flow_filelinking.yaml 0000644 0000000 0000000 00000012043 14652135321 013764 0 ustar root root - 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/ 0000755 0000000 0000000 00000000000 14652135321 012751 5 ustar root root input_libraries/MMV_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 031515 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgf ustar root root input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 034025 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgf ustar root root input_libraries/PSU-MSMLS.mgf 0000777 0000000 0000000 00000000000 14652135321 030453 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgf ustar root root input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 036541 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf ustar root root input_libraries/MIADB.mgf 0000777 0000000 0000000 00000000000 14652135321 027203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgf ustar root root ././@LongLink 0000644 0000000 0000000 00000000152 00000000000 011600 K ustar root root /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 043024 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar root root input_libraries/MONA.mgf 0000777 0000000 0000000 00000000000 14652135321 027037 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgf ustar root root input_libraries/MASSBANKEU.mgf 0000777 0000000 0000000 00000000000 14652135321 030635 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgf ustar root root input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 035203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgf ustar root root input_libraries/GNPS-COLLECTIONS-MISC.mgf 0000777 0000000 0000000 00000000000 14652135321 033703 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf 0000777 0000000 0000000 00000000000 14652135321 035543 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf 0000777 0000000 0000000 00000000000 14652135321 034453 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgf ustar root root input_libraries/BILELIB19.mgf 0000777 0000000 0000000 00000000000 14652135321 030203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf 0000777 0000000 0000000 00000000000 14652135321 034755 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgf ustar root root input_libraries/PNNL-LIPIDS-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 033535 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 040105 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf ustar root root ././@LongLink 0000644 0000000 0000000 00000000152 00000000000 011600 K ustar root root /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 042724 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar root root input_libraries/XANTHONES-DB.mgf 0000777 0000000 0000000 00000000000 14652135321 031237 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgf ustar root root input_libraries/IQAMDB.mgf 0000777 0000000 0000000 00000000000 14652135321 027445 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgf ustar root root input_libraries/GNPS-NIST14-MATCHES.mgf 0000777 0000000 0000000 00000000000 14652135321 033075 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgf ustar root root input_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 035577 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgf ustar root root input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf 0000777 0000000 0000000 00000000000 14652135321 034555 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgf ustar root root input_libraries/GNPS-FAULKNERLEGACY.mgf 0000777 0000000 0000000 00000000000 14652135321 033255 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgf ustar root root input_libraries/RESPECT.mgf 0000777 0000000 0000000 00000000000 14652135321 027765 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgf ustar root root input_libraries/MMV_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 031415 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf 0000777 0000000 0000000 00000000000 14652135321 034373 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 040205 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf ustar root root input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf 0000777 0000000 0000000 00000000000 14652135321 033745 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgf ustar root root ././@LongLink 0000644 0000000 0000000 00000000150 00000000000 011576 K ustar root root /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf input_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 042135 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar root root input_libraries/PNNL-LIPIDS-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 033435 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgf ustar root root input_libraries/CASMI.mgf 0000777 0000000 0000000 00000000000 14652135321 027243 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgf ustar root root input_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 036053 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.mgf ustar root root input_libraries/LEAFBOT.mgf 0000777 0000000 0000000 00000000000 14652135321 027703 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgf ustar root root input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0000777 0000000 0000000 00000000000 14652135321 040141 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf 0000777 0000000 0000000 00000000000 14652135321 034177 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgf ustar root root input_libraries/MSNLIB-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 032123 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgf ustar root root input_libraries/GNPS-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 031275 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgf ustar root root input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 036753 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf ustar root root input_libraries/PHENOLICSDB.mgf 0000777 0000000 0000000 00000000000 14652135321 031037 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgf ustar root root input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 037025 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf ustar root root input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 035621 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf ustar root root input_libraries/ELIXDB-LICHEN-DATABASE.mgf 0000777 0000000 0000000 00000000000 14652135321 033675 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgf ustar root root input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 035513 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf ustar root root input_libraries/LDB_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 031421 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgf ustar root root input_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 035753 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf ustar root root input_libraries/MASSBANK.mgf 0000777 0000000 0000000 00000000000 14652135321 030151 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf 0000777 0000000 0000000 00000000000 14652135321 034757 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgf ustar root root input_libraries/UM-NPDC.mgf 0000777 0000000 0000000 00000000000 14652135321 027661 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgf ustar root root input_libraries/GNPS-MSMLS.mgf 0000777 0000000 0000000 00000000000 14652135321 030653 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgf ustar root root input_libraries/HMDB.mgf 0000777 0000000 0000000 00000000000 14652135321 026777 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgf ustar root root input_libraries/NEO-MSMS.mgf 0000777 0000000 0000000 00000000000 14652135321 030147 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgf ustar root root input_libraries/MSNLIB-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 032223 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgf ustar root root input_libraries/SUMNER.mgf 0000777 0000000 0000000 00000000000 14652135321 027575 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgf ustar root root input_libraries/GNPS-EMBL-MCF.mgf 0000777 0000000 0000000 00000000000 14652135321 031331 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgf ustar root root input_libraries/BERKELEY-LAB.mgf 0000777 0000000 0000000 00000000000 14652135321 031147 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgf ustar root root input_libraries/GNPS-IOBA-NHC.mgf 0000777 0000000 0000000 00000000000 14652135321 031325 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgf ustar root root input_libraries/GNPS-SCIEX-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 033017 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf 0000777 0000000 0000000 00000000000 14652135321 034257 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf 0000777 0000000 0000000 00000000000 14652135321 035545 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgf ustar root root input_libraries/LDB_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14652135321 031321 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgf ustar root root input_libraries/BMDMS-NP.mgf 0000777 0000000 0000000 00000000000 14652135321 030105 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgf ustar root root input_libraries/CMMC-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14652135321 031215 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgf ustar root root input_raw_spectra/ 0000755 0000000 0000000 00000000000 14652135321 013307 5 ustar root root input_supplemental_edges/ 0000755 0000000 0000000 00000000000 14652135321 014655 5 ustar root root inputfeatures/ 0000755 0000000 0000000 00000000000 14652135321 012454 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_quant.csv inputfeatures/mapp_batch_00091_quant.csv 0000777 0000000 0000000 00000000000 14652135321 040753 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_quant.custar root root inputspectra/ 0000755 0000000 0000000 00000000000 14652135321 012277 5 ustar root root inputspectra/mapp_batch_00091.mgf 0000777 0000000 0000000 00000000000 14652135321 036463 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091.mgf ustar root root job_dag.html 0000644 0000000 0000000 00000021514 14652135746 012047 0 ustar root root
Nextflow Cytoscape.js with Dagre
Nextflow Cytoscape.js with Dagre
job_parameters.yaml 0000644 0000000 0000000 00000002545 14652135321 013445 0 ustar root root OMETAFLOW_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.html 0000644 0000000 0000000 00013707777 14652135745 012660 0 ustar root root
[extravagant_darwin] Nextflow Workflow Report
Nextflow 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
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.html 0000644 0000000 0000000 00001073701 14652135746 013130 0 ustar root root
Processes execution timeline
Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)
metadata_filename/ 0000755 0000000 0000000 00000000000 14652135321 013176 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000152 00000000000 011600 K ustar root root /data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_metadata.tsv metadata_filename/mapp_batch_00091_metadata.tsv 0000777 0000000 0000000 00000000000 14652135321 042214 2/data/nf_data/useruploads/pmallard/MAPP/mapp_project_00007/mapp_batch_00091/mapp_batch_00091_metadatustar root root nextflow_stdout.log 0000644 0000000 0000000 00000174021 14652135746 013551 0 ustar root root N 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
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executor > local (93)
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executor > local (131)
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executor > local (131)
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executor > local (131)
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executor > local (131)
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[- ] 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)
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[5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔
[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] 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)
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[5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔
[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] 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 -
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[79/473cea] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[57/c81a5a] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[71/8aae68] process > createMetadataFile [100%] 1 of 1 ✔
[79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔
[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
[4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62
[- ] process > librarygetGNPSAnnotations -
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[57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔
[6c/ee92fa] process > filterNetwork (1) [ 0%] 0 of 1
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[79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
[4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62
[- ] process > librarygetGNPSAnnotations -
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[57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔
[6c/ee92fa] process > filterNetwork (1) [ 0%] 0 of 1
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[79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] 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) [ 0%] 0 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 ✔
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[- ] process > librarymergeResults -
[4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62
[- ] process > librarygetGNPSAnnotations -
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[57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔
[6c/ee92fa] process > filterNetwork (1) [ 0%] 0 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
[4e/7c97f1] process > summaryLibrary (61) [ 98%] 61 of 62
[- ] process > librarygetGNPSAnnotations -
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[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)
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[5e/5652ce] process > quantification_table_reform... [100%] 1 of 1 ✔
[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[7b/5fbe7c] process > librarySearchData (27) [ 72%] 45 of 62
[- ] process > librarymergeResults -
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[c8/2265fe] process > librarySearchData (60) [ 74%] 46 of 62
[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
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[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[c5/321202] process > librarySearchData (20) [ 82%] 51 of 62
[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[57/c81a5a] process > calculatePairs (1) [100%] 1 of 1 ✔
[6c/ee92fa] process > filterNetwork (1) [100%] 1 of 1 ✔
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[79/473cea] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[82/02670a] process > librarySearchData (46) [ 83%] 52 of 62
[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
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[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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[a5/ca148a] process > librarySearchData (15) [ 85%] 53 of 62
[- ] process > librarymergeResults -
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[- ] 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)
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[1d/978667] process > filter_spectra (1) [100%] 1 of 1 ✔
[83/8152f8] process > librarySearchData (61) [ 87%] 54 of 62
[- ] process > librarymergeResults -
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[- ] 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.sh 0000644 0000000 0000000 00000001201 14652135321 011332 0 ustar root root 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 nf_output/ 0000755 0000000 0000000 00000000000 14652135741 011607 5 ustar root root nf_output/GNPS-SCIEX-LIBRARY.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 015625 0 ustar root root
nf_output/PNNL-LIPIDS-NEGATIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135336 016035 0 ustar root root
nf_output/MSNLIB-NEGATIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135337 015271 0 ustar root root
nf_output/MMV_POSITIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 015064 0 ustar root root
nf_output/DRUGS-OF-ABUSE-LIBRARY.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 016230 0 ustar root root
nf_output/HMDB.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 013615 0 ustar root root
nf_output/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 017476 0 ustar root root
nf_output/GNPS-NUTRI-METAB-FEM-POS.mgf.tsv 0000644 0000000 0000000 00000000001 14652135336 016444 0 ustar root root
nf_output/NEO-MSMS.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 014301 0 ustar root root
nf_output/BIRMINGHAM-UHPLC-MS-POS.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 016345 0 ustar root root
nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 022116 0 ustar root root
nf_output/clustering/ 0000755 0000000 0000000 00000000000 14652135337 013767 5 ustar root root nf_output/clustering/spectra_reformatted.mgf 0000644 0000000 0000000 00001424466 14652135337 020540 0 ustar root root BEGIN IONS
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76.0053 17000.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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67.9998 40000.0
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PEPMASS=112.984
CHARGE=-1
COLLISION_ENERGY=0.0
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114.0177 2500.0
END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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104.0338 36000.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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212.7079 2200.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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146.0442 210000.0
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PEPMASS=315.081
CHARGE=-1
COLLISION_ENERGY=0.0
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319.0208 3100.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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COLLISION_ENERGY=0.0
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END IONS
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CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=104.0272
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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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
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104.0241 9200.0
END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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57.3846 24000.0
57.992 440000.0
63.7753 28000.0
71.9644 29000.0
85.0027 8500000.0
85.0134 64000.0
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END IONS
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PEPMASS=195.0493
CHARGE=-1
COLLISION_ENERGY=0.0
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57.0332 5000.0
59.0122 14000.0
67.0701 2700.0
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85.0024 3400.0
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141.017 4400.0
144.3819 2300.0
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177.0385 4900.0
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195.0502 97000.0
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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
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PEPMASS=245.043
CHARGE=-1
COLLISION_ENERGY=0.0
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62.9627 130000.0
63.0826 4100.0
64.14 3500.0
75.0193 3600.0
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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
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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
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89.0226 3200.0
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98.2256 2400.0
115.002 68000.0
129.6712 2200.0
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133.0125 16000.0
147.8857 2000.0
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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
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153.0094 5100.0
153.0124 3500.0
171.0046 91000.0
203.8705 2500.0
245.0425 290000.0
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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54.2107 2400.0
54.8668 2400.0
57.9921 5200.0
66.3582 2500.0
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85.0028 2100000.0
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172.0341 2600.0
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192.9966 2600.0
193.0864 4600.0
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PEPMASS=102.0079
CHARGE=-1
COLLISION_ENERGY=0.0
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51.5147 2400.0
64.0728 1900.0
75.7411 2000.0
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102.009 2800.0
111.8484 2300.0
116.9199 3000.0
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PEPMASS=84.9976
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 460000.0
68.0 37000.0
74.847 28000.0
75.2065 34000.0
85.0028 9800000.0
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96.8898 41000.0
END IONS
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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
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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
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96.888 43000.0
END IONS
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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
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90.9324 4000.0
96.8892 5700.0
144.0108 3500.0
180.3026 2600.0
193.0874 6100.0
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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
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85.9513 32000.0
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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
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193.0856 7200.0
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PEPMASS=84.9999
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 510000.0
60.782 31000.0
63.84 26000.0
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85.0028 9500000.0
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99.7615 33000.0
END IONS
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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
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103.0161 26000.0
103.0287 3200.0
END IONS
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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
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PEPMASS=85.0117
CHARGE=-1
COLLISION_ENERGY=0.0
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68.0 32000.0
71.0995 21000.0
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85.0028 8000000.0
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95.0938 22000.0
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END IONS
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PEPMASS=211.0077
CHARGE=-1
COLLISION_ENERGY=0.0
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56.2352 2300.0
59.0125 7800.0
67.0363 2500.0
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85.0028 170000.0
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221.8326 2300.0
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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71.9815 3700.0
84.9922 16000.0
84.9943 12000.0
85.0028 2300000.0
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85.0134 16000.0
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193.0859 11000.0
209.8744 2800.0
END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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51.5129 29000.0
57.9919 310000.0
67.2474 24000.0
85.0028 6900000.0
96.8891 44000.0
END IONS
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PEPMASS=134.863
CHARGE=-1
COLLISION_ENERGY=0.0
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80.0592 2000.0
96.8913 3000.0
134.8639 300000.0
END IONS
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PEPMASS=132.8653
CHARGE=-1
COLLISION_ENERGY=0.0
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57.1709 2100.0
71.0121 27000.0
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81.8094 2200.0
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115.0143 2200.0
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134.0569 2200.0
138.5853 2100.0
END IONS
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PEPMASS=104.0294
CHARGE=-1
COLLISION_ENERGY=0.0
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64.9761 4300.0
76.4195 3800.0
86.9734 3700.0
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104.0241 5300.0
END IONS
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
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54.9415 2100.0
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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
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PEPMASS=84.9974
CHARGE=-1
COLLISION_ENERGY=0.0
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59.2112 16000.0
64.3171 13000.0
85.0029 4300000.0
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98.1244 17000.0
END IONS
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PEPMASS=245.0251
CHARGE=-1
COLLISION_ENERGY=0.0
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62.9532 3300.0
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204.9747 10000.0
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END IONS
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PEPMASS=192.9978
CHARGE=-1
COLLISION_ENERGY=0.0
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57.9921 6700.0
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85.0029 2200000.0
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122.2174 3500.0
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END IONS
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PEPMASS=104.0295
CHARGE=-1
COLLISION_ENERGY=0.0
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51.1171 3800.0
51.5406 3300.0
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83.2631 3700.0
94.2708 4300.0
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121.8596 3500.0
END IONS
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PEPMASS=84.9999
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 360000.0
58.8814 29000.0
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END IONS
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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
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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
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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
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102.2823 4600.0
104.0237 11000.0
112.7509 4300.0
END IONS
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PEPMASS=85.0058
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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96.2321 22000.0
