571 131.044 0 CCMSLIB00010102438 152 spectra_filtered.mgf *..* :1103 50344 -1 0 218.103 -1 0.998897 0 0 154.3 1308800.0 PANTOTHENIC ACID M-H MONA temp/spectra_filtered.mgf152 -1 MONA.mgf 0.0 8 0 0.0 218.103 0 CCMSLIB00006679373 919 spectra_filtered.mgf *..* :293 739 -1 0 146.046 -1 0.998228 0 0 20631400.0 644000.0 2-acetamido-3-hydroxypropanoic acid CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf919 -1 BERKELEY-LAB.mgf 12.3286 6 0 0.00180054 146.044 0 CCMSLIB00010102727 741 spectra_filtered.mgf *..* :668 582 -1 0 181.071 -1 0.997537 0 0 21386900.0 955000.0 MANNITOL M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf741 -1 GNPS-EMBL-MCF.mgf 0.505618 7 0 9.15527e-05 181.071 0 CCMSLIB00000578376 820 spectra_filtered.mgf *..* :411 49652 -1 0 179.056 -1 0.997426 0 0 247.5 945700.0 GLUCOSE M-H MONA temp/spectra_filtered.mgf820 -1 MONA.mgf 6.73222 6 0 0.00120544 179.055 0 CCMSLIB00006678681 719 spectra_filtered.mgf *..* :11047 29510 -1 0 181.072 -1 0.997217 0 0 376.766 389000.0 Sorbitol [M-H]- MONA temp/spectra_filtered.mgf719 -1 MONA.mgf 12.7246 8 0 0.00230408 181.07 0 CCMSLIB00004702110 706 spectra_filtered.mgf *..* :11047 29510 -1 0 181.072 -1 0.996852 0 0 376.766 6980000.0 Sorbitol [M-H]- MONA temp/spectra_filtered.mgf706 -1 MONA.mgf 3.37077 8 0 0.000610352 181.071 0 CCMSLIB00004702110 824 spectra_filtered.mgf *..* :97 4901 -1 0 179.056 -1 0.99605 0 0 20592600.0 911000.0 Spectral Match to D-(+)-Mannose from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf824 -1 GNPS-NIST14-MATCHES.mgf 11.7601 7 0 0.00210571 179.054 0 CCMSLIB00003139388 1069 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.995621 0 0 149.9 5581000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1069 -1 MONA.mgf 6.31057 8 0 0.00120544 191.019 0 CCMSLIB00006679276 1256 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.995296 0 0 149.9 3866000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1256 -1 MONA.mgf 40.819 8 0 0.00779724 191.028 0 CCMSLIB00006679276 918 spectra_filtered.mgf *..* :423 869 -1 0 133.014 -1 0.995115 0 0 4210120.0 7195000.0 D-malic acid CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf918 -1 BERKELEY-LAB.mgf 6.76822 6 0 0.000900269 133.013 0 CCMSLIB00010102857 752 spectra_filtered.mgf *..* :97 4901 -1 0 179.056 -1 0.995013 0 0 20592600.0 1256700.0 Spectral Match to D-(+)-Mannose from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf752 -1 GNPS-NIST14-MATCHES.mgf 5.62439 7 0 0.00100708 179.055 0 CCMSLIB00003139388 1232 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.99482 0 0 149.9 5014000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1232 -1 MONA.mgf 36.106 8 0 0.00689697 191.027 0 CCMSLIB00006679276 1046 spectra_filtered.mgf *..* :423 869 -1 0 133.014 -1 0.994797 0 0 4210120.0 881800.0 D-malic acid CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf1046 -1 BERKELEY-LAB.mgf 10.5538 6 0 0.00140381 133.013 0 CCMSLIB00010102857 1241 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.994115 0 0 149.9 4157400.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1241 -1 MONA.mgf 3.67451 8 0 0.000701904 191.019 0 CCMSLIB00006679276 384 spectra_filtered.mgf *..* :1732 50973 -1 0 245.093 -1 0.9934 0 0 243.5 1472200.0 N-ACETYLTRYPTOPHAN M-H MONA temp/spectra_filtered.mgf384 -1 MONA.mgf 3.67317 12 0 0.000900269 245.092 0 CCMSLIB00006680002 1235 spectra_filtered.mgf *..* :423 869 -1 0 133.014 -1 0.993348 0 0 4210120.0 502500.0 D-malic acid CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf1235 -1 BERKELEY-LAB.mgf 27.7612 6 0 0.00369263 133.018 0 CCMSLIB00010102857 921 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.993338 0 0 149.9 12678000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf921 -1 MONA.mgf 2.63606 8 0 0.00050354 191.02 0 CCMSLIB00006679276 1268 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.992783 0 0 149.9 2322800.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1268 -1 MONA.mgf 38.7421 8 0 0.00740051 191.027 0 CCMSLIB00006679276 1252 spectra_filtered.mgf *..* :3317 54441 -1 0 191.02 -1 0.99216 0 0 173.2 4025000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1252 -1 MONA.mgf 36.106 8 0 0.00689697 191.027 0 CCMSLIB00006683470 609 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.991954 0 0 149.9 2210000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf609 -1 MONA.mgf 4.23367 8 0 0.000808716 191.019 0 CCMSLIB00006679276 378 spectra_filtered.mgf *..* :25 715 -1 0 245.093 -1 0.991939 0 0 5136200.0 388200.0 N-ACETYLTRYPTOPHAN M-H GNPS-MSMLS temp/spectra_filtered.mgf378 -1 GNPS-MSMLS.mgf 7.34634 12 0 0.00180054 245.091 0 CCMSLIB00005464466 224 spectra_filtered.mgf *..* :22382 22828 -1 0 161.046 -1 0.991193 0 0 16446900.0 2702500.0 MEGLUTOL CollisionEnergy:205060 M-H BERKELEY-LAB temp/spectra_filtered.mgf224 -1 BERKELEY-LAB.mgf 10.6118 6 0 0.00170898 161.044 0 CCMSLIB00010124818 1222 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.990767 0 0 149.9 5478000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1222 -1 MONA.mgf 2.07689 8 0 0.000396729 191.02 0 CCMSLIB00006679276 1019 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.990684 0 0 149.9 1351900.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1019 -1 MONA.mgf 5.27212 8 0 0.00100708 191.019 0 CCMSLIB00006679276 750 spectra_filtered.mgf *..* :97 4901 -1 0 179.056 -1 0.990428 0 0 20592600.0 677400.0 Spectral Match to D-(+)-Mannose from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf750 -1 GNPS-NIST14-MATCHES.mgf 12.8679 7 0 0.00230408 179.054 0 CCMSLIB00003139388 1000 spectra_filtered.mgf *..* :423 869 -1 0 133.014 -1 0.990377 0 0 4210120.0 2560600.0 D-malic acid CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf1000 -1 BERKELEY-LAB.mgf 7.57123 6 0 0.00100708 133.013 0 CCMSLIB00010102857 1255 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.990151 0 0 149.9 4081000.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1255 -1 MONA.mgf 34.0291 8 0 0.00650024 191.027 0 CCMSLIB00006679276 961 spectra_filtered.mgf *..* :20 58 -1 0 341.109 -1 0.989273 0 0 12501900.0 16752000.0 SUCROSE M-H GNPS-MSMLS temp/spectra_filtered.mgf961 -1 GNPS-MSMLS.mgf 2.8629 9 0 0.000976562 341.11 0 CCMSLIB00005463597 1027 spectra_filtered.mgf *..* :5403 5403 -1 0 133.014 -1 0.988837 0 0 29646700.0 2040000.0 L-(?)-Malic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1027 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 8.37424 6 0 0.00111389 133.013 0 CCMSLIB00006125014 610 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.988184 0 0 149.9 1636600.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf610 -1 MONA.mgf 9.42591 8 0 0.00180054 191.018 0 CCMSLIB00006679276 1248 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.988058 0 0 149.9 2728600.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1248 -1 MONA.mgf 39.7805 7 0 0.00759888 191.028 0 CCMSLIB00006679276 1171 spectra_filtered.mgf *..* :5403 5403 -1 0 133.014 -1 0.986677 0 0 29646700.0 480100.0 L-(?)-Malic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1171 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 12.0451 6 0 0.00160217 133.012 0 CCMSLIB00006125014 1021 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.985902 0 0 149.9 1041400.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1021 -1 MONA.mgf 10.4644 8 0 0.0019989 191.018 0 CCMSLIB00006679276 1242 spectra_filtered.mgf *..* :1415 50656 -1 0 209.03 -1 0.985384 0 0 160.8 154600.0 GALACTARIC ACID M-H MONA temp/spectra_filtered.mgf1242 -1 MONA.mgf 3.35791 9 0 0.000701904 209.029 0 CCMSLIB00006679685 441 spectra_filtered.mgf *..* :25450 43913 -1 0 173.046 -1 0.985261 0 0 316.095 402500.0 Shikimic Acid [M-H]- MONA temp/spectra_filtered.mgf441 -1 MONA.mgf 19.1345 7 0 0.00331116 173.043 0 CCMSLIB00004716513 994 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.983629 0 0 57343900.0 1293400.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf994 -1 GNPS-EMBL-MCF.mgf 83.7882 7 0 0.0160065 191.019 0 CCMSLIB00000479610 40 spectra_filtered.mgf *..* :26614 26614 -1 0 187.098 -1 0.982481 0 0 112.527 296700.0 azelaic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf40 -1 MSNLIB-NEGATIVE.mgf 16.0663 7 0 0.00300598 187.095 0 CCMSLIB00012334073 998 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.98242 0 0 149.9 756500.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf998 -1 MONA.mgf 10.4644 7 0 0.0019989 191.018 0 CCMSLIB00006679276 959 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.981836 0 0 149.9 990500.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf959 -1 MONA.mgf 10.4644 7 0 0.0019989 191.018 0 CCMSLIB00006679276 439 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.976062 0 0 232.668 544100.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf439 -1 MSNLIB-NEGATIVE.mgf 13.1004 8 0 0.00250244 191.018 0 CCMSLIB00012293459 376 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.975532 0 0 232.668 568600.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf376 -1 MSNLIB-NEGATIVE.mgf 12.062 8 0 0.00230408 191.018 0 CCMSLIB00012293459 374 spectra_filtered.mgf *..* :37 483 -1 0 243.062 -1 0.974275 0 0 14657800.0 599000.0 uridine CollisionEnergy:102040 M-H BERKELEY-LAB temp/spectra_filtered.mgf374 -1 BERKELEY-LAB.mgf 3.70386 7 0 0.000900269 243.061 0 CCMSLIB00010102471 805 spectra_filtered.mgf *..* :5120 313 -1 0 191.019 -1 0.974002 0 0 58777200.0 541800.0 CITRATE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf805 -1 GNPS-EMBL-MCF.mgf 6.23072 7 0 0.00119019 191.018 0 CCMSLIB00000578096 1047 spectra_filtered.mgf *..* :5120 313 -1 0 191.019 -1 0.97377 0 0 58777200.0 442800.0 CITRATE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1047 -1 GNPS-EMBL-MCF.mgf 5.19227 7 0 0.000991821 191.018 0 CCMSLIB00000578096 784 spectra_filtered.mgf *..* :1314 50555 -1 0 191.02 -1 0.973584 0 0 149.4 479700.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf784 -1 MONA.mgf 16.2158 6 0 0.00309753 191.017 0 CCMSLIB00006679584 460 spectra_filtered.mgf *..* :1006 50247 -1 0 191.02 -1 0.973153 0 0 149.9 927900.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf460 -1 MONA.mgf 11.0235 7 0 0.00210571 191.018 0 CCMSLIB00006679276 1287 spectra_filtered.mgf *..* :1314 50555 -1 0 191.02 -1 0.972524 0 0 149.4 881400.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf1287 -1 MONA.mgf 8.94662 7 0 0.00170898 191.018 0 CCMSLIB00006679584 278 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.972118 0 0 232.668 379400.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf278 -1 MSNLIB-NEGATIVE.mgf 10.4644 9 0 0.0019989 191.018 0 CCMSLIB00012293459 39 spectra_filtered.mgf *..* :11744 30207 -1 0 187.098 -1 0.971347 0 0 138.854 929900.0 AZELAIC ACID [M-H]- MONA temp/spectra_filtered.mgf39 -1 MONA.mgf 79.6793 6 0 0.0149078 187.083 0 CCMSLIB00004702807 647 spectra_filtered.mgf *..* :591 49832 -1 0 179.056 -1 0.970886 0 0 265.1 309900.0 PSICOSE M-H MONA temp/spectra_filtered.mgf647 -1 MONA.mgf 13.3792 6 0 0.00239563 179.054 0 CCMSLIB00006678861 466 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.970365 0 0 232.668 580000.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf466 -1 MSNLIB-NEGATIVE.mgf 7.34901 9 0 0.00140381 191.019 0 CCMSLIB00012293459 1319 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.969634 0 0 57343900.0 597800.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1319 -1 GNPS-EMBL-MCF.mgf 88.5007 7 0 0.0169067 191.018 0 CCMSLIB00000479610 320 spectra_filtered.mgf *..* :76322 76322 -1 0 431.12 -1 0.969501 0 0 242.318 1369200.0 Licoagroside B [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf320 -1 MSNLIB-NEGATIVE.mgf 4.38878 8 0 0.00189209 431.118 0 CCMSLIB00012433024 1081 spectra_filtered.mgf *..* :3321 54445 -1 0 175.047 -1 0.969196 0 0 174.5 1985300.0 ALLANTOIC ACID M-H MONA temp/spectra_filtered.mgf1081 -1 MONA.mgf 9.67583 6 0 0.00169373 175.045 0 CCMSLIB00006683474 407 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.969001 0 0 232.668 378900.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf407 -1 MSNLIB-NEGATIVE.mgf 13.1004 8 0 0.00250244 191.018 0 CCMSLIB00012293459 640 spectra_filtered.mgf *..* :648 648 -1 0 157.037 -1 0.968643 0 0 51301800.0 965200.0 Allantoin - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf640 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 13.409 6 0 0.00210571 157.035 0 CCMSLIB00006113933 1323 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.968579 0 0 57343900.0 694900.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1323 -1 GNPS-EMBL-MCF.mgf 86.9033 7 0 0.0166016 191.018 0 CCMSLIB00000479610 549 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.967036 0 0 57343900.0 732400.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf549 -1 GNPS-EMBL-MCF.mgf 90.0183 7 0 0.0171967 191.018 0 CCMSLIB00000479610 1288 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.966454 0 0 57343900.0 1048300.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1288 -1 GNPS-EMBL-MCF.mgf 81.7114 7 0 0.0156097 191.019 0 CCMSLIB00000479610 1321 spectra_filtered.mgf *..* :5120 313 -1 0 191.019 -1 0.965689 0 0 58777200.0 530200.0 CITRATE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1321 -1 GNPS-EMBL-MCF.mgf 5.19227 7 0 0.000991821 191.018 0 CCMSLIB00000578096 247 spectra_filtered.mgf *..* :4063 3588 -1 0 206.082 -1 0.965143 0 0 179.923 251500.0 N-Acetyl-DL-phenylalanine [M-H]- CMMC-REFRAME-NEGATIVE-LIBRARY temp/spectra_filtered.mgf247 -1 CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 5.84934 6 0 0.00120544 206.081 0 CCMSLIB00012258303 509 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.963164 0 0 232.668 599300.