96.8908 27000.0
END IONS
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
51.02 2100.0
52.6472 1800.0
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68.7433 2100.0
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76.0048 14000.0
92.7215 2100.0
96.8906 3000.0
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119.718 2400.0
END IONS
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PEPMASS=104.0272
CHARGE=-1
COLLISION_ENERGY=0.0
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51.8493 3500.0
54.7731 3400.0
57.0428 3500.0
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87.6803 3200.0
96.8891 5400.0
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107.9077 4200.0
124.6241 4100.0
END IONS
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PEPMASS=133.0123
CHARGE=-1
COLLISION_ENERGY=0.0
51.5238 2300.0
56.9866 2100.0
65.9568 2500.0
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72.9917 4800.0
89.0233 5500.0
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117.1747 2500.0
117.2191 2300.0
118.6914 1900.0
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133.0397 3200.0
152.5782 2200.0
END IONS
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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
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85.0028 4400.0
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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
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PEPMASS=104.0295
CHARGE=-1
COLLISION_ENERGY=0.0
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96.8879 6700.0
97.2195 4000.0
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106.3116 4100.0
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121.7576 3500.0
124.5874 3700.0
END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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129.3816 2900.0
193.0864 7400.0
END IONS
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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
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PEPMASS=245.0419
CHARGE=-1
COLLISION_ENERGY=0.0
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62.9628 130000.0
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80.9731 330000.0
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227.0331 4600.0
245.0426 170000.0
END IONS
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PEPMASS=133.0121
CHARGE=-1
COLLISION_ENERGY=0.0
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61.8632 1800.0
63.0955 2000.0
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PEPMASS=173.1017
CHARGE=-1
COLLISION_ENERGY=0.0
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67.4874 1900.0
83.9553 2000.0
96.8884 4800.0
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131.0809 400000.0
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END IONS
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PEPMASS=84.9976
CHARGE=-1
COLLISION_ENERGY=0.0
57.992 370000.0
76.6165 26000.0
85.0028 6800000.0
88.5046 27000.0
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97.2411 23000.0
END IONS
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PEPMASS=193.005
CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=85.0056
CHARGE=-1
COLLISION_ENERGY=0.0
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59.6282 22000.0
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84.9921 48000.0
85.0028 7200000.0
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END IONS
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PEPMASS=85.0118
CHARGE=-1
COLLISION_ENERGY=0.0
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67.9998 21000.0
78.1229 24000.0
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END IONS
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PEPMASS=103.0129
CHARGE=-1
COLLISION_ENERGY=0.0
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59.0124 120000.0
76.0047 10000.0
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103.0158 25000.0
END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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66.5232 2600.0
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END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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68.0001 36000.0
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84.9921 73000.0
85.0027 9000000.0
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PEPMASS=211.0077
CHARGE=-1
COLLISION_ENERGY=0.0
59.0126 10000.0
64.2687 2300.0
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85.0027 270000.0
87.3 2000.0
96.8905 2500.0
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103.0132 7000.0
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139.8961 4300.0
156.2488 2100.0
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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
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103.8501 23000.0
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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
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98.6669 23000.0
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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
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106.5414 2300.0
115.002 270000.0
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133.0125 60000.0
149.8647 2100.0
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
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59.0124 130000.0
59.2844 1900.0
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117.471 1900.0
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PEPMASS=84.9999
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 400000.0
58.5947 23000.0
67.9997 33000.0
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PEPMASS=193.0051
CHARGE=-1
COLLISION_ENERGY=0.0
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57.9923 4400.0
64.9062 2900.0
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85.0028 2200000.0
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129.2187 3000.0
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193.0853 5200.0
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PEPMASS=84.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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58.7512 18000.0
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68.0001 21000.0
75.8734 20000.0
85.0028 6200000.0
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PEPMASS=84.9956
CHARGE=-1
COLLISION_ENERGY=0.0
57.9922 360000.0
63.6942 20000.0
67.9999 29000.0
85.0029 7300000.0
96.8889 33000.0
END IONS
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PEPMASS=133.0129
CHARGE=-1
COLLISION_ENERGY=0.0
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82.1801 2100.0
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 380000.0
57.9952 37000.0
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PEPMASS=85.0057
CHARGE=-1
COLLISION_ENERGY=0.0
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55.6428 27000.0
57.992 500000.0
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85.0028 9500000.0
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PEPMASS=193.0049
CHARGE=-1
COLLISION_ENERGY=0.0
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61.5179 2400.0
67.8655 2100.0
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PEPMASS=84.9978
CHARGE=-1
COLLISION_ENERGY=0.0
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60.48 20000.0
64.6548 22000.0
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85.0028 6200000.0
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PEPMASS=103.0131
CHARGE=-1
COLLISION_ENERGY=0.0
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76.0053 12000.0
77.5921 2800.0
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96.8894 3600.0
103.0159 27000.0
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117.2189 2300.0
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PEPMASS=84.9955
CHARGE=-1
COLLISION_ENERGY=0.0
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61.9312 31000.0
71.9501 27000.0
85.0028 7000000.0
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PEPMASS=192.9978
CHARGE=-1
COLLISION_ENERGY=0.0
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78.8151 2700.0
83.6662 2300.0
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126.3684 2300.0
167.0915 2300.0
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199.4471 2200.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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68.6149 2300.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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53.667 3600.0
54.9136 3200.0
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PEPMASS=211.0079
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=85.0059
CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
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67.3344 2000.0
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END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=84.9962
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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212.1298 2500.0
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PEPMASS=84.9978
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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104.0242 8500.0
END IONS
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PEPMASS=193.0047
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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85.0028 8700000.0
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PEPMASS=104.0295
CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=84.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=193.0049
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=169.9799
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=84.9982
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 390000.0
68.0 29000.0
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85.0027 7400000.0
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END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=96.9609
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=193.0052
CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=-1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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PEPMASS=191.0196
CHARGE=-1
COLLISION_ENERGY=0.0
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103.7987 2400.0
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CHARGE=-1
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66.7279 2300.0
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PEPMASS=96.9674
CHARGE=-1
COLLISION_ENERGY=0.0
50.6822 2300.0
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63.2302 2200.0
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PEPMASS=135.0278
CHARGE=-1
COLLISION_ENERGY=0.0
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59.0125 13000.0
59.6961 2500.0
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143.6833 2600.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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58.2151 2100.0
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PEPMASS=115.0017
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=192.0213
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=133.0131
CHARGE=-1
COLLISION_ENERGY=0.0
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71.0124 2500000.0
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133.0127 840000.0
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PEPMASS=146.0442
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=191.0195
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=116.0331
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=255.026
CHARGE=-1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=160.8414
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=205.0345
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=164.8354
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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191.0553 10000.0
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CHARGE=-1
COLLISION_ENERGY=0.0
53.7395 2000.0
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61.9868 2500.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=146.0447
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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267.1128 3300.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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84.9922 13000.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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85.0028 8400000.0
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END IONS
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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
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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
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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
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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
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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
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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
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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
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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
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98.4325 22000.0
101.5749 24000.0
END IONS
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PEPMASS=211.0077
CHARGE=-1
COLLISION_ENERGY=0.0
50.6413 2200.0
56.2352 2300.0
59.0125 7800.0
67.0363 2500.0
77.6188 2300.0
85.0028 170000.0
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96.8893 3000.0
103.0134 5500.0
112.9971 2100.0
139.8961 4100.0
186.7499 2300.0
221.8326 2300.0
END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
57.9919 6300.0
71.9815 3700.0
84.9922 16000.0
84.9943 12000.0
85.0028 2300000.0
85.0113 14000.0
85.0134 16000.0
96.8885 7100.0
193.0859 11000.0
209.8744 2800.0
END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
51.3589 24000.0
51.5129 29000.0
57.9919 310000.0
67.2474 24000.0
85.0028 6900000.0
96.8891 44000.0
END IONS
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PEPMASS=134.863
CHARGE=-1
COLLISION_ENERGY=0.0
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
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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
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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
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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
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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
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PEPMASS=245.0251
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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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
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85.0029 2200000.0
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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
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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
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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
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99.3602 33000.0
END IONS
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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
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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
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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
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102.2823 4600.0
104.0237 11000.0
112.7509 4300.0
END IONS
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PEPMASS=85.0058
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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96.8908 27000.0
END IONS
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
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52.6472 1800.0
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68.7433 2100.0
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76.0048 14000.0
92.7215 2100.0
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END IONS
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PEPMASS=104.0272
CHARGE=-1
COLLISION_ENERGY=0.0
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54.7731 3400.0
57.0428 3500.0
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87.6803 3200.0
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124.6241 4100.0
END IONS
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PEPMASS=133.0123
CHARGE=-1
COLLISION_ENERGY=0.0
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56.9866 2100.0
65.9568 2500.0
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89.0233 5500.0
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117.1747 2500.0
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152.5782 2200.0
END IONS
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PEPMASS=195.0494
CHARGE=-1
COLLISION_ENERGY=0.0
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57.0333 2900.0
59.0123 17000.0
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85.0028 4400.0
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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83.924 23000.0
84.9891 29000.0
85.0028 8300000.0
END IONS
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PEPMASS=104.0295
CHARGE=-1
COLLISION_ENERGY=0.0
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96.8879 6700.0
97.2195 4000.0
104.0241 8300.0
106.3116 4100.0
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121.7576 3500.0
124.5874 3700.0
END IONS
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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65.483 2600.0
67.0616 2100.0
78.6862 2500.0
85.0028 1300000.0
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96.892 2400.0
110.3769 2600.0
123.0406 2600.0
129.3816 2900.0
193.0864 7400.0
END IONS
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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
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PEPMASS=245.0419
CHARGE=-1
COLLISION_ENERGY=0.0
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61.9193 2600.0
62.9628 130000.0
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80.9731 330000.0
96.8917 3300.0
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227.0331 4600.0
245.0426 170000.0
END IONS
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PEPMASS=133.0121
CHARGE=-1
COLLISION_ENERGY=0.0
61.7757 1900.0
61.8632 1800.0
63.0955 2000.0
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71.0124 46000.0
72.9919 8000.0
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89.023 7900.0
96.887 2900.0
115.0022 78000.0
117.3864 2000.0
132.8664 53000.0
133.0127 19000.0
END IONS
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PEPMASS=173.1017
CHARGE=-1
COLLISION_ENERGY=0.0
65.4455 2000.0
67.4874 1900.0
83.9553 2000.0
96.8884 4800.0
114.0541 3700.0
131.0809 400000.0
146.0346 2600.0
154.9459 25000.0
156.0767 13000.0
161.1593 2400.0
163.2807 2200.0
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173.1028 33000.0
183.5555 2600.0
END IONS
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PEPMASS=84.9976
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
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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
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78.0565 2600.0
84.9921 14000.0
84.9943 14000.0
85.0028 2000000.0
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85.0134 16000.0
86.7258 2500.0
90.932 4100.0
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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
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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
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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
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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
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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
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85.0134 10000.0
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96.8891 4100.0
115.0725 2600.0
118.317 2500.0
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145.1192 2500.0
165.237 2300.0
193.0866 11000.0
END IONS
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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
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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
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139.8961 4300.0
156.2488 2100.0
END IONS
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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
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103.8501 23000.0
END IONS
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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
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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
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PEPMASS=103.013
CHARGE=-1
COLLISION_ENERGY=0.0
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59.0124 130000.0
59.2844 1900.0
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95.0928 2200.0
96.8851 2400.0
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109.3922 2400.0
117.471 1900.0
END IONS
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PEPMASS=84.9999
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 400000.0
58.5947 23000.0
67.9997 33000.0
68.8742 24000.0
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98.8899 31000.0
END IONS
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PEPMASS=193.0051
CHARGE=-1
COLLISION_ENERGY=0.0
54.4138 2800.0
57.9923 4400.0
64.9062 2900.0
68.4454 3000.0
84.9921 14000.0
84.9945 11000.0
85.0028 2200000.0
85.0134 15000.0
96.8907 5000.0
129.2187 3000.0
181.2818 3300.0
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193.0853 5200.0
END IONS
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PEPMASS=84.9977
CHARGE=-1
COLLISION_ENERGY=0.0
57.9921 270000.0
58.7512 18000.0
59.8491 20000.0
68.0001 21000.0
75.8734 20000.0
85.0028 6200000.0
96.8883 34000.0
98.2382 19000.0
101.6446 19000.0
END IONS
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PEPMASS=84.9956
CHARGE=-1
COLLISION_ENERGY=0.0
57.9922 360000.0
63.6942 20000.0
67.9999 29000.0
85.0029 7300000.0
96.8889 33000.0
END IONS
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PEPMASS=133.0129
CHARGE=-1
COLLISION_ENERGY=0.0
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59.5071 2200.0
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64.0553 2100.0
71.0124 130000.0
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82.1801 2100.0
87.0071 3000.0
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89.0229 13000.0
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END IONS
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PEPMASS=85.0
CHARGE=-1
COLLISION_ENERGY=0.0
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57.992 380000.0
57.9952 37000.0
65.3603 25000.0
67.6942 24000.0
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84.992 69000.0
85.0028 8100000.0
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87.3848 23000.0
96.8871 30000.0
END IONS
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PEPMASS=85.0057
CHARGE=-1
COLLISION_ENERGY=0.0
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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
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96.8876 38000.0
END IONS
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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
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=192.9978
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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67.3344 2000.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=192.9977
CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=84.9978
CHARGE=-1
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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PEPMASS=104.0295
CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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CHARGE=-1
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CHARGE=-1
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COLLISION_ENERGY=0.0
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CHARGE=-1
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COLLISION_ENERGY=0.0
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CHARGE=-1
COLLISION_ENERGY=0.0
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nf_output/clustering/specs_ms.mgf 0000644 0000000 0000000 00001437765 14652135336 016324 0 ustar root root BEGIN IONS
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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
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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
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167.0534 2.4E3
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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
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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
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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
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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
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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
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97.0508 2.9E3
97.0573 6.8E4
98.0605 3.0E3
98.9966 6.3E3
99.9171 1.1E4
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99.9831 2.4E3
102.9202 3.4E3
102.9910 5.0E3
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123.0712 3.1E4
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141.1169 2.4E3
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143.0963 1.1E4
143.8867 4.8E3
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146.9942 1.0E4
158.8804 3.1E3
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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
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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
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113.1334 2.2E3
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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
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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
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128.9382 1.0E4
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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
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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
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SCANS=44
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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
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SCANS=45
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CHARGE=1-
MSLEVEL=2
57.9921 3.3E5
59.2407 2.5E4
60.0019 2.1E4
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72.3791 2.1E4
85.0028 7.8E6
85.0135 4.9E4
94.8832 2.3E4
96.8884 3.3E4
END IONS
BEGIN IONS
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MSLEVEL=2
51.2416 3.8E3
57.8762 3.3E3
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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
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60.4333 2.2E3
66.9923 2.2E3
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173.1033 3.9E3
174.0579 2.5E3
174.0705 1.1E4
END IONS
BEGIN IONS
FEATURE_ID=48
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SCANS=48
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CHARGE=1-
MSLEVEL=2
59.0126 2.6E5
64.4589 2.1E3
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76.0050 2.6E4
76.9569 2.2E3
86.3973 2.0E3
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96.8864 1.8E3
103.0162 8.0E4
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111.8217 2.0E3
END IONS
BEGIN IONS
FEATURE_ID=49
PEPMASS=104.0271
SCANS=49
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MSLEVEL=2
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51.5338 7.4E3
60.0156 7.6E3
68.7468 5.9E3
96.8884 7.1E3
104.0243 1.5E4
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END IONS
BEGIN IONS
FEATURE_ID=50
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MSLEVEL=2
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96.8891 1.0E4
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118.3159 4.1E3
END IONS
BEGIN IONS
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MSLEVEL=2
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57.0289 3.2E4
68.9891 3.2E3
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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
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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
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SCANS=53
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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
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MSLEVEL=2
57.1622 2.4E4
57.9921 3.8E5
61.8720 2.4E4
63.5179 2.7E4
68.0000 3.7E4
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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
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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
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MSLEVEL=2
58.6156 2.4E3
64.0181 2.5E3
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99.6943 2.4E3
136.8511 2.5E3
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223.0398 3.3E3
239.0347 1.9E4
266.0216 3.6E4
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267.0295 8.3E5
END IONS
BEGIN IONS
FEATURE_ID=57
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MSLEVEL=2
51.5115 1.8E3
55.2648 2.0E3
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65.1427 2.1E3
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75.8883 1.9E3
79.9999 3.6E3
96.8878 3.4E3
109.9980 9.4E4
110.0346 3.7E3
END IONS
BEGIN IONS
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MSLEVEL=2
57.0333 2.5E3
59.0125 2.0E3
65.0134 5.1E3
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69.0330 3.8E3
71.0124 2.1E4
72.9917 2.8E3
73.0283 1.0E4
77.3095 2.1E3
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96.8860 3.2E3
96.8914 2.9E3
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113.0231 9.9E3
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127.9303 6.2E3
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141.0189 6.6E4
END IONS
BEGIN IONS
FEATURE_ID=59
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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
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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
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120.0274 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=61
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MSLEVEL=2
51.5153 5.1E3
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60.5526 4.3E3
65.9034 4.9E3
86.5764 5.1E3
96.8870 9.2E3
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END IONS
BEGIN IONS
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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
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162.8385 9.3E3
END IONS
BEGIN IONS
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311.0567 1.2E4
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END IONS
BEGIN IONS
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MSLEVEL=2
51.5444 2.9E3
57.0289 1.9E4
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60.4910 2.7E3
66.9925 2.5E3
78.8886 2.3E3
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104.9865 2.6E4
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111.0562 3.2E3
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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
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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
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SCANS=66
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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
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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
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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
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SCANS=71
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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
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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
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SCANS=73
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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
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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
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SCANS=75
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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
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106.9420 2.4E3
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113.2030 2.7E3
115.9422 3.5E4
123.9444 2.7E4
124.9427 3.0E3
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140.9379 3.3E3
147.9570 3.3E3
148.9406 5.3E3
150.1266 2.4E3
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181.2829 2.2E3
183.9444 1.1E4
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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
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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
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SCANS=77
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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
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SCANS=78
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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
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SCANS=79
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CHARGE=1-
MSLEVEL=2
52.1036 2.8E3
53.0921 2.3E3
68.0249 2.7E3
71.9539 3.6E3
91.4763 2.4E3
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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
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SCANS=80
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CHARGE=1-
MSLEVEL=2
50.4415 4.9E3
51.1074 4.4E3
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115.0932 4.0E3
115.1304 4.3E3
123.8903 5.0E3
124.2666 4.4E3
END IONS
BEGIN IONS
FEATURE_ID=81
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SCANS=81
RTINSECONDS=61.077
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MSLEVEL=2
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57.9921 4.0E5
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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
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MSLEVEL=2
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85.0029 8.5E6
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96.8890 3.6E4
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
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58.6055 1.1E4
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END IONS
BEGIN IONS
FEATURE_ID=84
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MSLEVEL=2
53.1663 2.1E3
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136.4955 2.2E3
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END IONS
BEGIN IONS
FEATURE_ID=85
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MSLEVEL=2
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124.1151 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=86
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=87
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MSLEVEL=2
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85.4851 4.6E3
96.2931 4.0E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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71.2141 2.5E3
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96.8890 2.4E3
103.0162 9.5E4
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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MSLEVEL=2
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85.9421 1.9E3
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END IONS
BEGIN IONS
FEATURE_ID=91
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MSLEVEL=2
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59.0124 1.4E5
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62.4401 2.0E3
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76.0048 3.4E4
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96.8892 4.2E3
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END IONS
BEGIN IONS
FEATURE_ID=92
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MSLEVEL=2
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51.5250 2.1E3
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END IONS
BEGIN IONS
FEATURE_ID=93
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MSLEVEL=2
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85.0028 9.8E6
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END IONS
BEGIN IONS
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MSLEVEL=2
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57.5040 1.9E3
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68.0481 2.1E3
90.0077 3.8E3
96.8893 2.5E3
114.0081 1.3E5
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151.9639 2.3E3
END IONS
BEGIN IONS
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MSLEVEL=2
57.9922 5.5E5
61.3897 2.6E4
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71.1131 2.8E4
85.0029 1.1E7
96.8904 5.3E4
END IONS
BEGIN IONS
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MSLEVEL=2
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61.7697 2.0E3
67.2486 2.1E3
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102.0083 1.8E4
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117.6023 2.1E3
117.6225 2.4E3
END IONS
BEGIN IONS
FEATURE_ID=97
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MSLEVEL=2
57.9920 3.8E5
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85.0028 8.0E6
96.8873 3.1E4
END IONS
BEGIN IONS
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MSLEVEL=2
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71.0122 1.7E4
72.9915 2.3E3
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132.8732 2.2E3
167.2263 2.4E3
173.2075 2.3E3
173.9373 2.2E3
191.2695 2.5E3
END IONS
BEGIN IONS
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104.0241 1.9E4
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113.0310 6.8E3
END IONS
BEGIN IONS
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MSLEVEL=2
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57.0332 1.6E4
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96.8878 3.2E3
97.2438 2.1E3
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107.4835 2.4E3
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129.0177 2.2E4
180.0937 2.6E3
205.7433 2.2E3
END IONS
BEGIN IONS
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60.5136 2.3E3
63.0570 2.1E3
83.1184 1.9E3
96.8904 3.3E3
102.0081 3.1E4
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112.0829 2.4E3
END IONS
BEGIN IONS
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57.8550 2.6E4
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68.0001 3.1E4
85.0029 8.3E6
85.0135 3.6E4
96.8880 2.9E4
END IONS
BEGIN IONS
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MSLEVEL=2
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51.1074 4.4E3
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96.8871 5.1E3
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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
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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
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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
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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
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110.6334 2.0E3
END IONS
BEGIN IONS
FEATURE_ID=107
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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
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53.0801 4.7E3
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54.4717 4.2E3
55.2930 4.3E3
55.3097 4.4E3
56.5450 5.1E3
57.8027 4.3E3
58.1823 4.2E3
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60.0157 4.1E3
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67.3530 4.3E3
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72.5683 4.5E3
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86.3588 4.5E3
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93.4646 4.2E3
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104.0240 2.0E4
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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
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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
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CHARGE=1-
MSLEVEL=2
51.0474 2.5E4
54.5434 2.8E4
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57.9921 4.6E5
66.6617 3.4E4
68.0002 4.9E4
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84.9939 3.6E4
85.0028 1.0E7
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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
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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
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SCANS=127
RTINSECONDS=79.988
CHARGE=1-
MSLEVEL=2
51.0507 1.6E3
51.3953 1.9E3
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53.3908 1.4E3
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118.3634 1.6E3
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124.8316 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=128
PEPMASS=102.0119
SCANS=128
RTINSECONDS=80.329
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MSLEVEL=2
52.9061 2.3E3
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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
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SCANS=129
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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
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MSLEVEL=2
50.2694 2.0E3
52.4836 2.0E3
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54.3067 2.0E3
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71.0123 9.1E3
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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
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MSLEVEL=2
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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
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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
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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
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SCANS=134
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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
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SCANS=135
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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
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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
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RTINSECONDS=82.995
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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
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MSLEVEL=2
51.5393 2.1E3
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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
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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
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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
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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
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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
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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
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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
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96.8881 1.7E4
104.0244 3.6E4
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119.7358 1.1E4
END IONS
BEGIN IONS
FEATURE_ID=145
PEPMASS=310.9464
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CHARGE=1-
MSLEVEL=2
51.5890 2.9E3
62.1002 2.2E3
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64.1049 2.3E3
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72.1146 2.7E3
83.9949 1.5E4
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89.4464 2.3E3
96.8868 2.8E3
102.9349 3.7E3
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104.9266 7.6E3
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113.9272 4.1E3
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128.9376 8.3E3
136.0475 2.7E3
140.9386 4.2E3
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173.9350 6.8E3
175.9517 2.5E3
183.9448 8.0E3
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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
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SCANS=146
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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
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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
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SCANS=148
RTINSECONDS=89.458
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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
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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
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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
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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
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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
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SCANS=158
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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
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SCANS=159
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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
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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
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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
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100.0105 1.3E4
116.3669 2.1E3
118.0031 2.0E4
118.0210 2.2E4
118.0399 4.0E3
END IONS
BEGIN IONS
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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
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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
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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
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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
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96.8881 1.7E4
104.0244 3.6E4
104.2031 1.0E4
119.7358 1.1E4
END IONS
BEGIN IONS
FEATURE_ID=166
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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
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RTINSECONDS=97.052
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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
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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
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SCANS=169
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MSLEVEL=2
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52.4529 1.7E3
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123.1630 2.0E3
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124.6535 1.5E3
124.8322 1.6E3
END IONS
BEGIN IONS
FEATURE_ID=170
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SCANS=170
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MSLEVEL=2
50.5569 6.8E3
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68.0316 6.7E3
96.8889 1.5E4
104.0245 1.7E4
END IONS
BEGIN IONS
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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
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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
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MSLEVEL=2
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68.0003 3.8E4
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84.9920 8.3E4
85.0029 1.2E7
96.0590 3.4E4
END IONS
BEGIN IONS
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MSLEVEL=2
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61.6957 2.3E3
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72.7627 2.4E3
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83.9948 1.8E4
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173.4757 2.4E3
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206.6479 2.2E3
211.7526 2.4E3
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255.9421 2.4E3
259.9477 2.9E4
293.8761 2.4E3
310.9455 5.5E3
311.1693 4.6E4
END IONS
BEGIN IONS
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MSLEVEL=2
67.3763 9.6E3
70.5778 8.9E3
72.5443 9.1E3
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86.2147 9.2E3
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96.8897 1.4E4
102.6463 9.3E3
104.0241 1.9E4
105.0620 1.0E4
109.4545 9.0E3
END IONS
BEGIN IONS
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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
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104.3311 2.3E4
END IONS
BEGIN IONS
FEATURE_ID=177
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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
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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
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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
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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
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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
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MSLEVEL=2
50.1064 2.0E3
50.8294 2.0E3
51.2274 2.1E3
61.3539 2.0E3
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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
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MSLEVEL=2
57.6401 2.2E3
59.0126 2.7E5
60.8790 2.5E3
63.2483 2.2E3
66.8825 2.2E3
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98.3787 2.3E3
103.0062 2.7E3
103.0161 9.7E4
103.0244 3.1E3
103.0273 2.9E3
END IONS
BEGIN IONS
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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
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MSLEVEL=2
55.7765 2.1E3
56.0010 2.2E3
65.9971 1.1E4
105.2837 1.9E3
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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
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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
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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
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MSLEVEL=2
57.9921 5.3E5
62.2817 3.6E4
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68.0002 4.3E4
85.0029 1.0E7
95.9395 3.1E4
96.8886 5.3E4
103.6490 3.6E4
END IONS
BEGIN IONS
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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
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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
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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
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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
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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
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SCANS=227
RTINSECONDS=118.82
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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
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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
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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
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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
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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
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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
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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
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SCANS=248
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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
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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
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SCANS=250
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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
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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
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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
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91.0540 1.2E4
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114.0181 1.8E4
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167.6002 2.3E3
194.0714 2.5E3
206.0813 8.8E3
232.0602 2.5E3
250.0718 6.3E4
END IONS
BEGIN IONS
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SCANS=253
RTINSECONDS=130.452
CHARGE=1-