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf509 -1 MSNLIB-NEGATIVE.mgf 13.1004 9 0 0.00250244 191.018 0 CCMSLIB00012293459 739 spectra_filtered.mgf *..* :3265 21728 -1 0 181.072 -1 0.963156 0 0 428.378 634800.0 Mannitol [M-H]- MONA temp/spectra_filtered.mgf739 -1 MONA.mgf 13.8201 8 0 0.00250244 181.07 0 CCMSLIB00004694328 659 spectra_filtered.mgf *..* :1314 50555 -1 0 191.02 -1 0.961749 0 0 149.4 672300.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf659 -1 MONA.mgf 11.0235 6 0 0.00210571 191.018 0 CCMSLIB00006679584 1326 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.960968 0 0 232.668 389300.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf1326 -1 MSNLIB-NEGATIVE.mgf 11.5028 8 0 0.00219727 191.018 0 CCMSLIB00012293459 1279 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.96091 0 0 57343900.0 794800.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1279 -1 GNPS-EMBL-MCF.mgf 82.7498 7 0 0.0158081 191.019 0 CCMSLIB00000479610 663 spectra_filtered.mgf *..* :1314 50555 -1 0 191.02 -1 0.958296 0 0 149.4 937700.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf663 -1 MONA.mgf 5.27212 6 0 0.00100708 191.019 0 CCMSLIB00006679584 767 spectra_filtered.mgf *..* :1 22 -1 0 191.035 -1 0.958171 0 0 57343900.0 456000.0 Citric acid M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf767 -1 GNPS-EMBL-MCF.mgf 90.0183 7 0 0.0171967 191.018 0 CCMSLIB00000479610 1153 spectra_filtered.mgf *..* :36127 36127 -1 0 195.051 -1 0.955762 0 0 253.114 234300.0 gluconic acid [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf1153 -1 MSNLIB-NEGATIVE.mgf 8.21412 9 0 0.00160217 195.049 0 CCMSLIB00012352986 20 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.954968 0 0 232.668 312400.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf20 -1 MSNLIB-NEGATIVE.mgf 8.94662 8 0 0.00170898 191.018 0 CCMSLIB00012293459 1072 spectra_filtered.mgf *..* :7070 7070 -1 0 175.047 -1 0.950912 0 0 6611190.0 2418300.0 Allantoic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1072 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 2.8766 6 0 0.00050354 175.046 0 CCMSLIB00006126681 748 spectra_filtered.mgf *..* :26937 26937 -1 0 225.062 -1 0.949151 0 0 299.22 152200.0 alpha-D-glucose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf748 -1 MSNLIB-NEGATIVE.mgf 11.1189 6 0 0.00250244 225.059 0 CCMSLIB00012334707 1097 spectra_filtered.mgf *..* :123 123 -1 0 195.051 -1 0.948326 0 0 26371200.0 321600.0 1726059 - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1097 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 6.64953 9 0 0.001297 195.05 0 CCMSLIB00006112686 587 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.947604 0 0 232.668 672900.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf587 -1 MSNLIB-NEGATIVE.mgf 13.1004 8 0 0.00250244 191.018 0 CCMSLIB00012293459 755 spectra_filtered.mgf *..* :22737 22737 -1 0 225.062 -1 0.944939 0 0 270.484 241800.0 L-Glucose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf755 -1 MSNLIB-NEGATIVE.mgf 5.76284 6 0 0.001297 225.061 0 CCMSLIB00012326381 819 spectra_filtered.mgf *..* :26937 26937 -1 0 225.062 -1 0.943515 0 0 299.22 255800.0 alpha-D-glucose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf819 -1 MSNLIB-NEGATIVE.mgf 4.40688 6 0 0.000991821 225.061 0 CCMSLIB00012334707 707 spectra_filtered.mgf *..* :1 440 -1 0 227.077 -1 0.943503 0 0 37716200.0 476500.0 D-Mannitol [M-H+HCOOH] LDB_NEGATIVE temp/spectra_filtered.mgf707 -1 LDB_NEGATIVE.mgf 2.62067 7 0 0.000595093 227.076 0 CCMSLIB00005719626 1009 spectra_filtered.mgf *..* :920 579 -1 0 179.056 -1 0.940894 0 0 3344920.0 365000.0 D-FRUCTOSE M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf1009 -1 GNPS-EMBL-MCF.mgf 10.6522 10 0 0.00190735 179.054 0 CCMSLIB00000578370 960 spectra_filtered.mgf *..* :29815 29815 -1 0 387.114 -1 0.938868 0 0 206.08 31030000.0 sucrose [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf960 -1 MSNLIB-NEGATIVE.mgf 6.14902 10 0 0.00238037 387.116 0 CCMSLIB00012340446 576 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.937169 0 0 232.668 424700.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf576 -1 MSNLIB-NEGATIVE.mgf 14.1389 8 0 0.00270081 191.017 0 CCMSLIB00012293459 482 spectra_filtered.mgf *..* :1314 50555 -1 0 191.02 -1 0.932687 0 0 149.4 755600.0 CITRIC ACID M-H MONA temp/spectra_filtered.mgf482 -1 MONA.mgf 10.4644 6 0 0.0019989 191.018 0 CCMSLIB00006679584 525 spectra_filtered.mgf *..* :62705 62705 -1 0 435.13 -1 0.930711 0 0 319.808 742900.0 Coatlin A [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf525 -1 MSNLIB-NEGATIVE.mgf 5.33021 18 0 0.00231934 435.128 0 CCMSLIB00012405947 716 spectra_filtered.mgf *..* :1 440 -1 0 227.077 -1 0.928773 0 0 37716200.0 2081000.0 D-Mannitol [M-H+HCOOH] LDB_NEGATIVE temp/spectra_filtered.mgf716 -1 LDB_NEGATIVE.mgf 73.9834 7 0 0.0167999 227.06 0 CCMSLIB00005719626 1002 spectra_filtered.mgf *..* :117 5715 -1 0 145.062 -1 0.919662 0 0 459878.0 147500.0 Spectral Match to L-Glutamine from NIST14 M-H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1002 -1 GNPS-NIST14-MATCHES.mgf 13.0433 6 0 0.00189209 145.06 0 CCMSLIB00003140202 1117 spectra_filtered.mgf *..* :123 123 -1 0 195.051 -1 0.90548 0 0 26371200.0 185100.0 1726059 - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1117 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 8.6835 8 0 0.00169373 195.049 0 CCMSLIB00006112686 492 spectra_filtered.mgf *..* :6942 6942 -1 0 173.009 -1 0.904999 0 0 2567830.0 651100.0 DEHYDROASCORBIC ACID - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf492 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 11.5537 7 0 0.0019989 173.007 0 CCMSLIB00006126553 498 spectra_filtered.mgf *..* :3679 3679 -1 0 191.02 -1 0.903795 0 0 232.668 418600.0 citric acid (Chimeric precursor selection) [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf498 -1 MSNLIB-NEGATIVE.mgf 14.1389 8 0 0.00270081 191.017 0 CCMSLIB00012293459 338 spectra_filtered.mgf *..* :5729 5729 -1 0 188.056 -1 0.903221 0 0 20043300.0 575900.0 N-Acetyl-DL-glutamic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf338 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 7.95168 7 0 0.00149536 188.055 0 CCMSLIB00006125340 375 spectra_filtered.mgf *..* :4265 4265 -1 0 289.068 -1 0.885053 0 0 237.791 348200.0 3083-77-0 [M+FA]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf375 -1 MSNLIB-NEGATIVE.mgf 4.85633 6 0 0.00140381 289.067 0 CCMSLIB00012294255 454 spectra_filtered.mgf *..* :100 275 -1 0 433.115 -1 0.873922 0 0 1489.0 571400.0 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV M-H SUMNER temp/spectra_filtered.mgf454 -1 SUMNER.mgf 7.82114 10 0 0.00338745 433.112 0 CCMSLIB00004683510 1041 spectra_filtered.mgf *..