MSLEVEL=2
53.2378 3.0E3
59.0125 3.8E3
70.0281 2.9E3
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71.0122 3.1E4
75.1951 2.8E3
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88.0389 5.9E5
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184.0409 3.6E3
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205.7208 3.3E3
206.0812 2.2E4
232.0593 6.2E3
238.8826 3.1E3
250.0711 1.8E5
END IONS
BEGIN IONS
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SCANS=254
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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
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103.3320 2.5E4
END IONS
BEGIN IONS
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RTINSECONDS=131.891
CHARGE=1-
MSLEVEL=2
58.6724 7.3E3
78.5656 7.4E3
104.0240 1.7E4
END IONS
BEGIN IONS
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MSLEVEL=2
53.6363 9.9E3
63.6210 8.0E3
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96.8890 1.9E4
104.0122 9.7E3
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113.8771 8.8E3
END IONS
BEGIN IONS
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MSLEVEL=2
51.5397 4.1E4
57.9920 5.2E5
67.9999 3.8E4
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81.1969 3.1E4
84.9921 5.7E4
85.0027 1.1E7
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END IONS
BEGIN IONS
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MSLEVEL=2
50.6031 2.1E3
51.5435 2.5E3
59.0124 1.3E5
61.4834 2.0E3
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113.0595 2.4E3
115.0017 2.4E4
133.0123 3.6E3
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175.0591 3.5E3
END IONS
BEGIN IONS
FEATURE_ID=259
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MSLEVEL=2
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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
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MSLEVEL=2
51.5209 3.1E4
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56.9995 3.0E4
57.9920 4.5E5
71.3828 2.8E4
85.0028 9.9E6
96.8892 7.5E4
END IONS
BEGIN IONS
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MSLEVEL=2
50.3530 9.5E3
51.4305 9.4E3
51.5122 1.2E4
55.6509 1.0E4
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71.8110 1.3E4
96.0097 1.0E4
96.8871 1.1E4
100.3272 9.7E3
104.0240 2.2E4
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121.1650 1.2E4
END IONS
BEGIN IONS
FEATURE_ID=262
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CHARGE=1-
MSLEVEL=2
50.4326 2.3E3
96.8631 2.1E3
96.8872 3.8E3
102.0081 2.9E4
END IONS
BEGIN IONS
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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
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MSLEVEL=2
54.4373 2.1E3
54.5262 2.0E3
65.0129 1.1E4
67.5835 2.2E3
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80.1091 1.9E3
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96.8895 2.7E3
111.4546 2.2E3
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132.3028 2.1E3
140.9375 2.5E3
141.0190 7.5E4
153.6168 2.4E3
END IONS
BEGIN IONS
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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
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104.0236 1.4E4
END IONS
BEGIN IONS
FEATURE_ID=266
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MSLEVEL=2
51.5360 2.1E3
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59.8560 2.2E3
60.4827 2.3E3
62.3253 2.5E3
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79.4615 1.9E3
80.1262 2.4E3
80.5562 2.0E3
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96.8874 3.2E3
102.0081 1.3E4
105.5074 1.9E3
106.7131 1.9E3
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111.0403 2.5E3
END IONS
BEGIN IONS
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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111.0167 4.3E3
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129.0085 2.1E3
129.0166 1.1E4
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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
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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
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171.5030 2.3E3
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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
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SCANS=281
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CHARGE=1-
MSLEVEL=2
69.7483 1.9E3
74.3018 1.9E3
77.2813 2.6E3
78.5592 1.7E3
80.3264 2.0E3
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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
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SCANS=282
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CHARGE=1-
MSLEVEL=2
50.7564 2.3E3
53.3157 1.9E3
55.0175 4.3E3
58.0125 2.0E3
60.8969 2.2E3
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73.0279 1.8E5
89.0129 4.0E3
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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
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CHARGE=1-
MSLEVEL=2
51.5184 3.1E3
54.4328 2.5E3
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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
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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
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CHARGE=1-
MSLEVEL=2
58.7857 7.7E3
61.7279 7.5E3
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96.8896 2.3E4
99.0980 8.1E3
104.0244 2.1E4
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119.6205 7.4E3
END IONS
BEGIN IONS
FEATURE_ID=286
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CHARGE=1-
MSLEVEL=2
58.9465 1.2E4
78.0086 9.3E3
81.3282 9.0E3
83.3559 1.0E4
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104.0237 1.7E4
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111.0671 1.0E4
END IONS
BEGIN IONS
FEATURE_ID=287
PEPMASS=163.0240
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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
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114.8230 2.0E3
116.0323 2.5E3
118.9914 8.5E3
END IONS
BEGIN IONS
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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
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CHARGE=1-
MSLEVEL=2
57.9920 6.1E5
60.4796 2.9E4
64.7556 2.9E4
68.0002 5.1E4
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85.0028 1.3E7
85.0135 7.3E4
96.8875 5.0E4
END IONS
BEGIN IONS
FEATURE_ID=290
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MSLEVEL=2
57.9920 5.2E5
65.0790 3.3E4
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84.5302 3.2E4
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91.3351 3.8E4
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96.8921 3.3E4
END IONS
BEGIN IONS
FEATURE_ID=291
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57.0183 1.9E3
65.0129 3.7E3
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101.1408 2.2E3
109.9577 2.4E3
121.0278 2.6E5
137.9930 3.8E3
165.0175 3.0E4
END IONS
BEGIN IONS
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MSLEVEL=2
65.4404 2.1E3
96.8879 3.0E3
102.0081 3.1E4
103.2731 1.9E3
END IONS
BEGIN IONS
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MSLEVEL=2
50.0939 2.4E4
57.9921 3.2E5
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68.0003 2.0E4
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85.0028 7.0E6
93.3420 2.0E4
97.3548 1.8E4
END IONS
BEGIN IONS
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85.0027 1.2E7
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END IONS
BEGIN IONS
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59.0126 2.9E5
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END IONS
BEGIN IONS
FEATURE_ID=296
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85.0028 1.2E7
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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204.9772 1.2E4
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205.0165 6.5E3
END IONS
BEGIN IONS
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66.2432 2.1E3
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80.6917 2.2E3
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106.0321 3.5E3
END IONS
BEGIN IONS
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85.0028 1.1E7
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END IONS
BEGIN IONS
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51.5414 2.4E3
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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119.0956 2.3E3
END IONS
BEGIN IONS
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MSLEVEL=2
58.9895 2.0E3
68.0990 2.1E3
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84.5670 1.9E3
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96.8858 2.3E3
96.8912 3.3E3
END IONS
BEGIN IONS
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51.5213 3.9E4
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68.0001 4.6E4
71.9599 3.7E4
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85.0028 1.0E7
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91.5251 3.6E4
END IONS
BEGIN IONS
FEATURE_ID=312
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68.9943 3.7E5
74.4179 2.2E3
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85.9978 3.9E3
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112.9839 1.4E4
112.9976 1.1E4
118.5483 2.1E3
END IONS
BEGIN IONS
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51.5194 6.1E3
59.3918 5.9E3
67.5668 5.5E3
70.9853 6.4E3
72.5998 5.5E3
89.3841 7.6E3
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104.0240 1.4E4
124.3754 6.0E3
END IONS
BEGIN IONS
FEATURE_ID=314
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MSLEVEL=2
73.0226 3.4E3
73.2990 2.8E3
79.3969 2.3E3
82.6356 2.9E3
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161.0221 4.2E3
161.0496 4.4E4
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162.0501 3.6E3
END IONS
BEGIN IONS
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MSLEVEL=2
56.7377 1.9E3
60.6004 2.1E3
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180.9764 3.0E4
180.9978 6.9E3
END IONS
BEGIN IONS
FEATURE_ID=316
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CHARGE=1-
MSLEVEL=2
51.5334 2.5E3
54.7945 2.2E3
56.1479 2.2E3
59.0125 1.7E4
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125.7972 2.4E3
162.8376 1.4E4
163.0585 4.5E3
178.3399 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=317
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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
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CHARGE=1-
MSLEVEL=2
53.4034 2.1E3
56.9863 2.4E3
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90.0658 1.9E3
95.3869 2.2E3
96.1695 2.6E3
136.9087 2.9E3
191.6608 2.3E3
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
51.4203 2.7E3
77.0347 2.9E3
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243.9520 5.4E3
259.9472 3.4E4
272.4962 2.5E3
310.9490 8.7E3
311.1685 6.1E4
END IONS
BEGIN IONS
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MSLEVEL=2
57.0333 3.3E5
57.0373 4.5E3
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287.0046 3.0E3
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369.1196 1.4E4
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431.1203 5.2E4
END IONS
BEGIN IONS
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MSLEVEL=2
146.9369 5.9E3
152.8350 2.1E3
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279.1904 2.3E3
350.6375 2.2E3
690.0105 2.4E3
988.0670 2.8E3
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END IONS
BEGIN IONS
FEATURE_ID=322
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85.0029 1.1E7
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END IONS
BEGIN IONS
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MSLEVEL=2
54.0675 2.2E3
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=332
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END IONS
BEGIN IONS
FEATURE_ID=333
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END IONS
BEGIN IONS
FEATURE_ID=334
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END IONS
BEGIN IONS
FEATURE_ID=335
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96.8885 7.3E4
END IONS
BEGIN IONS
FEATURE_ID=336
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END IONS
BEGIN IONS
FEATURE_ID=337
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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57.9921 8.5E3
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END IONS
BEGIN IONS
FEATURE_ID=341
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62.7278 8.1E3
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END IONS
BEGIN IONS
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310.5052 4.2E3
439.3214 8.7E4
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663.3792 1.2E5
END IONS
BEGIN IONS
FEATURE_ID=343
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MSLEVEL=2
58.4929 1.7E3
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65.9970 4.8E3
68.0002 2.2E3
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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
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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
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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
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SCANS=348
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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
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SCANS=349
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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
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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
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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
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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
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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
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MSLEVEL=2
51.5356 4.5E3
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56.6568 5.1E3
59.7319 4.4E3
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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
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MSLEVEL=2
70.9196 2.2E3
96.8886 8.1E3
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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
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CHARGE=1-
MSLEVEL=2
50.5613 7.9E3
61.5117 7.1E3
79.6810 8.5E3
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91.0663 8.6E3
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96.8870 1.4E4
104.0242 2.5E4
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122.7214 7.9E3
124.1581 8.8E3
END IONS
BEGIN IONS
FEATURE_ID=357
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MSLEVEL=2
51.5120 2.2E3
55.1070 1.9E3
59.0081 3.0E3
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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
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MSLEVEL=2
59.0124 4.2E4
60.4582 2.2E3
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78.6852 2.2E3
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85.0276 3.7E3
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119.0328 1.4E4
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293.1245 3.5E5
END IONS
BEGIN IONS
FEATURE_ID=359
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MSLEVEL=2
53.9303 2.6E3
55.4319 2.9E3
62.9580 1.2E4
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138.6804 3.2E3
242.9657 3.2E3
355.1452 3.0E3
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449.1178 6.0E4
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END IONS
BEGIN IONS
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68.2954 2.4E3
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106.2634 2.5E3
111.1384 2.0E3
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114.6015 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=361
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=363
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85.0028 1.1E7
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END IONS
BEGIN IONS
FEATURE_ID=364
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=367
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END IONS
BEGIN IONS
FEATURE_ID=368
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END IONS
BEGIN IONS
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85.0028 1.1E7
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END IONS
BEGIN IONS
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85.0028 1.0E7
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END IONS
BEGIN IONS
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96.8892 3.3E3
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END IONS
BEGIN IONS
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60.1435 2.4E3
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200.0559 5.0E3
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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57.0333 1.1E4
58.9578 2.7E3
73.2918 2.4E3
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END IONS
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118.1513 1.5E3
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119.4207 1.5E3
119.9332 1.6E3
123.7550 1.8E3
END IONS
BEGIN IONS
FEATURE_ID=378
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51.5293 2.8E3
58.0283 1.6E4
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201.1021 1.5E4
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233.2984 2.8E3
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245.0920 9.9E4
END IONS
BEGIN IONS
FEATURE_ID=379
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51.5216 2.8E4
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57.9920 4.8E5
68.0002 6.1E4
85.0029 1.0E7
85.0132 6.1E4
END IONS
BEGIN IONS
FEATURE_ID=380
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53.7491 2.9E3
70.0285 1.0E4
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80.0116 3.0E3
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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
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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
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116.0340 1.5E4
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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
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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
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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
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SCANS=384
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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
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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
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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
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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
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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
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87.9238 8.2E3
96.8900 2.8E3
99.0437 2.3E4
99.9244 2.9E3
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125.0226 3.5E4
126.0260 2.0E5
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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
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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
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MSLEVEL=2
67.0175 1.1E4
71.0486 1.2E4
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94.6942 7.3E3
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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
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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
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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
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50.4585 7.8E3
64.0061 1.1E4
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65.6690 8.3E3
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71.3312 1.0E4
96.8879 1.5E4
102.9389 1.1E4
104.0238 2.9E4
END IONS
BEGIN IONS
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51.5112 3.4E3
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61.2646 2.4E3
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311.1692 3.9E4
END IONS
BEGIN IONS
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84.9922 5.5E4
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96.8890 4.2E4
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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63.4449 2.3E3
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199.0832 2.4E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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96.8872 2.4E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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MSLEVEL=2
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104.2125 3.5E4
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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57.9614 2.0E3
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END IONS
BEGIN IONS
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209.6073 2.6E3
END IONS
BEGIN IONS
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68.0000 3.5E4
82.5611 3.2E4
85.0029 9.6E6
96.8900 5.5E4
END IONS
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124.6590 6.8E3
END IONS
BEGIN IONS
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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
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50.8898 2.6E3
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57.1303 2.2E3
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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
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57.9922 3.9E5
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68.0000 3.5E4
82.5611 3.2E4
85.0029 9.6E6
96.8900 5.5E4
END IONS
BEGIN IONS
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50.5674 7.2E3
59.8851 8.8E3
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73.0458 8.7E3
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88.4384 1.0E4
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96.8855 1.5E4
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END IONS
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104.0242 1.3E4
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105.6824 8.4E3
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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
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MSLEVEL=2
50.2391 3.7E4
50.8693 3.9E4
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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
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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
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60.1730 1.7E3
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62.1590 1.4E3
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63.6900 1.6E3
64.1786 1.8E3
64.7211 1.4E3
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66.1732 1.4E3
66.2421 1.5E3
66.4867 1.5E3
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84.6883 2.0E3
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100.1303 1.6E3
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114.4432 1.8E3
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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
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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
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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
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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
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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
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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
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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
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RTINSECONDS=194.626
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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
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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
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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
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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
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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
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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
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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
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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
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55.0980 4.8E3
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59.0588 5.8E3
60.0157 5.5E3
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62.1446 4.5E3
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63.4951 4.6E3
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66.7667 4.5E3
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69.2115 4.9E3
69.6235 4.5E3
72.6542 4.9E3
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78.3395 4.6E3
78.4718 4.9E3
78.5901 4.5E3
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80.0544 4.7E3
80.3233 4.7E3
82.1821 4.6E3
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85.4680 4.5E3
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85.9330 4.3E3
87.2758 5.0E3
87.8938 4.4E3
87.9517 4.3E3
88.5402 4.7E3
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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
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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
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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
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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
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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
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137.0233 2.1E4
149.0229 3.6E3
153.0180 6.2E3
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164.0102 5.5E3
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167.0341 8.1E3
179.0343 4.1E3
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225.0558 4.9E3
243.0654 3.9E4
248.2603 2.4E3
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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
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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
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CHARGE=1-
MSLEVEL=2
57.9920 5.9E5
68.0001 3.6E4
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77.3047 3.6E4
84.9921 6.0E4
85.0028 1.0E7
90.0676 3.1E4
96.8913 3.9E4
END IONS
BEGIN IONS
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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
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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
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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
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85.0279 1.2E5
85.0339 4.4E3
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87.0139 4.6E3
87.0147 3.0E3
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129.0175 3.1E4
129.2577 2.4E3
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141.2735 2.1E3
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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
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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
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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
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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
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111.0433 1.0E4
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121.0275 7.6E3
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155.0332 6.3E3
157.0491 5.5E3
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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
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CHARGE=1-
MSLEVEL=2
57.0332 2.5E4
58.0043 1.6E4
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155.0331 1.7E5
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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
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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
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MSLEVEL=2
51.5286 2.4E3
51.7821 2.1E3
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58.0046 3.2E3
66.2272 2.0E3
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156.0371 1.9E4
158.0521 1.2E4
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176.0634 3.7E5
END IONS
BEGIN IONS
FEATURE_ID=466
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MSLEVEL=2
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57.4505 2.1E3
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173.0085 4.8E3
191.0190 3.9E4
END IONS
BEGIN IONS
FEATURE_ID=467
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73.0278 4.1E3
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102.1344 2.3E3
173.0441 2.5E3
175.0598 8.2E4
213.5550 2.0E3
END IONS
BEGIN IONS
FEATURE_ID=468
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MSLEVEL=2
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72.9915 1.1E4
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END IONS
BEGIN IONS
FEATURE_ID=469
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75.0332 2.3E3
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=472
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END IONS
BEGIN IONS
FEATURE_ID=473
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END IONS
BEGIN IONS
FEATURE_ID=474
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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59.0066 9.4E3
59.0127 1.8E6
67.6576 4.4E3
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END IONS
BEGIN IONS
FEATURE_ID=477
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57.9920 4.7E5
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END IONS
BEGIN IONS
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88.2050 6.8E3
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104.0238 2.7E4
END IONS
BEGIN IONS
FEATURE_ID=479
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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
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MSLEVEL=2
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59.0127 3.3E6
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76.0053 3.5E4
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96.8889 1.5E4
102.4986 8.8E3
103.0022 1.5E5
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END IONS
BEGIN IONS
FEATURE_ID=481
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80.5727 2.5E3
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103.0020 1.7E5
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182.4902 2.4E3
285.5255 2.6E3
END IONS
BEGIN IONS
FEATURE_ID=482
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57.0333 2.2E4
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67.0172 2.9E3
71.0124 1.6E4
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193.1613 2.5E3
END IONS
BEGIN IONS
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59.0125 3.4E3
60.5219 2.4E3
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68.9968 3.3E3
71.0122 2.3E4
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203.3461 2.5E3
219.0447 2.4E3
226.9944 1.1E4
END IONS
BEGIN IONS
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55.1789 2.2E3
57.0332 4.6E3
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63.7820 1.9E3
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71.0123 8.2E3
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78.4054 2.4E3
83.0122 3.1E3
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166.9442 2.5E3
192.1158 2.6E3
210.1140 2.3E3
END IONS
BEGIN IONS
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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
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59.0124 1.9E5
96.8867 3.7E3
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111.1106 3.1E3
113.6216 2.9E3
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309.9997 3.1E3
316.9180 3.7E3
END IONS
BEGIN IONS
FEATURE_ID=487
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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
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100.1950 2.1E3
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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
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MSLEVEL=2
50.0023 5.2E3
53.0019 3.1E3
53.1181 1.9E3
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57.3488 1.9E3
64.4593 2.1E3
68.6570 1.9E3
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71.0124 8.1E4
96.8874 2.0E3
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99.0076 1.0E4
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106.5927 1.9E3
106.9162 1.9E3
110.2022 1.9E3
END IONS
BEGIN IONS
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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
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96.8860 2.8E3
96.8913 5.1E3
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112.9865 1.7E4
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117.9930 2.0E3
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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
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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
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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
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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
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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
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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
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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
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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
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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
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RTINSECONDS=216.915
CHARGE=1-
MSLEVEL=2
53.1908 5.9E3
59.0127 7.6E3
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60.0159 2.6E4
62.6429 6.5E3
66.8821 5.9E3
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74.5747 6.1E3
94.8171 8.0E3
96.8905 9.8E3
104.0238 2.4E4
END IONS
BEGIN IONS
FEATURE_ID=513
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SCANS=513
RTINSECONDS=217
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MSLEVEL=2
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57.9921 6.2E5
62.9439 3.8E4
65.5216 3.7E4
68.0003 4.2E4
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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
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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
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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
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RTINSECONDS=217.613
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MSLEVEL=2
51.5199 3.5E4
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57.9921 5.7E5
68.0000 5.8E4
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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
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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
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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
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CHARGE=1-
MSLEVEL=2
57.9920 5.5E5
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60.1189 3.2E4
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61.2182 3.1E4
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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
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RTINSECONDS=218.778
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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
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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
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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
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SCANS=522
RTINSECONDS=220.268
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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
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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
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RTINSECONDS=222.355
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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
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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
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134.0353 3.1E3
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136.0515 6.2E3
137.0595 4.7E3
145.8985 2.5E3
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150.0314 4.3E3
151.0385 2.9E4
161.0234 9.8E3
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165.0175 2.5E3
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167.0341 3.2E3
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175.0389 3.8E3
179.0356 3.6E3
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190.0263 4.9E4
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192.0407 2.9E3
193.0492 3.4E3
202.0270 3.9E3
203.0349 4.4E3
204.0455 3.3E3
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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
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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
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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
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RTINSECONDS=224.304
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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
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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
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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
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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
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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
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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
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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
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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
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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
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193.3911 2.4E3
END IONS
BEGIN IONS
FEATURE_ID=555
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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
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RTINSECONDS=236.864
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MSLEVEL=2
56.6902 3.0E4
57.9921 5.0E5
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62.6090 4.0E4
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66.0882 3.5E4
68.0001 4.7E4
85.0028 1.1E7
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93.6459 4.1E4
96.8869 3.8E4
END IONS
BEGIN IONS
FEATURE_ID=557
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RTINSECONDS=236.922
CHARGE=1-
MSLEVEL=2
61.9736 2.0E3
79.9558 5.3E4
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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
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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
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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
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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
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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
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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
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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
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PEPMASS=84.9963
SCANS=564
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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
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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
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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
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193.4232 2.8E3
196.9865 2.5E3
197.8911 1.2E5
198.8890 1.9E5
199.8355 2.5E3
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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
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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
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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
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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
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RTINSECONDS=241.167
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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
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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
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RTINSECONDS=242.394
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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
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RTINSECONDS=242.54
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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
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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
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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
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96.8855 2.5E3
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101.0229 2.8E5
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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
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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
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101.0228 1.9E4
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129.0174 1.1E4
129.0543 1.3E4
137.1846 2.0E3
145.6318 2.3E3
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154.9975 3.8E3
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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
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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
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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
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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
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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
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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
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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
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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
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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
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MSLEVEL=2
57.9920 5.6E5
63.1152 3.4E4
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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
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MSLEVEL=2
59.1026 2.2E3
59.8380 2.1E3
62.1368 2.3E3
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92.2392 2.2E3
96.8882 2.5E3
105.2930 2.2E3
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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
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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
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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
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173.0083 7.3E3
173.0451 2.5E3
184.8145 2.3E3
191.0180 3.9E4
191.0548 7.2E3
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
57.9920 4.5E5
68.0002 5.6E4
85.0029 9.5E6
96.8896 5.2E4
END IONS
BEGIN IONS
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MSLEVEL=2
50.8165 2.9E4
57.5834 3.1E4
57.9919 4.3E5
67.1069 3.0E4
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85.0028 1.1E7
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96.8903 3.9E4
END IONS
BEGIN IONS
FEATURE_ID=590
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MSLEVEL=2
57.9921 5.6E5
62.4555 3.3E4
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75.8768 3.4E4
85.0028 1.0E7
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96.8888 5.2E4
END IONS
BEGIN IONS
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MSLEVEL=2
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78.9953 5.5E3
96.8879 1.1E4
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END IONS
BEGIN IONS
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57.9921 6.0E5
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68.0003 5.8E4
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85.0028 1.3E7
END IONS
BEGIN IONS
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96.8867 1.8E4
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END IONS
BEGIN IONS
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68.0003 5.8E4
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84.9921 9.7E4
85.0028 1.3E7
END IONS
BEGIN IONS
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96.8896 1.1E4
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116.9317 4.0E3
END IONS
BEGIN IONS
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MSLEVEL=2
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96.8889 4.6E4
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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71.0127 9.5E3
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END IONS
BEGIN IONS
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53.8286 2.2E3
61.9870 2.1E5
72.2789 2.3E3
96.8914 3.5E3
100.0958 2.2E3
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169.0359 2.2E3
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END IONS
BEGIN IONS
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77.0082 7.5E3
96.8855 5.9E3
104.0241 1.2E4
END IONS
BEGIN IONS
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84.3484 2.8E4
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96.8861 6.9E4
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END IONS
BEGIN IONS
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126.7654 2.8E3
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END IONS
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67.2787 2.3E3
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165.5335 2.6E3
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316.5934 2.4E3
END IONS
BEGIN IONS
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71.8536 2.0E3
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92.9943 2.5E3
123.4338 2.3E3
165.0578 4.1E4
191.0376 3.0E4
209.0483 3.6E5
END IONS
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71.0128 3.0E3
77.0993 2.7E3
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154.9973 1.1E4
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189.9516 2.9E3
191.0187 1.5E5
191.0538 1.6E4
END IONS
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57.0332 3.3E4
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67.0173 6.7E3
85.0279 2.1E5
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173.0074 1.6E4
191.0189 1.0E5
191.0548 1.8E4
END IONS
BEGIN IONS
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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
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50.1554 2.1E3
58.4488 2.1E3
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68.5892 2.1E3
81.0340 2.1E3
85.0282 2.1E3
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96.8877 3.5E3
97.4188 2.3E3
99.0435 3.1E4
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120.9898 2.6E3
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185.2270 2.3E3
187.0235 3.5E4
189.1957 2.5E3
193.0861 2.2E3
205.0344 4.4E4
END IONS
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51.5090 3.1E3
77.2369 2.1E3
87.0500 2.7E3
96.8850 3.0E3
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132.4861 2.4E3
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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
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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
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213.8858 3.8E4
213.8913 5.7E4
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241.8982 1.8E5
260.7255 3.2E4
END IONS
BEGIN IONS
FEATURE_ID=615
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SCANS=615
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CHARGE=1-
MSLEVEL=2
51.3306 3.5E3
51.5055 4.7E3
53.0151 3.4E3
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103.9186 2.9E5
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104.3087 3.6E3
106.5165 3.3E3
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112.8617 4.0E3
113.2884 3.7E3
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
61.9824 4.3E3
61.9831 7.5E3
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87.9240 8.5E3
96.8890 1.2E4
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119.0592 4.0E3
149.9117 1.1E6
167.9223 9.4E4
195.9050 3.7E4
213.9156 6.3E4
END IONS
BEGIN IONS
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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
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167.9226 3.2E3
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213.9156 3.4E4
214.9156 2.5E5
214.9461 2.8E3
242.9013 9.7E3
259.8982 2.4E3
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
61.9869 5.0E4
69.9788 2.6E3
82.0572 2.3E3
96.8894 9.4E3
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165.9268 3.2E4
193.8849 3.6E3
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239.9026 1.6E4
END IONS
BEGIN IONS
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MSLEVEL=2
50.1823 2.4E3
51.5247 2.4E3
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53.6302 2.4E3
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61.9806 9.2E3
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63.9911 1.6E4
69.4664 2.6E3
80.9630 4.8E3
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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
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59.7626 7.1E3
61.9805 1.8E4
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74.1385 6.5E3
80.9629 8.7E3
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195.9045 2.2E4
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213.9160 2.4E4
215.9193 1.0E5
243.8988 8.4E5
END IONS
BEGIN IONS
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MSLEVEL=2
51.5336 2.5E3
52.1000 2.3E3
57.0677 2.5E3
60.0996 2.8E3
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86.4147 2.2E3
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167.9225 2.1E4
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199.4791 2.8E3
213.9158 3.1E5
216.0847 2.5E3
224.9094 2.2E3
241.8980 1.2E4
END IONS
BEGIN IONS
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MSLEVEL=2
61.9869 9.5E4
62.5956 2.4E3
90.8386 2.4E3
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103.9187 3.5E5
121.9582 2.4E3
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149.8941 3.3E3
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167.9225 1.3E4
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213.8858 3.2E3
213.8913 4.3E3
213.9159 2.4E5
222.7294 2.8E3
241.8991 9.0E3
END IONS
BEGIN IONS
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MSLEVEL=2
50.5924 2.4E3
54.6965 2.3E3
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61.9870 1.6E5
62.0769 2.3E3
96.8914 3.2E3
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113.7167 2.1E3
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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
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MSLEVEL=2
51.5139 2.7E3
61.9871 4.3E5
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116.9922 2.2E3
141.0119 2.4E3
146.9640 2.0E3
156.3178 2.0E3
END IONS
BEGIN IONS
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MSLEVEL=2
57.9923 4.0E3
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86.0000 4.6E4
86.0063 1.4E5
86.0127 3.4E3
96.8871 2.9E3
100.8196 2.1E3
END IONS
BEGIN IONS
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MSLEVEL=2
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236.9312 3.2E4
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264.9149 9.9E3
END IONS
BEGIN IONS
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MSLEVEL=2
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56.8220 2.3E3
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61.9870 2.6E5
73.6945 3.0E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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57.5040 2.3E3
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66.4048 2.3E3
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287.9319 5.2E3
END IONS
BEGIN IONS
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84.9370 6.2E3
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END IONS
BEGIN IONS
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END IONS
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311.4578 3.3E3