* :351 351 -1 0 387.115 -1 0.872258 0 0 7212090.0 194000.0 beta-Lactose - 40.0 eV Unknown BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf1041 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 4.33583 10 0 0.00167847 387.113 0 CCMSLIB00006113163 668 spectra_filtered.mgf *..* :26692 47012 -1 0 193.072 -1 0.834755 0 0 179.19 367300.0 Quebrachitol [M-H]- MONA temp/spectra_filtered.mgf668 -1 MONA.mgf 3.63545 8 0 0.000701904 193.071 0 CCMSLIB00004719612 1100 spectra_filtered.mgf *..* :36790 36790 -1 0 337.078 -1 0.833767 0 0 404.796 243800.0 129499-78-1 [M-H]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf1100 -1 MSNLIB-NEGATIVE.mgf 0.271607 9 0 9.15527e-05 337.078 0 CCMSLIB00012354280 337 spectra_filtered.mgf *..* :5729 5729 -1 0 188.056 -1 0.832053 0 0 20043300.0 462000.0 N-Acetyl-DL-glutamic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf337 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 12.7389 6 0 0.00239563 188.054 0 CCMSLIB00006125340 930 spectra_filtered.mgf *..* :14540 26539 -1 0 355.066 -1 0.80194 0 0 1221.0 1201700.0 Massbank:PR309201 Coumaroyl + C6H9O8 (isomer of 843, 844, 846) M-H MASSBANK temp/spectra_filtered.mgf930 -1 MASSBANK.mgf 0.515694 7 0 0.000183105 355.066 0 CCMSLIB00005740091 908 spectra_filtered.mgf *..* :3540 486 -1 0 209.03 -1 0.76409 0 0 1116330.0 439200.0 D-SACCHARIC ACID M-H GNPS-EMBL-MCF temp/spectra_filtered.mgf908 -1 GNPS-EMBL-MCF.mgf 459.231 7 0 0.095993 208.934 0 CCMSLIB00000578273 670 spectra_filtered.mgf *..* :26692 47012 -1 0 193.072 -1 0.761909 0 0 179.19 413000.0 Quebrachitol [M-H]- MONA temp/spectra_filtered.mgf670 -1 MONA.mgf 11.4596 7 0 0.00221252 193.07 0 CCMSLIB00004719612 904 spectra_filtered.mgf *..* :220 220 -1 0 209.03 -1 0.755551 0 0 43634800.0 409000.0 Saccharic acid - 40.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf904 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 172.202 8 0 0.0359955 209.066 0 CCMSLIB00006112861 953 spectra_filtered.mgf *..* :29810 29810 -1 0 377.086 -1 0.743773 0 0 310.951 604600.0 sucrose [M+Cl]- MSNLIB-NEGATIVE temp/spectra_filtered.mgf953 -1 MSNLIB-NEGATIVE.mgf 1.86139 7 0 0.000701904 377.087 0 CCMSLIB00012340437 645 spectra_filtered.mgf *..* :75206 75206 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CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3 1 77 13.032 0.000 0.9234 0.7986 1 1 686 -23.921 0.000 0.7927 0.6153 1 1 911 13.113 0.000 0.7617 0.5867 1 5 936 1.996 0.000 0.9090 0.7700 1 6 12 14.015 0.000 0.7186 0.7434 1 6 31 -1.968 0.000 0.7779 0.5817 1 6 77 13.032 0.000 0.9244 0.8050 1 6 120 13.032 0.000 0.9249 0.7493 1 6 138 17.017 0.000 0.8326 0.7322 1 6 221 21.033 0.000 0.9158 0.7340 1 6 669 21.045 0.000 0.8981 0.6298 1 6 765 21.045 0.000 0.9169 0.7660 1 6 800 -10.887 0.000 0.8378 0.5956 1 6 860 21.044 0.000 0.9023 0.6610 1 6 864 21.040 0.000 0.9023 0.6610 1 6 911 13.113 0.000 0.8108 0.8001 1 6 913 9.072 0.000 0.8349 0.6298 1 6 1243 9.072 0.000 0.7980 0.6298 1 6 1277 9.081 0.000 0.8754 0.6610 1 8 347 0.004 0.000 0.9915 0.8688 1 8 556 0.004 0.000 0.9891 0.8316 1 8 1264 -0.002 0.000 0.9921 0.8931 1 10 405 0.000 0.000 0.9298 0.7831 1 12 77 -0.984 0.000 0.8273 0.7704 1 12 120 -0.984 0.000 0.8254 0.7147 1 12 911 -0.902 0.000 0.7175 0.7434 1 16 464 0.147 0.000 0.8801 0.7675 1 16 468 0.001 0.000 0.9297 0.7615 1 16 601 0.001 0.000 0.9564 0.8195 1 16 808 0.000 0.000 0.8448 0.7177 1 16 887 0.000 0.000 0.9386 0.8166 1 16 914 -2.015 0.000 0.7174 0.6024 1 16 918 -0.001 0.000 0.8237 0.7715 1 16 954 0.000 0.000 0.8283 0.7692 1 16 1000 -0.001 0.000 0.8275 0.8548 1 16 1016 0.000 0.000 0.8683 0.7826 1 16 1027 -0.000 0.000 0.7945 0.7056 1 16 1046 -0.000 0.000 0.8459 0.7715 1 16 1068 0.000 0.000 0.9371 0.8735 1 16 1074 -0.000 0.000 0.8242 0.8166 1 16 1094 -0.000 0.000 0.8968 0.7715 1 16 1120 0.000 0.000 0.9264 0.7111 1 16 1138 0.147 0.000 0.8822 0.7384 1 16 1152 0.000 0.000 0.9281 0.7390 1 16 1159 0.000 0.000 0.9324 0.8058 1 16 1171 0.000 0.000 0.9015 0.8166 1 16 1177 -0.000 0.000 0.9067 0.7483 1 16 1211 0.000 0.000 0.9052 0.7495 1 16 1224 -0.000 0.000 0.9176 0.8284 1 16 1231 -0.000 0.000 0.8981 0.7857 1 16 1235 -0.005 0.000 0.9057 0.8166 1 16 1249 -0.000 0.000 0.9125 0.8166 1 16 1253 -0.001 0.000 0.8925 0.8166 1 16 1261 -0.000 0.000 0.8923 0.7624 1 16 1282 0.000 0.000 0.9270 0.7671 1 20 278 0.000 0.000 0.9314 0.6916 1 20 376 0.001 0.000 0.9577 0.7954 1 20 407 0.001 0.000 0.9436 0.7690 1 20 439 0.001 0.000 0.9601 0.8206 1 20 459 -14.016 0.000 0.7392 0.5443 1 20 460 0.000 0.000 0.9466 0.7307 1 20 466 -0.000 0.000 0.9547 0.7713 1 20 482 0.000 0.000 0.9058 0.6559 1 20 498 0.001 0.000 0.8767 0.6289 1 20 509 0.001 0.000 0.9512 0.7829 1 20 549 0.000 0.000 0.9571 0.7732 1 20 576 0.001 0.000 0.8854 0.5845 1 20 587 0.001 0.000 0.9283 0.6839 1 20 609 -0.001 0.000 0.9296 0.7229 1 20 610 0.000 0.000 0.9321 0.7457 1 20 612 -14.016 0.000 0.7151 0.5044 1 20 659 0.000 0.000 0.9106 0.6155 1 20 663 -0.001 0.000 0.9329 0.7055 1 20 767 0.000 0.000 0.9265 0.7027 1 20 784 0.001 0.000 0.9425 0.7898 1 20 805 0.000 0.000 0.9405 0.7336 1 20 917 -1.003 0.000 0.8214 0.6491 1 20 921 -0.001 0.000 0.9346 0.7493 1 20 927 -14.016 0.000 0.7522 0.6057 1 20 959 0.000 0.000 0.9338 0.7053 1 20 994 -0.001 0.000 0.9435 0.7708 1 20 998 0.000 0.000 0.9431 0.7531 1 20 1019 -0.001 0.000 0.9457 0.8223 1 20 1021 0.000 0.000 0.9344 0.7697 1 20 1047 0.000 0.000 0.9294 0.6902 1 20 1069 -0.001 0.000 0.9363 0.7595 1 20 1070 -1.003 0.000 0.8147 0.5808 1 20 1071 -14.016 0.000 0.7594 0.6511 1 20 1221 -14.016 0.000 0.7675 0.7047 1 20 1222 -0.001 0.000 0.9333 0.7659 1 20 1225 -1.003 0.000 0.8144 0.6773 1 20 1232 -0.009 0.000 0.9393 0.7965 1 20 1237 -1.003 0.000 0.8027 0.6016 1 20 1238 -14.016 0.000 0.7674 0.6566 1 20 1241 -0.001 0.000 0.9389 0.7965 1 20 1247 -14.016 0.000 0.7188 0.5597 1 20 1248 -0.009 0.000 0.9399 0.7559 1 20 1252 -0.009 0.000 0.9423 0.7965 1 20 1255 -0.008 0.000 0.9428 0.7965 1 20 1256 -0.010 0.000 0.9422 0.7965 1 20 1268 -0.009 0.000 0.9409 0.7042 1 20 1279 -0.001 0.000 0.9582 0.8055 1 20 1287 0.000 0.000 0.9630 0.8234 1 20 1288 -0.001 0.000 0.9554 0.7972 1 20 1319 0.000 0.000 0.9489 0.7475 1 20 1321 0.000 0.000 0.9472 0.7616 1 20 1323 -0.000 0.000 0.9597 0.7960 1 20 1326 0.000 0.000 0.9430 0.7669 1 21 22 28.031 0.000 0.9270 0.6277 1 22 26 0.132 0.000 0.9042 0.6427 1 24 25 15.996 0.000 0.9378 0.7062 1 24 280 46.008 0.000 0.8754 0.5886 1 25 56 30.049 0.000 0.7154 0.4264 1 29 280 -0.000 0.000 0.9510 0.7020 1 30 649 -0.029 0.000 0.9951 0.9104 1 30 669 0.003 0.000 0.9868 0.7965 1 31 56 -159.021 0.000 0.8010 0.6795 1 31 77 15.000 0.000 0.8777 0.8395 1 31 86 -1.990 0.000 0.7322 0.7674 1 31 120 14.999 0.000 0.8573 0.6556 1 31 343 -0.011 0.000 0.7813 0.7497 1 31 766 -86.884 0.000 0.7767 0.4872 1 31 800 -8.919 0.000 0.7657 0.5833 1 31 897 -45.860 0.000 0.7734 0.6234 1 31 909 11.049 0.000 0.9133 0.7274 1 31 911 15.081 0.000 0.8260 0.7538 1 31 913 11.040 0.000 0.9117 0.7274 1 31 985 -4.977 0.000 0.7844 0.5908 1 31 1023 -5.026 0.000 0.7595 