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414.4096 2.5E3
647.8411 2.7E3
958.1759 2.4E3
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END IONS
BEGIN IONS
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122.8926 3.6E5
168.8854 8.9E4
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END IONS
BEGIN IONS
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51.5227 3.9E3
96.8897 5.1E3
103.9187 8.9E4
104.0243 8.8E3
END IONS
BEGIN IONS
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57.9920 5.3E5
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85.0028 1.1E7
87.0542 3.4E4
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END IONS
BEGIN IONS
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MSLEVEL=2
57.9920 3.5E5
68.0000 3.3E4
85.0028 6.7E6
96.8898 2.7E4
END IONS
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62.8055 5.2E3
84.2668 5.6E3
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95.8895 5.8E3
96.8888 8.4E3
104.0238 9.9E3
END IONS
BEGIN IONS
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224.7749 2.8E3
335.0422 2.0E4
353.0518 2.2E4
437.3908 2.9E3
503.0840 2.2E4
END IONS
BEGIN IONS
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57.9920 5.2E5
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85.0028 1.0E7
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96.8858 3.6E4
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END IONS
BEGIN IONS
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76.9091 2.4E3
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310.9475 3.2E3
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END IONS
BEGIN IONS
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59.0234 1.1E4
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70.0264 2.5E3
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72.0073 4.7E3
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157.0505 6.8E3
157.1219 5.0E3
176.6004 2.3E3
END IONS
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52.6838 3.9E4
57.9920 7.0E5
60.4658 4.3E4
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78.1566 3.6E4
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85.0028 1.3E7
85.0135 8.3E4
86.6377 3.8E4
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101.4990 3.6E4
END IONS
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53.9997 3.8E3
62.6204 3.9E3
65.1892 4.0E3
67.2778 4.1E3
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68.5970 4.5E3
72.6378 5.8E3
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96.8881 1.8E4
96.8938 8.3E3
104.0239 1.3E4
END IONS
BEGIN IONS
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51.5130 5.8E3
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96.8885 1.9E4
103.9187 1.8E5
104.0249 9.3E3
END IONS
BEGIN IONS
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MSLEVEL=2
61.9869 1.3E5
61.9910 4.6E3
62.9986 2.1E3
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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
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82.1568 3.6E3
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263.0499 2.8E3
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287.0567 1.9E4
343.0665 1.5E4
449.1100 3.2E5
END IONS
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51.5421 2.5E3
56.4756 2.7E3
60.4897 2.4E3
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63.1466 2.4E3
73.1185 2.4E3
73.5042 2.3E3
78.3173 2.0E3
81.0332 2.2E4
83.0486 3.2E3
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88.3954 2.3E3
93.0334 5.7E3
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96.8898 3.3E3
107.0122 6.6E3
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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
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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
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95.0122 4.4E3
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101.0229 7.5E3
110.4815 2.2E3
113.0231 7.1E3
184.7259 2.4E3
190.7340 2.3E3
END IONS
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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
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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
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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
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SCANS=658
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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
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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
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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
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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
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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
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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
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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
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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
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SCANS=667
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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
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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
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95.0122 3.0E3
97.0281 1.0E4
99.0071 2.1E4
101.0229 5.7E4
111.0070 4.8E3
113.0226 1.3E4
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123.0072 2.7E3
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155.0329 1.0E4
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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
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MSLEVEL=2
50.5986 3.3E4
51.5146 2.8E4
51.5171 4.1E4
57.9920 6.1E5
59.9906 3.6E4
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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
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SCANS=670
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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
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155.0340 7.8E3
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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
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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
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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
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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
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SCANS=673
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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
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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
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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
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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
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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
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SCANS=678
RTINSECONDS=284.284
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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
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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
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RTINSECONDS=285.49
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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
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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
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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
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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
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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
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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
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SCANS=686
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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
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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
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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
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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
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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
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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
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SCANS=693
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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
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SCANS=694
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CHARGE=1-
MSLEVEL=2
51.3219 1.4E4
52.6485 1.2E4
52.7800 1.2E4
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53.8392 1.3E4
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55.2060 1.2E4
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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
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MSLEVEL=2
51.5382 2.7E3
72.4382 4.4E3
96.8856 9.1E3
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128.9577 1.2E5
130.9556 5.6E4
170.3479 2.2E3
227.9154 2.6E3
END IONS
BEGIN IONS
FEATURE_ID=696
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SCANS=696
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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
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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
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MSLEVEL=2
52.1073 3.9E4
57.9920 6.9E5
85.0028 1.2E7
96.8896 5.5E4
END IONS
BEGIN IONS
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MSLEVEL=2
52.1073 3.9E4
57.9920 6.9E5
85.0028 1.2E7
96.8896 5.5E4
END IONS
BEGIN IONS
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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
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53.5422 3.6E3
60.4719 3.7E3
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72.8393 4.8E3
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86.6797 4.2E3
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96.8881 2.1E4
103.3866 3.5E3
104.0242 1.1E4
106.9548 3.8E3
END IONS
BEGIN IONS
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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
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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
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MSLEVEL=2
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59.0124 1.3E5
60.4595 2.0E3
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72.5881 1.9E3
76.0049 1.6E4
76.1231 2.7E3
98.1401 2.0E3
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103.0288 1.9E3
END IONS
BEGIN IONS
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73.9640 6.5E3
74.0876 6.4E3
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86.6596 6.1E3
96.8870 1.9E4
96.8927 9.2E3
104.0240 2.1E4
108.3143 6.2E3
END IONS
BEGIN IONS
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90.4219 2.1E3
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163.0006 2.3E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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210.9940 2.4E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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85.0008 1.4E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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224.9816 5.4E3
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END IONS
BEGIN IONS
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END IONS
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75.6889 2.5E3
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266.9621 6.1E3
280.9770 6.6E4
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END IONS
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FEATURE_ID=714
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55.9031 2.6E3
60.0774 2.6E3
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90.9701 2.6E3
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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
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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
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152.9845 1.2E4
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163.0483 6.5E3
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181.0576 2.1E5
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216.8376 2.8E4
216.9748 1.1E4
216.9948 3.3E3
217.0319 1.5E4
217.8378 8.3E3
END IONS
BEGIN IONS
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RTINSECONDS=296.807
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MSLEVEL=2
55.0134 4.6E3
57.0289 3.5E3
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59.0109 2.1E3
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62.0618 2.4E3
64.9966 3.1E3
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71.0071 1.1E5
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95.0054 5.1E3
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101.0155 1.6E5
101.0211 2.2E3
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115.0302 1.3E4
119.0251 1.9E4
119.1622 2.4E3
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131.0235 1.2E4
142.9807 3.5E4
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149.0334 3.1E3
155.0007 2.6E3
159.6582 2.5E3
161.0318 6.1E3
162.9860 3.2E4
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166.9803 6.6E3
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181.0576 1.4E6
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186.9852 1.2E4
206.9713 6.4E3
206.9902 6.6E3
226.9783 6.8E3
226.9978 3.5E3
END IONS
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FEATURE_ID=717
PEPMASS=295.0430
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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
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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
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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
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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
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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
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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
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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
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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
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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
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SCANS=765
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MSLEVEL=2
55.1688 4.2E4
57.9921 8.2E5
64.0992 4.2E4
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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
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96.8963 4.7E3
96.9515 1.7E5
96.9579 6.1E3
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114.9241 1.0E4
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176.8813 1.0E6
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194.9281 9.2E3
194.9931 4.9E3
195.0148 2.8E3
195.8907 1.5E5
END IONS
BEGIN IONS
FEATURE_ID=767
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SCANS=767
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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
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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
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MSLEVEL=2
51.5409 6.3E3
60.0157 6.7E3
70.3735 4.2E3
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86.6881 4.8E3
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104.0235 1.1E4
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111.3436 4.8E3
END IONS
BEGIN IONS
FEATURE_ID=769
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MSLEVEL=2
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57.9920 5.3E5
67.3740 3.3E4
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69.8535 4.1E4
71.4081 3.5E4
85.0027 1.2E7
85.0134 6.4E4
END IONS
BEGIN IONS
FEATURE_ID=770
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MSLEVEL=2
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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
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MSLEVEL=2
62.9580 3.1E5
64.4049 2.1E3
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95.0165 3.1E3
95.9853 3.4E3
END IONS
BEGIN IONS
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MSLEVEL=2
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124.5187 4.1E3
END IONS
BEGIN IONS
FEATURE_ID=773
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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
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MSLEVEL=2
51.8263 3.6E3
60.0159 4.7E3
83.1574 4.2E3
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96.8885 4.7E3
104.0236 8.5E3
END IONS
BEGIN IONS
FEATURE_ID=775
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MSLEVEL=2
52.0910 4.4E3
53.4855 4.2E3
56.1671 5.1E3
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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
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SCANS=776
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CHARGE=1-
MSLEVEL=2
62.9825 4.8E3
64.1921 2.3E3
84.7687 2.7E3
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142.9812 2.7E3
148.9923 2.8E3
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153.7399 2.4E3
154.9668 5.7E3
154.9800 1.9E5
154.9931 5.7E3
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170.9740 2.5E4
174.9693 3.1E3
174.9850 1.3E5
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242.9704 3.2E3
258.9824 4.7E3
282.9619 4.6E3
302.9670 2.0E4
END IONS
BEGIN IONS
FEATURE_ID=777
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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
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SCANS=778
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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
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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
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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
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MSLEVEL=2
50.5429 3.4E4
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55.2576 4.0E4
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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
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MSLEVEL=2
61.9821 2.6E3
68.8432 2.6E3
78.9516 6.4E3
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80.0428 2.8E3
80.9578 7.8E3
86.2354 2.8E3
92.9205 1.4E4
96.8974 3.4E3
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96.9414 2.2E4
96.9515 4.1E6
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114.9242 8.2E4
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148.9073 4.0E3
150.9048 2.9E3
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159.8799 7.2E3
174.9718 3.5E3
174.9870 8.2E3
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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
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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
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179.8946 1.3E4
179.9011 1.5E4
179.9196 3.6E3
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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
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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
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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
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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
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78.9174 4.4E5
80.8206 2.2E3
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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
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98.9472 1.7E5
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112.9948 3.8E3
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116.9186 1.5E6
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128.9849 4.4E3
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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
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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
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SCANS=790
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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
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SCANS=791
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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
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108.9807 4.1E3
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116.9109 5.2E3
132.9791 3.2E3
156.8774 2.2E3
160.9735 2.6E3
161.8770 5.1E3
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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
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CHARGE=1-
MSLEVEL=2
57.9920 5.7E5
68.0002 6.6E4
71.7847 3.3E4
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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
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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
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75.9775 2.0E3
78.9927 4.5E3
79.6908 1.9E3
80.9822 2.2E3
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92.9874 1.0E4
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102.9911 3.6E3
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106.9857 3.5E4
107.9889 2.4E3
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134.8539 1.5E4
136.8516 1.2E4
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170.8781 2.5E3
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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
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148.9063 4.2E3
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176.8813 5.4E5
176.9052 4.7E3
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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
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CHARGE=1-
MSLEVEL=2
53.7190 2.9E4
57.9920 5.1E5
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75.7626 3.2E4
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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
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SCANS=797
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MSLEVEL=2
51.2523 3.6E4
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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
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CHARGE=1-
MSLEVEL=2
50.5024 2.2E3
50.7981 2.2E3
55.6360 2.0E3
62.5443 2.2E3
65.0127 2.8E3
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96.8892 4.0E3
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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
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MSLEVEL=2
50.4623 2.4E3
51.4252 2.0E3
74.8198 2.7E3
78.9572 1.0E4
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87.4509 2.1E3
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92.1956 2.4E3
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96.8922 2.0E3
96.9586 8.3E5
97.5552 2.4E3
END IONS
BEGIN IONS
FEATURE_ID=800
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MSLEVEL=2
51.6535 2.0E3
58.8051 2.1E3
63.1093 2.0E3
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73.0281 8.2E3
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117.0272 1.1E4
END IONS
BEGIN IONS
FEATURE_ID=801
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MSLEVEL=2
51.5162 2.4E3
65.0130 2.1E4
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89.0129 2.7E5
96.8896 3.2E3
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END IONS
BEGIN IONS
FEATURE_ID=802
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MSLEVEL=2
52.4174 3.3E4
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74.0517 4.1E4
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END IONS
BEGIN IONS
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MSLEVEL=2
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63.8022 1.9E3
68.3577 2.1E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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MSLEVEL=2
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63.0169 2.1E3
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END IONS
BEGIN IONS
FEATURE_ID=806
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MSLEVEL=2
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76.3234 5.4E3
78.6888 4.4E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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MSLEVEL=2
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72.6040 3.4E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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96.8946 3.0E3
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100.9170 3.2E4
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117.0189 3.2E3
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END IONS
BEGIN IONS
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MSLEVEL=2
68.5451 2.4E3
73.8351 2.0E3
96.8960 3.0E3
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116.9185 3.1E3
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214.9974 4.3E3
END IONS
BEGIN IONS
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MSLEVEL=2
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85.0028 1.1E6
85.0116 3.4E3
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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
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MSLEVEL=2
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84.0438 3.4E3
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88.0388 3.2E3
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290.5590 2.6E3
316.3584 2.8E3
347.2726 3.4E3
446.0067 3.2E3
492.1843 5.1E4
END IONS
BEGIN IONS
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51.5116 3.1E4
57.9921 4.7E5
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85.0028 9.7E6
85.0132 5.6E4
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96.8894 4.2E4
100.2445 2.7E4
END IONS
BEGIN IONS
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MSLEVEL=2
56.7137 2.2E3
65.0731 2.4E3
67.7834 2.0E3
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71.3791 2.4E3
89.0230 2.6E3
96.8865 2.6E3
96.8917 2.3E3
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143.1192 2.6E3
174.9925 2.6E3
187.1086 5.6E3
201.2108 2.1E3