0.6284 1 31 1059 -4.977 0.000 0.7966 0.6842 1 31 1210 11.046 0.000 0.8868 0.7274 1 31 1234 11.039 0.000 0.8853 0.7274 1 31 1243 11.039 0.000 0.8997 0.7274 1 31 1277 11.049 0.000 0.9172 0.8044 1 31 1286 11.049 0.000 0.9043 0.7274 1 31 1313 11.049 0.000 0.9009 0.7274 1 33 58 0.000 0.000 0.8806 0.6339 1 34 51 56.059 0.000 0.7858 0.5606 1 34 64 70.074 0.000 0.7795 0.5536 1 34 809 125.240 0.000 0.7442 0.3834 1 39 40 -0.012 0.000 0.8766 0.4378 1 39 47 14.015 0.000 0.8751 0.6611 1 39 51 0.984 0.000 0.9600 0.8592 1 39 389 0.059 0.000 0.7411 0.3287 1 39 553 0.060 0.000 0.7258 0.3301 1 39 554 0.059 0.000 0.7207 0.3372 1 39 927 -17.951 0.000 0.7072 0.4622 1 39 1071 -17.951 0.000 0.7097 0.4590 1 39 1221 -17.952 0.000 0.7192 0.4564 1 39 1238 -17.951 0.000 0.7205 0.4218 1 40 47 14.027 0.000 0.8102 0.4429 1 40 51 0.996 0.000 0.9054 0.5078 1 40 1221 -17.940 0.000 0.7068 0.5593 1 40 1238 -17.939 0.000 0.7114 0.5937 1 41 75 -0.001 0.000 0.9277 0.8243 1 41 145 -0.001 0.000 0.9062 0.7765 1 41 174 -0.000 0.000 0.9044 0.7198 1 41 246 -0.002 0.000 0.9351 0.8051 1 41 283 -0.001 0.000 0.9323 0.8003 1 41 319 -0.001 0.000 0.9214 0.7971 1 41 361 -0.002 0.000 0.9259 0.7951 1 41 393 -0.001 0.000 0.9209 0.7732 1 41 428 -0.001 0.000 0.9464 0.8556 1 41 475 -0.000 0.000 0.9192 0.8065 1 41 529 -0.000 0.000 0.9212 0.7845 1 41 639 0.000 0.000 0.8692 0.6759 1 42 911 -7.915 0.000 0.7089 0.6131 1 42 1217 -107.986 0.000 0.9729 0.7421 1 47 64 0.984 0.000 0.9160 0.7960 1 47 610 -17.950 0.000 0.7047 0.5263 1 48 109 -0.002 0.000 0.9329 0.6752 1 48 161 -15.007 0.000 0.7778 0.5734 1 48 222 -0.000 0.000 0.9640 0.7482 1 48 245 -0.000 0.000 0.9575 0.7497 1 48 251 -0.002 0.000 0.9389 0.7259 1 48 273 -0.002 0.000 0.9604 0.7497 1 48 328 0.000 0.000 0.9504 0.7482 1 48 521 0.008 0.000 0.9264 0.7482 1 48 550 0.008 0.000 0.9247 0.7482 1 48 599 0.011 0.000 0.9261 0.6769 1 48 823 13.991 0.000 0.8092 0.6525 1 48 958 -0.003 0.000 0.9378 0.7789 1 48 1078 -11.988 0.000 0.7292 0.5056 1 48 1090 0.000 0.000 0.9292 0.6463 1 51 64 14.015 0.000 0.9451 0.7930 1 51 389 -0.925 0.000 0.7432 0.3845 1 51 553 -0.924 0.000 0.7075 0.3665 1 51 554 -0.925 0.000 0.7162 0.4306 1 51 927 -18.935 0.000 0.7116 0.4625 1 51 1071 -18.935 0.000 0.7128 0.4499 1 51 1221 -18.936 0.000 0.7221 0.4224 1 51 1238 -18.935 0.000 0.7202 0.4224 1 53 115 -0.012 0.000 0.9890 0.8433 1 53 263 -0.015 0.000 0.9936 0.8992 1 53 340 -1.012 0.000 0.8677 0.6945 1 53 823 -4.028 0.000 0.7123 0.5728 1 53 1332 -0.004 0.000 0.9891 0.8450 1 54 534 -0.015 0.000 0.9817 0.7969 1 54 676 -0.000 0.000 0.9866 0.8365 1 54 1275 -0.003 0.000 0.9867 0.8365 1 56 77 174.021 0.000 0.8057 0.6996 1 57 307 -25.971 0.000 0.7027 0.5833 1 57 1286 13.039 0.000 0.7103 0.6005 1 58 398 -1.032 0.000 0.7148 0.4238 1 58 461 -1.031 0.000 0.7463 0.4626 1 59 1001 -15.995 0.000 0.8011 0.6612 1 60 282 -14.005 0.000 0.9239 0.6709 1 60 382 0.000 0.000 0.9409 0.6556 1 60 1078 -11.989 0.000 0.7406 0.4625 1 60 1090 0.000 0.000 0.9367 0.6447 1 64 994 -18.935 0.000 0.7001 0.5461 1 67 978 -0.997 0.000 0.8734 0.8091 1 67 1063 -107.997 0.000 0.9714 0.7351 1 68 77 -8.012 0.000 0.8131 0.6195 1 69 240 0.000 0.000 0.9879 0.8249 1 69 435 0.003 0.000 0.9842 0.8194 1 69 534 -0.014 0.000 0.9833 0.7974 1 69 813 -0.008 0.000 0.9855 0.8261 1 69 1112 -0.002 0.000 0.9880 0.8255 1 69 1149 -0.008 0.000 0.9850 0.8249 1 69 1293 -0.002 0.000 0.9874 0.8249 1 69 1325 -0.002 0.000 0.9826 0.8111 1 70 93 0.000 0.000 0.9901 0.8887 1 71 249 -15.995 0.000 0.7576 0.5896 1 71 314 -15.874 0.000 0.7350 0.4188 1 71 382 42.036 0.000 0.7921 0.5373 1 71 574 -34.007 0.000 0.7516 0.4913 1 71 916 30.047 0.000 0.8108 0.5424 1 75 145 0.000 0.000 0.9021 0.7575 1 75 174 0.001 0.000 0.8926 0.7164 1 75 246 -0.001 0.000 0.9182 0.7881 1 75 283 -0.000 0.000 0.9233 0.8074 1 75 319 0.000 0.000 0.9142 0.8170 1 75 361 -0.001 0.000 0.9113 0.7937 1 75 393 -0.000 0.000 0.9131 0.7793 1 75 428 0.000 0.000 0.9137 0.7775 1 75 475 0.001 0.000 0.9142 0.7756 1 75 529 0.001 0.000 0.9106 0.7939 1 75 628 23.018 0.000 0.7052 0.7071 1 75 639 0.001 0.000 0.8573 0.6473 1 76 106 0.000 0.000 0.9727 0.8007 1 76 121 -0.002 0.000 0.9639 0.8107 1 76 161 -15.007 0.000 0.8037 0.6682 1 76 222 0.000 0.000 0.9688 0.8007 1 76 245 -0.000 0.000 0.9643 0.7708 1 76 282 -14.004 0.000 0.9092 0.6450 1 76 314 -57.909 0.000 0.7352 0.3217 1 76 382 0.001 0.000 0.9340 0.6564 1 76 403 0.001 0.000 0.9675 0.7879 1 76 521 0.008 0.000 0.9316 0.8007 1 76 550 0.008 0.000 0.9302 0.8007 1 76 560 0.000 0.000 0.9644 0.8007 1 76 650 -26.004 0.000 0.9106 0.7900 1 76 754 -10.008 0.000 0.8094 0.6184 1 76 758 0.001 0.000 0.9537 0.7883 1 76 760 -9.970 0.000 0.8043 0.5642 1 76 870 0.001 0.000 0.9494 0.7507 1 76 1010 0.001 0.000 0.9392 0.6848 1 76 1050 0.001 0.000 0.9327 0.7374 1 76 1090 0.001 0.000 0.9344 0.6471 1 76 1131 0.001 0.000 0.9486 0.7749 1 77 115 8.002 0.000 0.8071 0.5833 1 77 120 -0.000 0.000 0.9863 0.8577 1 77 125 8.010 0.000 0.8071 0.5956 1 77 138 3.985 0.000 0.7710 0.8039 1 77 263 7.999 0.000 0.8161 0.5884 1 77 307 -42.961 0.000 0.7118 0.5336 1 77 340 7.002 0.000 0.8097 0.7557 1 77 556 8.014 0.000 0.8155 0.6506 1 77 559 7.002 0.000 0.8332 0.7971 1 77 569 7.996 0.000 0.8090 0.5905 1 77 580 8.010 0.000 0.8186 0.6045 1 77 589 8.010 0.000 0.8087 0.6144 1 77 625 7.008 0.000 0.8069 0.7924 1 77 649 7.981 0.000 0.8135 0.5926 1 77 669 8.013 0.000 0.8097 0.5926 1 77 765 8.014 0.000 0.8419 0.8192 1 77 800 -23.919 0.000 0.7797 0.6779 1 77 813 8.002 0.000 0.8106 0.5973 1 77 838 7.996 0.000 0.8192 0.6595 1 77 853 7.009 0.000 0.8213 0.8473 1 77 860 8.012 0.000 0.8143 0.6267 1 77 864 8.009 0.000 0.8143 0.6267 1 77 869 7.002 0.000 0.8213 0.8473 1 77 902 -43.882 0.000 0.7587 0.5833 1 77 911 0.081 0.000 0.8762 0.8502 1 77 912 -1.916 0.000 0.7966 0.6493 1 77 922 -23.025 0.000 0.7934 0.5953 1 77 928 -71.828 0.000 0.7579 0.5216 1 77 1210 -3.953 0.000 0.7253 0.4875 1 77 1264 8.008 0.000 0.8160 0.6045 1 77 1269 8.008 0.000 0.8125 0.5889 1 77 1275 8.008 0.000 0.8133 0.5956 1 77 1277 -3.951 0.000 0.7109 0.4666 1 77 1286 -3.951 0.000 0.7064 0.4875 1 77 1313 -3.951 0.000 0.7154 0.4850 1 77 1325 8.008 0.000 0.8143 0.6144 1 80 103 -0.002 0.000 1.0000 1.0000 1 84 237 0.000 0.000 0.9454 0.6716 1 84 782 -31.889 0.000 0.8245 0.4301 1 85 1106 0.003 0.000 0.8834 0.6841 1 86 158 -0.000 0.000 0.9029 0.6268 1 86 860 25.002 0.000 0.7209 0.7117 1 86 864 24.999 0.000 0.7209 0.7117 1 88 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1182 0.001 0.000 0.9580 0.7951 1 136 669 -0.000 0.000 0.9889 0.7848 1 138 489 -53.974 0.000 0.7184 0.4487 1 138 534 4.010 0.000 0.8697 0.7640 1 138 757 0.000 0.000 0.8111 0.6141 1 138 823 0.000 0.000 0.7366 0.5694 1 138 922 -27.011 0.000 0.8905 0.6581 1 138 935 4.027 0.000 0.8722 0.7918 1 138 1059 -23.962 0.000 0.7508 0.6240 1 138 1138 -43.843 0.000 0.7786 0.5436 1 142 1091 -108.007 0.000 0.9776 0.7370 1 144 165 -0.002 0.000 1.0000 1.0000 1 145 174 0.000 0.000 0.8798 0.6590 1 145 246 -0.001 0.000 0.9080 0.7300 1 145 283 -0.001 0.000 0.9025 0.7232 1 145 319 -0.000 0.000 0.8963 0.7257 1 145 361 -0.001 0.000 0.8931 0.7098 1 145 393 -0.001 0.000 0.8944 0.7032 1 145 428 -0.000 0.000 0.9137 0.8090 1 145 475 0.000 0.000 0.9137 0.8100 1 145 529 0.001 0.000 0.9029 0.7233 1 145 628 23.017 0.000 0.7152 0.7309 1 145 639 0.001 0.000 0.8700 0.6984 1 147 289 -0.003 0.000 0.9944 0.9301 1 154 703 0.002 0.000 0.9598 0.8165 1 154 823 13.993 0.000 0.8430 0.6313 1 156 326 -0.015 0.000 0.9866 0.7798 1 156 347 0.003 0.000 0.9822 0.7920 1 156 369 0.000 0.000 0.9822 0.7920 1 156 440 -0.011 0.000 0.9810 0.7920 1 156 556 0.004 0.000 0.9811 0.8041 1 156 569 -0.014 0.000 0.9766 0.7768 1 156 638 -0.000 0.000 0.9842 0.7920 1 156 696 -45.958 0.000 0.8153 0.6719 1 156 765 0.003 0.000 0.9830 0.7920 1 156 813 -0.008 0.000 0.9797 0.7768 1 156 837 0.003 0.000 0.9822 0.7920 1 156 838 -0.014 0.000 0.9825 0.7751 1 156 865 -0.009 0.000 0.9834 0.7920 1 156 911 -7.929 0.000 0.7015 0.6131 1 156 913 -11.970 0.000 0.8174 0.6230 1 156 1034 -0.008 0.000 0.9855 0.7774 1 156 1210 -11.963 0.000 0.9076 0.6310 1 156 1217 -108.000 0.000 0.9645 0.7421 1 156 1243 -11.970 0.000 0.7636 0.5540 1 156 1264 -0.002 0.000 0.9814 0.7751 1 156 1312 -108.008 0.000 0.9549 0.6232 1 157 202 -0.000 0.000 0.9891 0.8372 1 157 237 0.000 0.000 0.9788 0.7204 1 157 287 0.000 0.000 0.9803 0.7962 1 157 316 0.000 0.000 0.9752 0.7117 1 157 782 -31.888 0.000 0.8408 0.3758 1 158 210 25.003 0.000 0.7047 0.4573 1 158 369 25.000 0.000 0.7044 0.4723 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0.6556 1 161 521 15.015 0.000 0.7967 0.5734 1 161 550 15.015 0.000 0.7994 0.5734 1 161 599 15.018 0.000 0.7864 0.5734 1 161 758 15.007 0.000 0.7922 0.5734 1 161 854 15.004 0.000 0.7783 0.5734 1 161 870 15.007 0.000 0.7886 0.5734 1 161 916 3.019 0.000 0.8172 0.6478 1 161 958 15.004 0.000 0.7495 0.5734 1 161 1001 3.019 0.000 0.8138 0.6625 1 161 1010 15.007 0.000 0.8091 0.7018 1 161 1025 3.019 0.000 0.7975 0.6363 1 161 1050 15.007 0.000 0.7648 0.5598 1 161 1078 3.019 0.000 0.7528 0.5573 1 161 1090 15.007 0.000 0.8050 0.6900 1 161 1150 15.007 0.000 0.7773 0.5637 1 162 164 -0.007 0.000 0.9919 0.8986 1 162 166 0.008 0.000 0.9919 0.8986 1 164 166 0.015 0.000 1.0000 1.0000 1 171 216 0.000 0.000 0.9575 0.6711 1 171 251 0.000 0.000 0.9599 0.7287 1 171 269 -9.971 0.000 0.8958 0.7238 1 171 345 0.000 0.000 0.9645 0.7832 1 171 450 0.006 0.000 0.9104 0.8964 1 171 453 0.010 0.000 0.9104 0.8964 1 171 550 0.010 0.000 0.9245 0.8399 1 171 595 0.002 0.000 0.9148 0.8745 1 171 599 0.014 0.000 0.9315 0.6762 1 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237 0.000 0.000 0.9735 0.6721 1 202 782 -31.888 0.000 0.8362 0.3447 1 210 526 -0.012 0.000 0.9959 0.9339 1 210 569 -0.018 0.000 0.9873 0.7953 1 210 573 0.000 0.000 0.9905 0.8666 1 210 580 -0.003 0.000 0.9957 0.9339 1 210 589 -0.003 0.000 0.9883 0.8036 1 210 641 -0.018 0.000 0.9895 0.8476 1 210 649 -0.032 0.000 0.9964 0.9339 1 210 669 -0.000 0.000 0.9876 0.7987 1 210 796 -0.001 0.000 0.9889 0.8393 1 210 800 -31.932 0.000 0.9136 0.7047 1 210 838 -0.018 0.000 0.9937 0.9067 1 210 860 -0.001 0.000 0.9887 0.8193 1 210 864 -0.005 0.000 0.9887 0.8193 1 210 912 -9.929 0.000 0.9566 0.7126 1 210 1039 -108.004 0.000 0.9775 0.7776 1 210 1060 -108.004 0.000 0.9751 0.7549 1 210 1133 -0.018 0.000 0.9918 0.8750 1 210 1149 -0.012 0.000 0.9909 0.8497 1 210 1199 -108.004 0.000 0.9732 0.7404 1 210 1217 -108.004 0.000 0.9786 0.7620 1 210 1226 -0.002 0.000 0.9955 0.9339 1 210 1245 -0.002 0.000 0.9967 0.9296 1 210 1264 -0.006 0.000 0.9937 0.9125 1 210 1275 -0.006 0.000 0.9928 0.8848 1 210 1293 -0.006 0.000 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0.7260 0.3164 1 314 1022 46.905 0.000 0.7106 0.4037 1 314 1023 47.889 0.000 0.7979 0.5816 1 314 1050 57.910 0.000 0.7013 0.3179 1 314 1059 47.939 0.000 0.7913 0.5495 1 314 1090 57.910 0.000 0.7687 0.4480 1 314 1093 28.895 0.000 0.7261 0.4432 1 316 351 -0.000 0.000 0.9742 0.7207 1 316 383 0.000 0.000 0.9669 0.7207 1 317 599 0.013 0.000 0.9257 0.6762 1 317 758 0.002 0.000 0.9395 0.7497 1 319 361 -0.001 0.000 0.9254 0.8130 1 319 393 -0.000 0.000 0.9373 0.8311 1 319 428 0.000 0.000 0.9545 0.8419 1 319 475 0.001 0.000 0.9134 0.7624 1 319 529 0.001 0.000 0.9224 0.7980 1 319 639 0.001 0.000 0.8701 0.6488 1 320 389 244.094 0.000 0.7353 0.4327 1 320 553 244.095 0.000 0.7280 0.3637 1 320 554 244.094 0.000 0.7328 0.4017 1 323 429 42.048 0.000 0.8949 0.7246 1 323 1067 126.103 0.000 0.7020 0.5884 1 325 1183 0.010 0.000 0.9897 0.8863 1 328 452 -0.002 0.000 0.9360 0.9025 1 328 521 0.008 0.000 0.9866 0.8796 1 328 550 0.008 0.000 0.9840 0.8489 1 328 599 0.011 0.000 0.9659 0.6769 1 328 854 -0.003 0.000 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0.5821 1 719 1076 -86.001 0.000 0.7058 0.6081 1 728 753 0.986 0.000 0.7315 0.5492 1 728 789 0.000 0.000 0.7457 0.5523 1 728 804 1.076 0.000 0.7168 0.5523 1 728 817 0.986 0.000 0.7128 0.5523 1 732 800 -31.929 0.000 0.9152 0.7297 1 732 860 0.002 0.000 0.9822 0.8176 1 732 864 -0.001 0.000 0.9822 0.8176 1 732 882 -108.008 0.000 0.9661 0.7885 1 732 911 -7.929 0.000 0.7138 0.6195 1 732 1039 -108.000 0.000 0.9693 0.7958 1 732 1063 -108.007 0.000 0.9638 0.7574 1 732 1243 -11.970 0.000 0.7683 0.5666 1 732 1271 -108.000 0.000 0.9606 0.7075 1 732 1275 -0.002 0.000 0.9867 0.8223 1 732 1325 -0.002 0.000 0.9841 0.8223 1 732 1327 -108.000 0.000 0.9703 0.8105 1 732 1330 -0.002 0.000 0.9892 0.8223 1 736 811 -0.001 0.000 0.9813 0.7489 1 736 1103 -0.001 0.000 0.9727 0.6905 1 736 1108 -0.008 0.000 0.9771 0.7359 1 736 1129 -0.001 0.000 0.9794 0.7489 1 736 1162 -0.009 0.000 0.9712 0.6666 1 736 1180 -0.009 0.000 0.9761 0.7328 1 736 1184 -0.001 0.000 0.9757 0.7133 1 736 1274 -0.010 0.000 0.9767 0.7356 1 736 1312 -0.009 0.000 0.9712 0.6340 1 737 766 -60.007 0.000 0.7132 0.4331 1 737 785 53.968 0.000 0.9195 0.5552 1 737 790 0.000 0.000 0.9778 0.7717 1 737 791 -44.985 0.000 0.9147 0.6366 1 737 800 17.957 0.000 0.8740 0.5983 1 737 809 17.965 0.000 0.9487 0.8259 1 737 897 -18.984 0.000 0.9312 0.7444 1 737 901 -0.009 0.000 0.8789 0.5783 1 737 909 37.925 0.000 0.7912 0.5741 1 737 913 37.916 0.000 0.7821 0.5904 1 737 914 -0.144 0.000 0.8999 0.6308 1 737 928 -29.952 0.000 0.9101 0.5763 1 737 931 -37.957 0.000 0.8302 0.4974 1 737 938 -64.921 0.000 0.7016 0.5938 1 737 1210 37.923 0.000 0.8837 0.6402 1 737 1243 37.916 0.000 0.7309 0.4953 1 737 1277 37.925 0.000 0.8414 0.5544 1 737 1286 37.925 0.000 0.8349 0.5741 1 739 741 -0.001 0.000 0.9599 0.8066 1 739 750 2.016 0.000 0.8371 0.6956 1 739 752 2.015 0.000 0.8117 0.6966 1 739 755 -43.991 0.000 0.7068 0.4607 1 739 757 92.047 0.000 0.7157 0.4196 1 739 807 -70.005 0.000 0.8409 0.6617 1 739 820 2.015 0.000 0.8069 0.7064 1 739 823 92.047 0.000 0.7098 0.4173 1 739 824 2.016 0.000 