210.2644 2.1E3
END IONS
BEGIN IONS
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51.5343 2.1E3
54.6052 2.2E3
57.5654 2.1E3
59.0124 1.2E4
60.9371 2.6E3
61.6497 2.0E3
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65.4111 2.2E3
71.0126 8.8E3
78.4292 2.4E3
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96.8864 4.1E3
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101.0232 3.8E3
119.0335 2.5E3
159.1334 2.1E3
215.0112 4.3E3
215.0324 7.9E3
END IONS
BEGIN IONS
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MSLEVEL=2
57.9920 5.7E5
85.0028 1.1E7
96.8902 4.4E4
END IONS
BEGIN IONS
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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
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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
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MSLEVEL=2
51.5143 2.3E3
57.0331 7.1E3
68.9942 6.0E4
74.0516 2.6E3
84.0200 5.6E3
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85.0027 4.1E3
85.0278 3.3E4
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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
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RTINSECONDS=335.102
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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
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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
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RTINSECONDS=335.121
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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RTINSECONDS=352.934
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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
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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
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PEPMASS=248.9421
SCANS=857
RTINSECONDS=353.164
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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
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PEPMASS=452.9205
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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
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RTINSECONDS=353.717
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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SCANS=873
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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
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SCANS=874
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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
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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
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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
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SCANS=877
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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
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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
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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
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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
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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
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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
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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
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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
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MSLEVEL=2
53.7247 2.1E3
59.0124 1.7E5
68.2322 2.2E3
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76.0050 1.4E4
77.9231 2.4E3
96.8891 2.6E3
103.0160 3.5E4
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114.9623 2.1E3
117.9176 2.4E3
END IONS
BEGIN IONS
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MSLEVEL=2
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54.2126 2.0E3
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72.0076 2.6E4
74.0231 6.1E4
83.6293 2.0E3
96.8892 2.7E3
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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
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MSLEVEL=2
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57.9744 2.0E3
59.0123 1.2E4
85.0026 2.3E5
89.5315 2.3E3
96.8896 3.8E3
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162.2363 2.5E3
218.7963 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=886
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MSLEVEL=2
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68.0000 3.8E4
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85.0028 7.7E6
96.8895 2.8E4
END IONS
BEGIN IONS
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MSLEVEL=2
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71.0124 5.4E4
72.9917 6.6E3
89.0232 5.4E3
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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
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MSLEVEL=2
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84.9922 1.7E4
84.9944 1.3E4
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96.8904 3.5E3
127.7359 3.2E3
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END IONS
BEGIN IONS
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MSLEVEL=2
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57.9920 5.7E5
67.2136 3.6E4
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69.5519 3.5E4
85.0028 1.1E7
96.8911 4.3E4
END IONS
BEGIN IONS
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68.0001 3.5E4
76.7226 3.2E4
85.0028 9.4E6
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END IONS
BEGIN IONS
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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
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MSLEVEL=2
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92.5231 2.3E3
95.8393 2.5E3
96.8894 3.7E3
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155.3580 2.6E3
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201.8800 3.2E3
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219.8002 6.5E3
219.8449 1.2E6
220.8510 2.9E3
237.8562 3.5E3
255.8209 4.5E4
END IONS
BEGIN IONS
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MSLEVEL=2
51.5188 9.5E3
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91.3250 1.1E4
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96.8861 1.3E4
96.8912 2.3E4
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195.8475 2.6E4
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212.3021 1.2E4
216.7359 9.2E3
END IONS
BEGIN IONS
FEATURE_ID=894
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66.1582 1.2E4
67.6518 9.5E3
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94.1789 9.6E3
95.3303 1.1E4
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162.8660 2.4E4
165.9018 1.2E4
169.2439 1.0E4
197.7692 2.7E4
197.8071 5.0E6
END IONS
BEGIN IONS
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52.4193 4.2E3
56.3120 4.4E3
70.4450 3.9E3
74.3794 4.3E3
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149.2544 4.0E3
162.1432 4.8E3
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164.8638 4.8E3
199.7545 8.5E3
199.8045 2.2E6
199.8439 1.6E4
206.9399 4.5E3
END IONS
BEGIN IONS
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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
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164.8146 3.3E3
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166.8317 8.5E4
179.8964 2.6E3
184.8764 4.6E3
201.8012 2.8E5
219.8452 9.6E3
END IONS
BEGIN IONS
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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
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118.8985 3.1E3
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153.8676 1.4E6
153.8937 9.2E3
154.0256 5.8E3
154.8663 3.4E3
170.9081 2.3E3
END IONS
BEGIN IONS
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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
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96.0442 9.6E3
96.8889 4.1E3
98.0592 2.3E4
110.2027 2.6E3
114.0542 3.1E3
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125.8723 3.2E3
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159.8594 6.8E3
160.0240 2.8E3
160.0603 9.4E4
160.8133 1.3E4
160.8412 2.3E6
END IONS
BEGIN IONS
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57.0332 1.1E4
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59.0122 2.9E4
63.2409 2.8E3
65.0718 2.8E3
69.0330 2.6E4
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72.6816 2.5E3
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81.0328 2.8E3
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85.0278 1.5E5
87.0072 6.7E5
95.0118 2.5E4
96.8891 9.9E3
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157.0128 5.6E4
175.0231 3.1E5
217.0344 1.2E5
303.0724 7.3E4
321.0846 1.5E4
END IONS
BEGIN IONS
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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
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84.0439 5.9E4
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109.0389 1.3E4
111.0072 1.3E5
111.0548 3.1E5
128.0337 4.5E5
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129.0652 1.8E5
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146.0445 1.4E5
154.9462 2.9E4
155.0447 3.8E4
159.9849 3.2E3
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172.8413 1.1E5
172.9563 2.7E3
173.0555 9.5E4
173.0914 7.8E4
173.8419 4.3E3
END IONS
BEGIN IONS
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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
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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
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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
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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
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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
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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
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SCANS=952
RTINSECONDS=389.101
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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
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67.1939 3.7E3
71.0123 3.1E4
72.6867 3.4E3
74.8591 4.1E3
76.2285 3.6E3
85.7791 3.4E3
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96.8899 5.7E3
101.0230 1.7E4
113.0228 1.6E4
119.0330 2.0E4
136.2840 4.0E3
140.6095 4.2E3
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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
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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
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89.1577 4.2E3
96.8899 7.1E3
104.0177 3.8E3
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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
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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
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PEPMASS=102.0080
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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
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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
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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
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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
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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
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PEPMASS=683.2252
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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PEPMASS=85.0000
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RTINSECONDS=396.967
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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
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CHARGE=1-
MSLEVEL=2
51.1731 2.2E3
54.2636 2.0E3
54.7037 2.2E3
56.6136 2.0E3
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66.0064 1.9E3
66.0361 2.0E3
68.9941 5.1E4
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71.0228 2.0E3
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85.0386 4.9E3
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97.0149 3.2E3
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112.9979 1.4E4
113.0220 2.9E3
113.0339 1.1E5
113.0442 2.3E3
114.0177 2.5E3
END IONS
BEGIN IONS
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CHARGE=1-
MSLEVEL=2
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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
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MSLEVEL=2
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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
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MSLEVEL=2
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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
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MSLEVEL=2
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57.9921 6.3E5
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85.0029 1.2E7
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94.6224 3.1E4
96.8877 9.0E4
END IONS
BEGIN IONS
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MSLEVEL=2
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51.5176 2.4E3
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96.8861 2.7E3
96.9585 3.1E5
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107.7891 2.1E3
END IONS
BEGIN IONS
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MSLEVEL=2
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60.4979 3.6E3
65.9064 5.1E3
71.9963 4.1E3
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97.1204 4.3E3
104.0243 8.6E3
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116.5581 4.2E3
END IONS
BEGIN IONS
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MSLEVEL=2
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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
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MSLEVEL=2
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64.1407 2.6E3
69.8214 2.2E3
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80.3327 2.6E3
96.8852 5.1E3
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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
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MSLEVEL=2
57.0332 2.9E4
59.0122 3.7E3
61.3993 2.4E3
67.0176 4.4E3
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85.0278 1.7E5
87.0070 2.6E5
96.8901 4.4E3
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173.0071 1.3E4
191.0186 9.0E4
191.0553 1.0E4
END IONS
BEGIN IONS
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MSLEVEL=2
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59.0126 2.2E3
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62.5898 2.1E3
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73.1820 2.6E3
85.0274 3.5E3
87.0074 3.6E3
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157.0401 2.3E3
164.5228 2.3E3
166.8705 2.4E3
END IONS
BEGIN IONS
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MSLEVEL=2
50.7328 2.4E3
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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
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85.0278 9.3E3
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117.1641 8.0E3
128.0335 3.8E5
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146.0442 1.7E5
157.2952 7.5E3
END IONS
BEGIN IONS
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MSLEVEL=2
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53.0132 2.2E3
57.0332 1.9E4
62.2401 2.1E3
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74.6271 2.3E3
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85.0278 1.0E5
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190.3054 2.6E3
191.0185 5.3E4
191.0548 5.6E3
205.8198 2.5E3
END IONS
BEGIN IONS
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57.8160 2.0E3
64.5639 1.9E3
76.0061 2.2E3
84.3820 2.1E3
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106.0198 2.0E3
111.5260 1.9E3
128.0111 3.5E4
128.0333 5.5E4
145.7244 2.4E3
END IONS
BEGIN IONS
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MSLEVEL=2
59.0126 9.5E3
61.4156 9.1E3
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71.0068 1.1E4
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72.9916 1.5E5
87.0071 1.1E4
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115.0021 1.4E6
116.8665 9.4E3
132.8667 4.8E4
133.0126 3.2E5
137.4126 7.8E3
END IONS
BEGIN IONS
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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
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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
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102.0546 1.1E4
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141.8813 2.2E3
145.0603 3.6E4
146.0442 2.5E3
161.0093 2.5E3
163.0687 2.0E3
END IONS
BEGIN IONS
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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
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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
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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
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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
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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
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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
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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
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60.0165 2.5E3
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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
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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
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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
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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
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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
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SCANS=1062
RTINSECONDS=428.682
CHARGE=1-
MSLEVEL=2
60.4631 4.3E3
104.0234 8.4E3
END IONS
BEGIN IONS
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PEPMASS=193.0050
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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
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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
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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
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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
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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
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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
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FEATURE_ID=1069
PEPMASS=191.0188
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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
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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
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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
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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
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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
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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
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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
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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
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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
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PEPMASS=133.0125
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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
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PEPMASS=214.0480
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RTINSECONDS=444.979
CHARGE=1-
MSLEVEL=2
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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
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PEPMASS=85.0059
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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
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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
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85.0029 6.5E3
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87.0070 2.0E4
89.0227 1.1E4
96.8876 6.4E3
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129.0177 5.8E4
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159.0282 2.7E4
177.0395 8.6E3
194.9042 2.8E3
195.0500 1.6E5
212.6842 2.1E3
END IONS
BEGIN IONS
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PEPMASS=104.0272
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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
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PEPMASS=85.0000
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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
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115.0021 1.9E4
127.0023 7.1E3
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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
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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
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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
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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
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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
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RTINSECONDS=451.411
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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
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PEPMASS=85.0057
SCANS=1107
RTINSECONDS=453.451
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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
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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
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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
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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
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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
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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
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PEPMASS=104.0272
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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
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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
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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
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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
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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
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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
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PEPMASS=85.0059
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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
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PEPMASS=103.0130
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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
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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
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PEPMASS=84.9962
SCANS=1191
RTINSECONDS=551.099
CHARGE=1-
MSLEVEL=2
57.9920 3.3E5
81.6506 2.2E4
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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
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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
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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
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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
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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
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PEPMASS=104.0295
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RTINSECONDS=558.727
CHARGE=1-
MSLEVEL=2
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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
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PEPMASS=192.9977
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RTINSECONDS=560.022
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MSLEVEL=2
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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
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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
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PEPMASS=193.0049
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RTINSECONDS=562.465
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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
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RTINSECONDS=563.176
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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
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PEPMASS=192.9977
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RTINSECONDS=565.715
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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
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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
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PEPMASS=169.9799
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RTINSECONDS=569.271
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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
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PEPMASS=85.0000
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RTINSECONDS=569.671
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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