0.7933 0.6966 1 739 844 -132.044 0.000 0.7960 0.6418 1 739 904 -27.996 0.000 0.7526 0.6393 1 739 961 -160.040 0.000 0.8488 0.7264 1 739 1009 2.015 0.000 0.7951 0.7017 1 739 1065 -88.017 0.000 0.7133 0.4983 1 739 1067 -86.002 0.000 0.7320 0.7000 1 739 1076 -86.001 0.000 0.7297 0.6890 1 741 748 -43.989 0.000 0.7278 0.4611 1 741 750 2.017 0.000 0.8493 0.6846 1 741 752 2.016 0.000 0.8266 0.6876 1 741 755 -43.990 0.000 0.7425 0.4979 1 741 757 92.049 0.000 0.7029 0.3994 1 741 807 -70.004 0.000 0.8355 0.6475 1 741 819 -43.990 0.000 0.7211 0.4497 1 741 820 2.016 0.000 0.8209 0.6920 1 741 824 2.017 0.000 0.8079 0.6840 1 741 844 -132.043 0.000 0.8309 0.6602 1 741 904 -27.995 0.000 0.7592 0.6851 1 741 961 -160.039 0.000 0.8886 0.7854 1 741 1009 2.017 0.000 0.8050 0.7615 1 741 1065 -88.015 0.000 0.7284 0.4911 1 741 1067 -86.001 0.000 0.7356 0.7380 1 741 1076 -86.000 0.000 0.7308 0.6662 1 742 1192 -23.018 0.000 0.9763 0.7203 1 747 1063 -0.009 0.000 0.9692 0.6739 1 747 1108 -0.008 0.000 0.9693 0.6766 1 748 750 46.006 0.000 0.8225 0.5951 1 748 752 46.005 0.000 0.8571 0.6843 1 748 755 -0.001 0.000 0.8731 0.6270 1 748 819 -0.002 0.000 0.8694 0.6332 1 748 820 46.005 0.000 0.8468 0.6889 1 748 824 46.006 0.000 0.8475 0.6585 1 748 844 -88.054 0.000 0.7559 0.5302 1 748 961 -116.050 0.000 0.7871 0.5243 1 748 1065 -44.027 0.000 0.8265 0.5556 1 749 1108 -0.009 0.000 0.9776 0.7169 1 749 1129 -0.002 0.000 0.9804 0.7893 1 749 1149 107.990 0.000 0.9746 0.8203 1 749 1184 -0.002 0.000 0.9771 0.7003 1 749 1264 107.996 0.000 0.9764 0.8173 1 749 1274 -0.010 0.000 0.9778 0.7205 1 750 752 -0.001 0.000 0.9687 0.8631 1 750 755 -46.007 0.000 0.8978 0.7977 1 750 756 18.010 0.000 0.7080 0.6604 1 750 757 90.031 0.000 0.7294 0.5333 1 750 807 -72.021 0.000 0.7446 0.7469 1 750 819 -46.007 0.000 0.8640 0.6944 1 750 820 -0.001 0.000 0.9543 0.8040 1 750 821 18.010 0.000 0.7250 0.7232 1 750 823 90.031 0.000 0.7496 0.5142 1 750 824 -0.000 0.000 0.9564 0.8343 1 750 844 -134.060 0.000 0.7998 0.6497 1 750 961 -162.056 0.000 0.8616 0.6976 1 750 1065 -90.032 0.000 0.8164 0.6221 1 750 1097 -15.996 0.000 0.7392 0.6562 1 750 1153 -15.996 0.000 0.7271 0.6407 1 751 822 0.000 0.000 0.7829 0.6208 1 752 755 -46.006 0.000 0.9135 0.8078 1 752 756 18.012 0.000 0.7199 0.6943 1 752 757 90.033 0.000 0.7173 0.5549 1 752 819 -46.006 0.000 0.8857 0.7003 1 752 820 0.000 0.000 0.9747 0.8802 1 752 821 18.012 0.000 0.7443 0.7872 1 752 823 90.033 0.000 0.7395 0.5364 1 752 824 0.001 0.000 0.9775 0.8771 1 752 844 -134.059 0.000 0.7836 0.6497 1 752 961 -162.055 0.000 0.8435 0.7086 1 752 1065 -90.031 0.000 0.8267 0.6221 1 753 817 0.000 0.000 0.9581 0.7551 1 754 760 0.038 0.000 0.9274 0.7426 1 754 818 0.000 0.000 0.8843 0.6646 1 754 1010 10.009 0.000 0.7969 0.5807 1 754 1090 10.009 0.000 0.8224 0.5946 1 755 819 -0.000 0.000 0.8927 0.6860 1 755 820 46.006 0.000 0.8911 0.7584 1 755 824 46.007 0.000 0.8995 0.7831 1 755 843 -134.058 0.000 0.7028 0.6153 1 755 844 -88.053 0.000 0.7901 0.6218 1 755 961 -116.049 0.000 0.8152 0.5982 1 755 1065 -44.025 0.000 0.8542 0.6221 1 756 820 -18.012 0.000 0.7309 0.7159 1 756 821 -0.000 0.000 0.9368 0.7652 1 756 824 -18.011 0.000 0.7093 0.6533 1 757 758 -13.991 0.000 0.7249 0.7436 1 757 781 4.028 0.000 0.7727 0.5704 1 757 807 -162.052 0.000 0.8089 0.5619 1 757 820 -90.032 0.000 0.7157 0.5682 1 757 823 0.000 0.000 0.9139 0.7536 1 757 824 -90.032 0.000 0.7195 0.5623 1 757 860 4.027 0.000 0.7891 0.6889 1 757 864 4.023 0.000 0.7891 0.6889 1 757 901 -45.870 0.000 0.7702 0.5470 1 757 922 -27.011 0.000 0.7119 0.6045 1 757 961 -252.088 0.000 0.7135 0.4333 1 757 1050 -13.991 0.000 0.8097 0.7436 1 757 1090 -13.991 0.000 0.7685 0.6471 1 757 1130 4.022 0.000 0.7713 0.5704 1 757 1131 -13.991 0.000 0.7532 0.6889 1 757 1202 4.022 0.000 0.7801 0.5672 1 758 795 0.000 0.000 0.9506 0.7698 1 758 823 13.991 0.000 0.7561 0.6620 1 758 854 -0.003 0.000 0.9244 0.7111 1 758 870 0.000 0.000 0.9469 0.8053 1 758 884 -15.036 0.000 0.7652 0.5827 1 758 1022 -11.005 0.000 0.7947 0.5102 1 758 1050 0.000 0.000 0.9179 0.7824 1 758 1090 0.000 0.000 0.9244 0.6471 1 758 1131 0.000 0.000 0.9426 0.7536 1 758 1150 0.000 0.000 0.9439 0.7267 1 760 818 -0.038 0.000 0.8546 0.6646 1 760 1050 9.971 0.000 0.7791 0.5468 1 760 1090 9.971 0.000 0.8510 0.7042 1 760 1131 9.971 0.000 0.8108 0.5456 1 765 800 -31.932 0.000 0.9066 0.6955 1 765 837 0.000 0.000 0.9879 0.8657 1 765 842 -0.004 0.000 0.9802 0.7842 1 765 860 -0.002 0.000 0.9841 0.8058 1 765 864 -0.005 0.000 0.9841 0.8058 1 765 865 -0.012 0.000 0.9887 0.8735 1 765 911 -7.932 0.000 0.7280 0.7677 1 765 1039 -108.004 0.000 0.9682 0.7550 1 765 1181 -0.004 0.000 0.9880 0.8655 1 765 1325 -0.006 0.000 0.9841 0.8105 1 766 790 60.007 0.000 0.7143 0.4295 1 766 791 15.022 0.000 0.7239 0.6818 1 766 794 0.000 0.000 0.7208 0.8709 1 766 809 77.972 0.000 0.7317 0.4963 1 766 909 97.933 0.000 0.9029 0.5691 1 766 913 97.924 0.000 0.9022 0.5545 1 766 985 81.907 0.000 0.7556 0.6334 1 766 1023 81.857 0.000 0.7013 0.5247 1 766 1059 81.907 0.000 0.7355 0.5119 1 766 1210 97.930 0.000 0.8464 0.6182 1 766 1234 97.923 0.000 0.9194 0.5576 1 766 1243 97.923 0.000 0.9160 0.5420 1 766 1277 97.932 0.000 0.8709 0.5335 1 766 1286 97.932 0.000 0.8743 0.5579 1 766 1313 97.932 0.000 0.8541 0.5335 1 767 784 0.001 0.000 0.9346 0.7143 1 767 805 0.000 0.000 0.9467 0.7889 1 767 917 -1.003 0.000 0.8312 0.6940 1 767 921 -0.002 0.000 0.9289 0.6920 1 767 927 -14.017 0.000 0.7831 0.6914 1 767 959 -0.000 0.000 0.9375 0.7460 1 767 994 -0.001 0.000 0.9575 0.8178 1 767 998 -0.000 0.000 0.9359 0.7367 1 767 1019 -0.001 0.000 0.9489 0.7952 1 767 1021 -0.000 0.000 0.9362 0.7367 1 767 1047 -0.000 0.000 0.9423 0.7660 1 767 1069 -0.001 0.000 0.9499 0.8394 1 767 1070 -1.003 0.000 0.8253 0.6428 1 767 1071 -14.016 0.000 0.7751 0.6366 1 767 1221 -14.017 0.000 0.7912 0.6801 1 767 1222 -0.002 0.000 0.9320 0.7402 1 767 1225 -1.003 0.000 0.8280 0.6744 1 767 1232 -0.009 0.000 0.9421 0.7628 1 767 1237 -1.003 0.000 0.8279 0.6518 1 767 1238 -14.017 0.000 0.7967 0.6366 1 767 1241 -0.001 0.000 0.9325 0.7073 1 767 1247 -14.016 0.000 0.7487 0.6092 1 767 1248 -0.010 0.000 0.9365 0.7040 1 767 1252 -0.009 0.000 0.9445 0.7628 1 767 1255 -0.009 0.000 0.9410 0.7525 1 767 1256 -0.010 0.000 0.9380 0.7367 1 767 1268 -0.010 0.000 0.9363 0.7251 1 767 1279 -0.001 0.000 0.9423 0.7367 1 767 1287 -0.000 0.000 0.9395 0.7047 1 767 1288 -0.002 0.000 0.9462 0.7568 1 767 1319 -0.000 0.000 0.9339 0.7384 1 767 1321 -0.000 0.000 0.9370 0.7367 1 767 1323 -0.001 0.000 0.9412 0.7055 1 767 1326 0.000 0.000 0.9255 0.7073 1 770 838 -0.016 0.000 0.9903 0.8722 1 770 1091 -108.009 0.000 0.9722 0.7516 1 770 1199 -108.002 0.000 0.9695 0.7395 1 770 1322 -108.002 0.000 0.9681 0.6928 1 771 909 -1.976 0.000 0.7075 0.5726 1 771 913 -1.985 0.000 0.7056 0.5726 1 771 980 -104.040 0.000 0.8875 0.6059 1 771 1210 -1.979 0.000 0.7038 