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PEPMASS=193.0052
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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
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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
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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
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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
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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
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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
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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
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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
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PEPMASS=289.9485
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RTINSECONDS=659.609
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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
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145.3689 2.4E3
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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
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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
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RTINSECONDS=664.562
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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
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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
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RTINSECONDS=667.715
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MSLEVEL=2
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64.0476 2.0E3
66.7634 2.1E3
76.0054 7.9E3
85.8387 1.9E3
96.8867 2.6E3
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103.0158 1.9E4
104.3337 2.0E3
END IONS
BEGIN IONS
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MSLEVEL=2
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57.9921 3.4E5
65.7353 2.1E4
70.1907 2.0E4
85.0028 6.2E6
96.8888 2.9E4
END IONS
BEGIN IONS
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RTINSECONDS=669.683
CHARGE=1-
MSLEVEL=2
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74.8101 2.8E3
84.9890 5.9E3
84.9921 1.3E4
84.9945 9.4E3
85.0028 2.1E6
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145.3083 2.7E3
176.7332 2.6E3
192.9971 3.1E3
193.0864 8.8E3
205.7190 2.6E3
END IONS
BEGIN IONS
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PEPMASS=85.0000
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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
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MSLEVEL=2
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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
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138.1068 2.4E3
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151.0886 2.2E3
188.4747 2.5E3
193.0865 8.9E3
194.7238 2.4E3
197.7429 2.3E3
END IONS
BEGIN IONS
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PEPMASS=96.9585
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RTINSECONDS=675.395
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MSLEVEL=2
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56.7877 2.0E3
65.2326 2.4E3
78.9574 1.4E5
78.9631 3.7E3
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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
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PEPMASS=84.9976
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RTINSECONDS=676.708
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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
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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
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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
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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
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PEPMASS=84.9976
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RTINSECONDS=684.537
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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
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RTINSECONDS=684.583
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MSLEVEL=2
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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
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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
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PEPMASS=191.0180
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RTINSECONDS=690.726
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MSLEVEL=2
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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
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PEPMASS=192.9977
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RTINSECONDS=692.673
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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
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110.7923 2.9E3
152.5014 3.1E3
165.5617 2.3E3
193.0870 7.7E3
211.6239 2.4E3
END IONS
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PEPMASS=191.0184
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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
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PEPMASS=84.9975
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RTINSECONDS=695.394
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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
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PEPMASS=85.0000
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RTINSECONDS=696.334
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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
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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
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80.9553 2.5E3
104.0241 7.2E3
104.0940 3.1E3
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96.8881 1.4E4
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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
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68.0000 2.2E4
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85.0029 7.2E6
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85.0135 4.5E4
85.0281 9.3E3
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214.3526 2.5E3
268.8730 2.3E3
270.7217 2.5E3
276.9186 2.7E3
304.9147 2.7E4
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1310,192.99753841644028,11.161377,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3403088.0,0.0,0.0,1126859.8,854372.2,0.0,1300835.9,0.0,0.0,0.0,0.0,0.0,0.0,756965.75,0.0,0.0,0.0,0.0,588307.4,0.0,0.0,1285888.6,3222265.0,0.0,0.0,1161514.4,624448.2,0.0,0.0,0.0,0.0,1402283.8,0.0,0.0,0.0,2322694.8,0.0,538061.7,
1311,84.9999840370216,11.173993,height,,,,,,,,,,,0.0,0.0,0.0,0.0,111762.516,0.0,135908.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,126011.03,0.0,0.0,0.0,
1312,193.00523559598625,11.177195,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97696.52,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70728.945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1313,96.95848330667954,11.2565775,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1002130.56,0.0,0.0,0.0,0.0,0.0,936131.25,0.0,1077606.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1072172.2,0.0,0.0,0.0,1000103.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1314,84.99761909367858,11.278473,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,114276.62,132600.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,103598.65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,105750.98,
1315,193.0053890453804,11.322409,height,,,,,,,,,,,86932.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,70091.47,0.0,0.0,0.0,
1316,85.00001917671766,11.335128,height,,,,,,,,,,,0.0,0.0,0.0,0.0,164304.92,0.0,164894.55,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,182329.33,96962.68,128012.88,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,117105.2,0.0,0.0,179238.11,0.0,
1317,96.95850046090116,11.3736725,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,951330.1,0.0,960612.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1318,84.997589701271,11.408951,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,132372.58,0.0,117488.64,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72605.12,0.0,0.0,91321.61,0.0,80012.734,0.0,0.0,0.0,0.0,0.0,0.0,0.0,88400.086,0.0,0.0,0.0,100677.18,0.0,88704.49,0.0,0.0,0.0,0.0,110851.86,
1319,191.0180861589463,11.409723,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,437008.38,269924.44,0.0,0.0,253254.61,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,126531.76,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53368.215,0.0,0.0,0.0,0.0,
1320,84.99980717000602,11.469478,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,163808.47,0.0,130452.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,129641.68,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,159957.66,0.0,229891.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1321,191.0179965244491,11.512101,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362491.44,0.0,0.0,0.0,0.0,0.0,332717.72,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,128971.64,0.0,221523.6,0.0,0.0,0.0,0.0,0.0,324191.28,0.0,0.0,0.0,0.0,56577.34,0.0,0.0,0.0,0.0,
1322,192.9976870574309,11.544554,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1203838.0,0.0,0.0,0.0,0.0,3316264.8,0.0,
1323,191.0184133870254,11.573254,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,327643.94,0.0,371416.8,382429.94,318294.12,348498.8,0.0,290113.94,319590.38,0.0,0.0,0.0,0.0,259262.98,527714.06,316607.12,273320.47,347479.16,355138.94,305506.62,339134.72,0.0,381963.84,0.0,0.0,316438.9,282861.3,400501.38,629843.2,0.0,348327.0,376443.03,331556.62,485977.47,0.0,0.0,439629.94,0.0,680456.5,
1324,84.99747587887303,11.5899,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,74500.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,80547.52,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,88307.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1325,85.00001555116896,11.605562,height,,,,,,,,,,,0.0,0.0,0.0,0.0,150248.83,0.0,0.0,0.0,186645.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146711.81,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,199732.7,0.0,0.0,0.0,0.0,0.0,0.0,
1326,191.0178106052317,11.64722,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,230900.73,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1327,192.99747069536,11.691959,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1607430.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1328,104.02725513527236,11.712691,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,71635.85,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1329,174.95563347837913,11.759483,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,5710079.0,5710882.0,5797934.5,5880444.0,6215576.5,5158808.0,6030009.0,6476896.5,5666647.5,5703845.5,5805487.0,5751098.5,5987505.5,6243202.0,6458483.5,6257890.0,5676960.5,6270868.0,5865821.0,6645422.0,5893229.5,6551564.0,6728379.5,5938169.5,6842134.0,5709875.5,6360300.5,6268986.0,6629578.0,5822219.5,5655963.0,6123850.5,5398970.5,6423424.0,7144308.5,7166849.5,6266555.0,6953751.5,6291581.5,
1330,84.99997776952927,11.760391,height,,,,,,,,,,,161560.7,0.0,0.0,0.0,0.0,0.0,200135.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,204921.48,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,217278.78,0.0,
1331,304.9140259409222,11.762474,height,,,,,,,,,,,213031.02,0.0,205598.17,244042.77,225086.73,0.0,156859.66,157553.61,154063.25,127437.7,149660.31,153817.53,167307.81,140990.53,161695.42,152056.2,156215.72,152910.81,155357.94,164409.17,130988.32,141477.17,149936.08,149957.83,142995.2,161759.12,174904.89,214737.08,162690.77,160667.69,202387.38,138719.31,140467.12,146579.69,141259.16,160012.19,148007.25,142728.89,150094.3,129144.53,202975.22,215815.0,148949.84,196428.38,140713.1,
1332,84.99753590477381,11.766397,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,95082.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,95324.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,85829.52,0.0,0.0,0.0,0.0,0.0,0.0,85773.37,
1333,174.96271780644037,11.84507,height,,,,,,,,,,,0.0,0.0,131306.6,0.0,0.0,0.0,114015.305,0.0,0.0,127229.39,0.0,0.0,0.0,0.0,144264.33,0.0,0.0,0.0,0.0,0.0,0.0,129071.445,113886.414,0.0,0.0,83133.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,112790.945,0.0,128040.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,80348.63,
1334,193.00480551722248,11.854538,height,,,,,,,,,,,95685.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,84397.83,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86519.445,0.0,
1335,84.99751403078383,11.918625,height,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,72653.984,0.0,0.0,0.0,93819.99,0.0,87411.305,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,105004.3,0.0,0.0,0.0,0.0,0.0,0.0,87130.055,
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.tsv 0000644 0000000 0000000 00000000001 14652135335 014770 0 ustar root root
nf_output/IQAMDB.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 014040 0 ustar root root
nf_output/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 020276 0 ustar root root
nf_output/GNPS-NIST14-MATCHES.mgf.tsv 0000644 0000000 0000000 00000000001 14652135336 015655 0 ustar root root
nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 017077 0 ustar root root
nf_output/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135337 021533 0 ustar root root
nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14652135336 022157 0 ustar root root
nf_output/HCE-CELL-LYSATE-LIPIDS.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 016200 0 ustar root root
nf_output/BMDMS-NP.mgf.tsv 0000644 0000000 0000000 00000000001 14652135341 014255 0 ustar root root
nf_output/GNPS-NUTRI-METAB-FEM-NEG.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 016413 0 ustar root root
nf_output/UM-NPDC.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 014146 0 ustar root root
nf_output/BIRMINGHAM-UHPLC-MS-NEG.mgf.tsv 0000644 0000000 0000000 00000000001 14652135335 016315 0 ustar root root
nf_output/MASSBANK.mgf.tsv 0000644 0000000 0000000 00000000001 14652135337 014304 0 ustar root root
nf_output/MONA.mgf.tsv 0000644 0000000 0000000 00000000001 14652135352 013634 0 ustar root root
nf_output/networking/ 0000755 0000000 0000000 00000000000 14652135745 014002 5 ustar root root nf_output/networking/clustersummary_with_network.tsv 0000644 0000000 0000000 00000176606 14652135743 022461 0 ustar root root cluster 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
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1198 104.02947988429632 9.312121 0.0 -1
1199 192.9976863138289 9.3337 0.0 2
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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
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1218 84.99999552467283 9.760493 0.0 96
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1220 84.99732957210031 9.814279 0.0 -1
1221 205.03474202714355 9.845625 0.0 80
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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
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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
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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
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1247 205.03393023525595 10.097935 0.0 80
1248 191.02756245589123 10.098237 0.0 39 1248.0 CITRIC ACID
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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
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1268 191.02739157173025 10.578787 0.0 39 1268.0 CITRIC ACID
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1270 84.99777112169394 10.631306 0.0 -1
1271 192.9973722172469 10.636892 0.0 -1
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1273 112.98411575909256 10.72752 0.0 18
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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
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1281 112.98391229507978 10.82852 0.0 -1
1282 133.01235562829092 10.849402 0.0 28
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1288 191.0193807400778 10.924061 0.0 6 1288.0 Citric acid
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1290 84.99543615003896 10.950349 0.0 234
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1294 158.9778102921241 10.98621 0.0 52
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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
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1304 289.948549293894 10.993488 0.0 36
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1306 84.99753994030777 11.076026 0.0 -1
1307 169.9798236815123 11.12169 0.0 94
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1309 84.99755601415455 11.152321 0.0 -1
1310 192.99753841644028 11.161377 0.0 2
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1312 193.00523559598625 11.177195 0.0 -1
1313 96.95848330667954 11.2565775 0.0 21
1314 84.99761909367858 11.278473 0.0 -1
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1316 85.00001917671766 11.335128 0.0 -1
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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
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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.tsv 0000644 0000000 0000000 00000700675 14652135347 017216 0 ustar root root CLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3
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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
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nf_output/networking/filtered_pairs.tsv 0000644 0000000 0000000 00000064535 14652135350 017541 0 ustar root root CLUSTERID1 CLUSTERID2 ComponentIndex Cosine DeltaMZ
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483 484 32 0.7423 7.982
483 490 32 0.9348 -0.001
483 492 32 0.7676 53.988
490 492 32 0.7311 53.989
98 100 32 0.818 -0.001
484 490 32 0.7315 -7.982
328 550 33 0.984 0.008
471 550 33 0.9839 0.000
476 550 33 0.9866 0.006
480 550 33 0.9839 0.003
521 550 33 0.9898 0.000
540 550 33 0.9861 0.010
550 595 33 0.9897 -0.008
450 456 33 0.9884 0.007
453 456 33 0.9884 0.003
456 650 33 0.972 -26.015
432 471 33 0.9857 0.008
450 471 33 0.9892 0.004
453 471 33 0.9892 0.000
471 473 33 0.9887 0.003
471 480 33 1.0 -0.003
471 503 33 0.987 0.000
471 539 33 0.9855 -0.007
471 595 33 0.9866 -0.008
471 666 33 0.9807 -0.007
432 473 33 0.9895 0.011
450 473 33 0.9939 0.007
453 473 33 0.9939 0.003
473 476 33 0.9927 -0.009
473 480 33 0.9887 -0.006
473 514 33 0.9887 -0.012
473 539 33 0.9909 -0.010
473 595 33 0.9901 -0.011
473 666 33 0.9892 -0.011
432 514 33 0.9859 -0.001
450 514 33 0.9899 -0.004
453 514 33 0.9899 -0.008
476 514 33 0.9913 -0.002
503 514 33 0.985 -0.009
514 539 33 0.9854 0.002
514 595 33 0.9853 0.001
514 666 33 0.9817 0.001
432 476 33 0.9922 0.002
450 476 33 0.9959 -0.002
453 476 33 0.9959 -0.006
476 539 33 0.9923 -0.001
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.graphml 0000644 0000000 0000000 00003066762 14652135745 021340 0 ustar root root
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
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
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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
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-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
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-41
0.9147
0
945
810
89
Cosine
0.9147
0.0
0
0.9298
0
10
405
203
Cosine
0.9298
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0
0.9756
0
1224
1235
28
Cosine
0.9756
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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
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0
0.9693
0
1224
1094
28
Cosine
0.9693
-0.0
0
0.9649
0
1224
1046
28
Cosine
0.9649
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0
0.9794
0
1224
1068
28
Cosine
0.9794
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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
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0
0.9877
0
534
250
11
Cosine
0.9877
0.018
0
0.9853
0
534
584
11
Cosine
0.9853
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0
0.9947
0
1129
1260
2
Cosine
0.9947
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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
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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
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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
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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
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-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
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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
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-15
0.7801
0
1153
1009
4
Cosine
0.7801
0.0
0
0.9601
0
1153
1097
4
Cosine
0.9601
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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
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0
0.9854
0
1232
921
39
Cosine
0.9854
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0
0.9822
0
1232
994
39
Cosine
0.9822
-0.008
0
0.9853
0
1232
1019
39
Cosine
0.9853
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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
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-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
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-2
0.7727
0
566
619
87
Cosine
0.7727
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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
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-160
0.8886
0
741
961
14
Cosine
0.8886
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0
0.937
0
741
719
14
Cosine
0.937
2.017
2
0.8493
0
741
750
14
Cosine
0.8493
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-132
0.8309
0
741
844
14
Cosine
0.8309
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0
0.9599
0
741
739
14
Cosine
0.9599
-0.013
0
0.9585
0
741
709
14
Cosine
0.9585
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-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
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0
0.9872
0
515
347
11
Cosine
0.9872
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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
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-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
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0
0.9896
0
311
1196
117
Cosine
0.9896
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0
0.9938
0
1275
1226
11
Cosine
0.9938
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0
0.9928
0
1275
210
11
Cosine
0.9928
0.006
0
0.9942
0
1275
526
11
Cosine
0.9942
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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
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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
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-18
0.9562
0
1298
1329
52
Cosine
0.9562
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-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
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-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
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-16
0.7797
0
1304
1300
36
Cosine
0.7797
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-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
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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
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0
0.9339
0
1120
601
28
Cosine
0.9339
0.0
0
0.927
0
1282
16
28
Cosine
0.927
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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
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0
0.9927
0
289
1293
11
Cosine
0.9927
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0
0.9912
0
289
1181
11
Cosine
0.9912
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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
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0
0.9952
0
289
362
11
Cosine
0.9952
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0
0.9929
0
289
1112
11
Cosine
0.9929
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-46
0.8481
0
980
1142
29
Cosine
0.8481
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0
0.7153
0
980
1030
29
Cosine
0.7153
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-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
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0
0.9936
0
53
263
11
Cosine
0.9936
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0
0.989
0
53
115
11
Cosine
0.989
0.001
0
0.9777
0
1121
1119
56
Cosine
0.9777
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-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
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0
0.9441
0
739
709
14
Cosine
0.9441
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-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
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0
0.9883
0
914
901
13
Cosine
0.9883
0.0
0
0.9916
0
1192
1143
2
Cosine
0.9916
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-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
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-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
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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
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-1
0.7148
0
58
398
17
Cosine
0.7148
0.0
0
0.8806
0
58
33
17
Cosine
0.8806
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-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
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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
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0
0.9182
0
246
75
92
Cosine
0.9182
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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
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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
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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
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-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
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-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
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-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
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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
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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