0.6021 1 771 1277 -1.977 0.000 0.7108 0.5726 1 771 1286 -1.977 0.000 0.7083 0.5726 1 771 1313 -1.977 0.000 0.7039 0.5726 1 781 1229 -0.011 0.000 0.9880 0.7684 1 782 794 0.021 0.000 0.9934 0.9087 1 782 909 97.954 0.000 0.9198 0.6214 1 782 913 97.945 0.000 0.9146 0.6176 1 782 1210 97.951 0.000 0.9309 0.6659 1 782 1233 -0.033 0.000 0.8165 0.5961 1 782 1234 97.944 0.000 0.8794 0.6395 1 782 1243 97.945 0.000 0.8921 0.5782 1 782 1277 97.954 0.000 0.9241 0.5682 1 782 1286 97.954 0.000 0.9242 0.6082 1 782 1313 97.954 0.000 0.9172 0.5782 1 783 788 62.950 0.000 0.8481 0.4696 1 783 791 79.952 0.000 0.9066 0.7460 1 783 1069 68.802 0.000 0.7364 0.4200 1 783 1255 68.794 0.000 0.7318 0.4160 1 784 805 -0.001 0.000 0.9517 0.7600 1 784 917 -1.004 0.000 0.8165 0.5898 1 784 921 -0.003 0.000 0.9518 0.7756 1 784 927 -14.018 0.000 0.7878 0.6857 1 784 959 -0.001 0.000 0.9553 0.7539 1 784 994 -0.002 0.000 0.9613 0.8069 1 784 998 -0.001 0.000 0.9548 0.7787 1 784 1019 -0.002 0.000 0.9610 0.8318 1 784 1021 -0.001 0.000 0.9471 0.7741 1 784 1047 -0.001 0.000 0.9403 0.7122 1 784 1069 -0.002 0.000 0.9541 0.7734 1 784 1070 -1.004 0.000 0.8064 0.5228 1 784 1071 -14.017 0.000 0.7983 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1 785 1286 -16.043 0.000 0.9022 0.5872 1 785 1330 -4.085 0.000 0.9740 0.8110 1 788 789 94.862 0.000 0.7455 0.4681 1 788 800 79.944 0.000 0.8031 0.5067 1 788 809 79.952 0.000 0.8200 0.5981 1 789 804 1.076 0.000 0.8656 0.6878 1 789 809 -14.910 0.000 0.7646 0.7269 1 789 817 0.986 0.000 0.8532 0.6523 1 790 791 -44.985 0.000 0.9192 0.6453 1 790 809 17.965 0.000 0.9365 0.7559 1 790 897 -18.984 0.000 0.9264 0.6972 1 790 901 -0.009 0.000 0.8905 0.5519 1 790 914 -0.144 0.000 0.8984 0.5564 1 791 800 62.942 0.000 0.8739 0.4898 1 791 809 62.950 0.000 0.9492 0.6789 1 791 897 26.001 0.000 0.8267 0.4463 1 791 901 44.976 0.000 0.8419 0.6226 1 791 902 42.979 0.000 0.8487 0.4843 1 791 909 82.910 0.000 0.7407 0.4236 1 791 913 82.901 0.000 0.7325 0.4230 1 791 928 15.033 0.000 0.8146 0.3796 1 791 996 77.814 0.000 0.7363 0.4729 1 791 1138 47.003 0.000 0.7070 0.3604 1 791 1210 82.908 0.000 0.8157 0.5363 1 791 1277 82.910 0.000 0.7756 0.3835 1 791 1286 82.910 0.000 0.7776 0.4607 1 791 1313 82.910 0.000 0.7797 0.3988 1 791 1325 94.868 0.000 0.7999 0.3770 1 791 1330 94.868 0.000 0.8052 0.3750 1 792 1332 -0.001 0.000 0.9889 0.8450 1 794 909 97.933 0.000 0.9182 0.6478 1 794 913 97.924 0.000 0.9134 0.6397 1 794 1210 97.930 0.000 0.9204 0.7067 1 794 1233 -0.054 0.000 0.7989 0.5271 1 794 1234 97.923 0.000 0.8837 0.6478 1 794 1243 97.923 0.000 0.8953 0.6019 1 794 1277 97.932 0.000 0.9169 0.6019 1 794 1286 97.932 0.000 0.9169 0.6375 1 794 1313 97.932 0.000 0.9067 0.6019 1 795 870 0.000 0.000 0.9362 0.7583 1 796 813 -0.010 0.000 0.9849 0.8377 1 796 860 -0.000 0.000 0.9824 0.8089 1 796 864 -0.003 0.000 0.9824 0.8089 1 796 952 0.001 0.000 0.9922 0.8393 1 796 1112 -0.004 0.000 0.9873 0.8366 1 796 1181 -0.002 0.000 0.9859 0.8366 1 796 1208 -0.003 0.000 0.9905 0.8377 1 796 1245 -0.000 0.000 0.9918 0.8393 1 799 990 0.000 0.000 0.9728 0.8065 1 799 1286 -0.001 0.000 0.9409 0.7829 1 800 809 0.008 0.000 0.9168 0.7072 1 800 860 31.931 0.000 0.9044 0.7047 1 800 864 31.928 0.000 0.9044 0.7047 1 800 865 31.920 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0.9716 0.8043 1 1327 1334 -0.007 0.000 0.9866 0.8029 1 1329 1333 -0.007 0.000 0.9865 0.8188 1 1330 1334 -108.005 0.000 0.9795 0.8196 1 nf_output/SUMNER.mgf.tsv0000644000000000000000000000000114652135335014114 0ustar rootroot nf_output/GNPS-FAULKNERLEGACY.mgf.tsv0000644000000000000000000000000114652135335015744 0ustar rootroot nf_output/PSU-MSMLS.mgf.tsv0000644000000000000000000000000114652135335014443 0ustar rootroot nf_output/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335017203 0ustar rootroot nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf.tsv0000644000000000000000000000000114652135336017604 0ustar rootroot nf_output/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335017126 0ustar rootroot nf_output/LEAFBOT.mgf.tsv0000644000000000000000000000000114652135335014157 0ustar rootroot nf_output/GNPS-NIH-CLINICALCOLLECTION2.mgf.tsv0000644000000000000000000000000114652135335017100 0ustar rootroot nf_output/DMIM-DRUG-METABOLITE-LIBRARY.mgf.tsv0000644000000000000000000000000114652135337017117 0ustar rootroot nf_output/GNPS-D2-AMINO-LIPID-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335016717 0ustar rootroot nf_output/ELIXDB-LICHEN-DATABASE.mgf.tsv0000644000000000000000000000000114652135335016154 0ustar rootroot nf_output/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf.tsv0000644000000000000000000000000114652135335017063 0ustar rootroot nf_output/XANTHONES-DB.mgf.tsv0000644000000000000000000000000114652135335014735 0ustar rootroot nf_output/LDB_POSITIVE.mgf.tsv0000644000000000000000000000000114652135335015026 0ustar rootroot nf_output/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf.tsv0000644000000000000000000000000114652135335020320 0ustar rootroot nf_output/MASSBANKEU.mgf.tsv0000644000000000000000000000000114652135335014534 0ustar rootroot nf_resume_cmd.sh0000644000000000000000000000121114652135321012713 0ustar rootrootnextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_parameters.yaml -w /data/nf_data/server/nf_work/a10155676345444dba86da0964c1f43f -with-report /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_report.html -with-timeline /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/a10155676345444dba86da0964c1f43f/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/a10155676345444dba86da0964c1f43f -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000173314652135321015064 0ustar rootrootcreate_time: 2024-07-30 03:04:17 PDT-0700 description: FBMN_mapp_batch_00059 featurefindingtool: MZMINE fragment_tolerance: '0.1' input_libraries: LIBRARYLOCATION/LC/LIBRARY input_raw_spectra: '' input_supplemental_edges: '' inputfeatures: USERUPLOAD/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_quant.csv inputspectra: USERUPLOAD/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091.mgf library_analog_search: '0' library_min_cosine: '0.7' library_min_matched_peaks: '6' library_topk: '1' metadata_filename: USERUPLOAD/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_metadata.tsv min_peak_intensity: '0.0' networking_max_shift: '1999' networking_min_cosine: '0.7' networking_min_matched_peaks: '6' normalization: None pm_tolerance: '0.1' precursor_filter: 'yes' task: a10155676345444dba86da0964c1f43f window_filter: 'yes' workflow_version: SERVER:0.1.2;WORKFLOW:2024.06.24 workflowname: feature_based_molecular_networking_workflow workflowdisplay.yaml0000644000000000000000000002456714652135321013720 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 `;}}]' - 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